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+ -174:sc= 1.17 (180deg=0.951) USER MOD Single : A 13 TYR OH : rot 161:sc= 0.137 USER MOD Single : A 18 CYS SG : rot 150:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-2) USER MOD Single : A 21 CYS SG : rot 180:sc= 0.012 USER MOD Single : A 24 MET CE :methyl 157:sc= -0.371 (180deg=-1.42) USER MOD Single : A 27 SER OG : rot 80:sc= 1.27 USER MOD Single : A 32 GLN : amide:sc= -2.55 K(o=-2.6,f=-9.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc=-0.00405 (180deg=-0.103) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.05 K(o=1,f=-0.047) USER MOD Single : A 47 ASN : amide:sc= 0.188 K(o=0.19,f=-9.3!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 57:sc= 0.216 USER MOD Single : A 54 TYR OH : rot -163:sc= 1.24 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 65 ASN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.887) USER MOD Single : A 71 CYS SG : rot -170:sc= -0.046 USER MOD Single : A 72 HIS : no HD1:sc= -0.283 X(o=-0.28,f=0.053) USER MOD Single : A 73 TYR OH : rot 180:sc= -2.08! USER MOD Single : A 77 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 83 TYR OH : rot 45:sc= 0.669 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 6 4.150 17.943 2.706 1.00 20.02 N ATOM 73 CA GLU A 6 5.033 16.909 2.197 1.00 4.14 C ATOM 74 C GLU A 6 4.225 15.628 1.949 1.00 51.12 C ATOM 75 O GLU A 6 3.069 15.543 2.370 1.00 64.43 O ATOM 76 CB GLU A 6 6.166 16.690 3.205 1.00 72.12 C ATOM 77 CG GLU A 6 5.686 16.395 4.613 1.00 51.25 C ATOM 78 CD GLU A 6 6.818 16.422 5.618 1.00 3.23 C ATOM 79 OE1 GLU A 6 7.462 15.372 5.826 1.00 74.30 O ATOM 80 OE2 GLU A 6 7.086 17.500 6.193 1.00 21.11 O ATOM 0 HA GLU A 6 5.476 17.207 1.247 1.00 4.14 H new ATOM 0 HB2 GLU A 6 6.789 15.863 2.863 1.00 72.12 H new ATOM 0 HB3 GLU A 6 6.798 17.578 3.225 1.00 72.12 H new ATOM 0 HG2 GLU A 6 4.931 17.127 4.899 1.00 51.25 H new ATOM 0 HG3 GLU A 6 5.206 15.417 4.634 1.00 51.25 H new ATOM 85 N PRO A 7 4.791 14.621 1.254 1.00 54.22 N ATOM 86 CA PRO A 7 4.041 13.420 0.874 1.00 60.43 C ATOM 87 C PRO A 7 3.778 12.479 2.049 1.00 35.21 C ATOM 88 O PRO A 7 4.522 12.462 3.031 1.00 22.45 O ATOM 89 CB PRO A 7 4.948 12.751 -0.156 1.00 44.51 C ATOM 90 CG PRO A 7 6.320 13.169 0.229 1.00 23.31 C ATOM 91 CD PRO A 7 6.193 14.561 0.788 1.00 45.33 C ATOM 0 HA PRO A 7 3.049 13.670 0.498 1.00 60.43 H new ATOM 0 HB2 PRO A 7 4.842 11.666 -0.133 1.00 44.51 H new ATOM 0 HB3 PRO A 7 4.704 13.073 -1.168 1.00 44.51 H new ATOM 0 HG2 PRO A 7 6.741 12.489 0.970 1.00 23.31 H new ATOM 0 HG3 PRO A 7 6.988 13.155 -0.633 1.00 23.31 H new ATOM 0 HD2 PRO A 7 6.895 14.731 1.605 1.00 45.33 H new ATOM 0 HD3 PRO A 7 6.397 15.318 0.030 1.00 45.33 H new ATOM 96 N ARG A 8 2.719 11.694 1.931 1.00 61.24 N ATOM 97 CA ARG A 8 2.347 10.737 2.963 1.00 53.42 C ATOM 98 C ARG A 8 2.605 9.319 2.463 1.00 5.24 C ATOM 99 O ARG A 8 2.004 8.876 1.489 1.00 63.43 O ATOM 100 CB ARG A 8 0.885 10.947 3.367 1.00 35.13 C ATOM 101 CG ARG A 8 -0.092 10.906 2.207 1.00 73.15 C ATOM 102 CD ARG A 8 -1.408 11.562 2.585 1.00 34.44 C ATOM 103 NE ARG A 8 -1.357 13.024 2.455 1.00 72.30 N ATOM 104 CZ ARG A 8 -2.428 13.827 2.514 1.00 3.24 C ATOM 105 NH1 ARG A 8 -3.636 13.325 2.734 1.00 2.32 N ATOM 106 NH2 ARG A 8 -2.282 15.137 2.354 1.00 14.13 N ATOM 0 H ARG A 8 2.096 11.701 1.123 1.00 61.24 H new ATOM 0 HA ARG A 8 2.957 10.892 3.853 1.00 53.42 H new ATOM 0 HB2 ARG A 8 0.606 10.181 4.090 1.00 35.13 H new ATOM 0 HB3 ARG A 8 0.793 11.909 3.871 1.00 35.13 H new ATOM 0 HG2 ARG A 8 0.339 11.416 1.345 1.00 73.15 H new ATOM 0 HG3 ARG A 8 -0.268 9.872 1.911 1.00 73.15 H new ATOM 0 HD2 ARG A 8 -2.203 11.170 1.950 1.00 34.44 H new ATOM 0 HD3 ARG A 8 -1.661 11.299 3.612 1.00 34.44 H new ATOM 0 HE ARG A 8 -0.445 13.457 2.310 1.00 72.30 H new ATOM 0 HH11 ARG A 8 -3.755 12.320 2.860 1.00 2.32 H new ATOM 0 HH12 ARG A 8 -4.445 13.944 2.777 1.00 2.32 H new ATOM 0 HH21 ARG A 8 -1.356 15.530 2.187 1.00 14.13 H new ATOM 0 HH22 ARG A 8 -3.096 15.750 2.399 1.00 14.13 H new ATOM 117 N LYS A 9 3.520 8.622 3.122 1.00 22.23 N ATOM 118 CA LYS A 9 4.052 7.361 2.608 1.00 61.12 C ATOM 119 C LYS A 9 3.065 6.196 2.749 1.00 51.04 C ATOM 120 O LYS A 9 2.362 6.069 3.752 1.00 35.13 O ATOM 121 CB LYS A 9 5.359 7.028 3.330 1.00 22.13 C ATOM 122 CG LYS A 9 6.093 5.823 2.770 1.00 50.12 C ATOM 123 CD LYS A 9 7.285 5.446 3.637 1.00 33.05 C ATOM 124 CE LYS A 9 8.072 4.303 3.021 1.00 53.53 C ATOM 125 NZ LYS A 9 9.143 3.806 3.926 1.00 74.21 N ATOM 0 H LYS A 9 3.913 8.908 4.019 1.00 22.23 H new ATOM 0 HA LYS A 9 4.231 7.495 1.541 1.00 61.12 H new ATOM 0 HB2 LYS A 9 6.018 7.895 3.282 1.00 22.13 H new ATOM 0 HB3 LYS A 9 5.143 6.850 4.383 1.00 22.13 H new ATOM 0 HG2 LYS A 9 5.409 4.977 2.702 1.00 50.12 H new ATOM 0 HG3 LYS A 9 6.432 6.040 1.757 1.00 50.12 H new ATOM 0 HD2 LYS A 9 7.935 6.312 3.763 1.00 33.05 H new ATOM 0 HD3 LYS A 9 6.939 5.159 4.630 1.00 33.05 H new ATOM 0 HE2 LYS A 9 7.393 3.485 2.781 1.00 53.53 H new ATOM 0 HE3 LYS A 9 8.517 4.634 2.083 1.00 53.53 H new ATOM 0 HZ1 LYS A 9 9.718 3.098 3.427 1.00 74.21 H new ATOM 0 HZ2 LYS A 9 9.748 4.600 4.217 1.00 74.21 H new ATOM 0 HZ3 LYS A 9 8.713 3.372 4.768 1.00 74.21 H new ATOM 135 N LEU A 10 3.026 5.360 1.718 1.00 74.34 N ATOM 136 CA LEU A 10 2.269 4.117 1.738 1.00 53.14 C ATOM 137 C LEU A 10 3.202 2.918 1.696 1.00 1.34 C ATOM 138 O LEU A 10 4.264 2.963 1.065 1.00 65.51 O ATOM 139 CB LEU A 10 1.320 4.041 0.546 1.00 13.12 C ATOM 140 CG LEU A 10 0.023 4.832 0.683 1.00 44.32 C ATOM 141 CD1 LEU A 10 -0.741 4.802 -0.628 1.00 72.40 C ATOM 142 CD2 LEU A 10 -0.833 4.258 1.803 1.00 33.41 C ATOM 0 H LEU A 10 3.521 5.527 0.842 1.00 74.34 H new ATOM 0 HA LEU A 10 1.693 4.100 2.663 1.00 53.14 H new ATOM 0 HB2 LEU A 10 1.848 4.395 -0.339 1.00 13.12 H new ATOM 0 HB3 LEU A 10 1.069 2.995 0.370 1.00 13.12 H new ATOM 0 HG LEU A 10 0.266 5.866 0.929 1.00 44.32 H new ATOM 0 HD11 LEU A 10 -1.666 5.369 -0.523 1.00 72.40 H new ATOM 0 HD12 LEU A 10 -0.131 5.246 -1.415 1.00 72.40 H new ATOM 0 HD13 LEU A 10 -0.975 3.770 -0.889 1.00 72.40 H new ATOM 0 HD21 LEU A 10 -1.755 4.834 1.888 1.00 33.41 H new ATOM 0 HD22 LEU A 10 -1.073 3.218 1.581 1.00 33.41 H new ATOM 0 HD23 LEU A 10 -0.285 4.311 2.744 1.00 33.41 H new ATOM 153 N VAL A 11 2.807 1.853 2.370 1.00 11.51 N ATOM 154 CA VAL A 11 3.538 0.598 2.322 1.00 65.11 C ATOM 155 C VAL A 11 2.642 -0.504 1.774 1.00 71.31 C ATOM 156 O VAL A 11 1.466 -0.575 2.110 1.00 12.21 O ATOM 157 CB VAL A 11 4.065 0.187 3.718 1.00 4.11 C ATOM 158 CG1 VAL A 11 4.598 -1.236 3.700 1.00 34.32 C ATOM 159 CG2 VAL A 11 5.143 1.148 4.187 1.00 40.33 C ATOM 0 H VAL A 11 1.977 1.832 2.962 1.00 11.51 H new ATOM 0 HA VAL A 11 4.396 0.742 1.665 1.00 65.11 H new ATOM 0 HB VAL A 11 3.231 0.231 4.418 1.00 4.11 H new ATOM 0 HG11 VAL A 11 4.962 -1.501 4.693 1.00 34.32 H new ATOM 0 HG12 VAL A 11 3.800 -1.920 3.412 1.00 34.32 H new ATOM 0 HG13 VAL A 11 5.415 -1.309 2.982 1.00 34.32 H new ATOM 0 HG21 VAL A 11 5.501 0.842 5.170 1.00 40.33 H new ATOM 0 HG22 VAL A 11 5.972 1.138 3.480 1.00 40.33 H new ATOM 0 HG23 VAL A 11 4.731 2.155 4.248 1.00 40.33 H new ATOM 169 N VAL A 12 3.191 -1.345 0.922 1.00 52.31 N ATOM 170 CA VAL A 12 2.447 -2.464 0.384 1.00 24.04 C ATOM 171 C VAL A 12 3.038 -3.776 0.883 1.00 50.51 C ATOM 172 O VAL A 12 4.213 -4.066 0.647 1.00 4.43 O ATOM 173 CB VAL A 12 2.449 -2.473 -1.157 1.00 74.43 C ATOM 174 CG1 VAL A 12 1.666 -3.664 -1.682 1.00 64.13 C ATOM 175 CG2 VAL A 12 1.887 -1.178 -1.714 1.00 73.24 C ATOM 0 H VAL A 12 4.152 -1.274 0.587 1.00 52.31 H new ATOM 0 HA VAL A 12 1.418 -2.357 0.727 1.00 24.04 H new ATOM 0 HB VAL A 12 3.483 -2.560 -1.492 1.00 74.43 H new ATOM 0 HG11 VAL A 12 1.677 -3.655 -2.772 1.00 64.13 H new ATOM 0 HG12 VAL A 12 2.122 -4.586 -1.322 1.00 64.13 H new ATOM 0 HG13 VAL A 12 0.636 -3.606 -1.330 1.00 64.13 H new ATOM 0 HG21 VAL A 12 1.901 -1.214 -2.803 1.00 73.24 H new ATOM 0 HG22 VAL A 12 0.861 -1.048 -1.369 1.00 73.24 H new ATOM 0 HG23 VAL A 12 2.494 -0.340 -1.371 1.00 73.24 H new ATOM 185 N TYR A 13 2.228 -4.554 1.582 1.00 40.40 N ATOM 186 CA TYR A 13 2.638 -5.879 2.011 1.00 52.11 C ATOM 187 C TYR A 13 2.408 -6.873 0.882 1.00 54.40 C ATOM 188 O TYR A 13 1.266 -7.123 0.486 1.00 24.22 O ATOM 189 CB TYR A 13 1.871 -6.316 3.258 1.00 73.34 C ATOM 190 CG TYR A 13 2.209 -5.531 4.508 1.00 71.24 C ATOM 191 CD1 TYR A 13 3.470 -5.614 5.086 1.00 4.53 C ATOM 192 CD2 TYR A 13 1.260 -4.724 5.121 1.00 63.32 C ATOM 193 CE1 TYR A 13 3.775 -4.914 6.237 1.00 51.21 C ATOM 194 CE2 TYR A 13 1.558 -4.019 6.270 1.00 62.44 C ATOM 195 CZ TYR A 13 2.816 -4.119 6.826 1.00 61.11 C ATOM 196 OH TYR A 13 3.119 -3.420 7.973 1.00 75.31 O ATOM 0 H TYR A 13 1.284 -4.290 1.864 1.00 40.40 H new ATOM 0 HA TYR A 13 3.698 -5.849 2.262 1.00 52.11 H new ATOM 0 HB2 TYR A 13 0.803 -6.223 3.063 1.00 73.34 H new ATOM 0 HB3 TYR A 13 2.071 -7.372 3.441 1.00 73.34 H new ATOM 0 HD1 TYR A 13 4.224 -6.236 4.628 1.00 4.53 H new ATOM 0 HD2 TYR A 13 0.272 -4.646 4.692 1.00 63.32 H new ATOM 0 HE1 TYR A 13 4.760 -4.989 6.673 1.00 51.21 H new ATOM 0 HE2 TYR A 13 0.809 -3.392 6.731 1.00 62.44 H new ATOM 0 HH TYR A 13 2.473 -2.693 8.093 1.00 75.31 H new ATOM 205 N GLY A 14 3.492 -7.417 0.356 1.00 74.22 N ATOM 206 CA GLY A 14 3.400 -8.342 -0.752 1.00 72.21 C ATOM 207 C GLY A 14 4.063 -9.659 -0.433 1.00 51.23 C ATOM 208 O GLY A 14 4.493 -9.885 0.695 1.00 2.05 O ATOM 0 H GLY A 14 4.442 -7.233 0.680 1.00 74.22 H new ATOM 0 HA2 GLY A 14 2.352 -8.512 -0.999 1.00 72.21 H new ATOM 0 HA3 GLY A 14 3.868 -7.903 -1.633 1.00 72.21 H new ATOM 212 N ARG A 15 4.149 -10.532 -1.422 1.00 33.11 N ATOM 213 CA ARG A 15 4.764 -11.836 -1.234 1.00 21.31 C ATOM 214 C ARG A 15 5.195 -12.423 -2.565 1.00 52.00 C ATOM 215 O ARG A 15 4.648 -12.078 -3.614 1.00 52.35 O ATOM 216 CB ARG A 15 3.806 -12.807 -0.538 1.00 71.24 C ATOM 217 CG ARG A 15 2.426 -12.872 -1.175 1.00 61.40 C ATOM 218 CD ARG A 15 1.621 -14.062 -0.670 1.00 50.02 C ATOM 219 NE ARG A 15 2.070 -15.324 -1.263 1.00 74.31 N ATOM 220 CZ ARG A 15 2.805 -16.231 -0.621 1.00 63.00 C ATOM 221 NH1 ARG A 15 3.154 -16.034 0.645 1.00 53.32 N ATOM 222 NH2 ARG A 15 3.176 -17.346 -1.238 1.00 73.30 N ATOM 0 H ARG A 15 3.800 -10.362 -2.365 1.00 33.11 H new ATOM 0 HA ARG A 15 5.640 -11.694 -0.601 1.00 21.31 H new ATOM 0 HB2 ARG A 15 4.246 -13.804 -0.545 1.00 71.24 H new ATOM 0 HB3 ARG A 15 3.700 -12.512 0.506 1.00 71.24 H new ATOM 0 HG2 ARG A 15 1.884 -11.951 -0.961 1.00 61.40 H new ATOM 0 HG3 ARG A 15 2.529 -12.937 -2.258 1.00 61.40 H new ATOM 0 HD2 ARG A 15 1.706 -14.122 0.415 1.00 50.02 H new ATOM 0 HD3 ARG A 15 0.566 -13.909 -0.900 1.00 50.02 H new ATOM 0 HE ARG A 15 1.803 -15.521 -2.228 1.00 74.31 H new ATOM 0 HH11 ARG A 15 2.859 -15.186 1.129 1.00 53.32 H new ATOM 0 HH12 ARG A 15 3.717 -16.731 1.133 1.00 53.32 H new ATOM 0 HH21 ARG A 15 2.898 -17.510 -2.206 1.00 73.30 H new ATOM 0 HH22 ARG A 15 3.739 -18.039 -0.744 1.00 73.30 H new ATOM 233 N GLU A 16 6.184 -13.302 -2.508 1.00 52.14 N ATOM 234 CA GLU A 16 6.643 -14.034 -3.673 1.00 54.11 C ATOM 235 C GLU A 16 5.622 -15.102 -4.043 1.00 54.31 C ATOM 236 O GLU A 16 5.827 -16.293 -3.798 1.00 63.13 O ATOM 237 CB GLU A 16 8.011 -14.679 -3.407 1.00 34.45 C ATOM 238 CG GLU A 16 9.058 -13.718 -2.853 1.00 53.34 C ATOM 239 CD GLU A 16 9.033 -13.611 -1.337 1.00 64.21 C ATOM 240 OE1 GLU A 16 8.088 -13.001 -0.787 1.00 71.12 O ATOM 241 OE2 GLU A 16 9.963 -14.139 -0.694 1.00 31.51 O ATOM 0 H GLU A 16 6.690 -13.526 -1.651 1.00 52.14 H new ATOM 0 HA GLU A 16 6.752 -13.336 -4.503 1.00 54.11 H new ATOM 0 HB2 GLU A 16 7.882 -15.502 -2.704 1.00 34.45 H new ATOM 0 HB3 GLU A 16 8.384 -15.109 -4.336 1.00 34.45 H new ATOM 0 HG2 GLU A 16 10.047 -14.047 -3.171 1.00 53.34 H new ATOM 0 HG3 GLU A 16 8.897 -12.729 -3.283 1.00 53.34 H new ATOM 246 N GLY A 17 4.501 -14.659 -4.586 1.00 42.23 N ATOM 247 CA GLY A 17 3.439 -15.571 -4.954 1.00 73.45 C ATOM 248 C GLY A 17 2.075 -14.932 -4.822 1.00 5.31 C ATOM 249 O GLY A 17 1.251 -15.368 -4.016 1.00 53.11 O ATOM 0 H GLY A 17 4.306 -13.677 -4.780 1.00 42.23 H new ATOM 0 HA2 GLY A 17 3.586 -15.903 -5.982 1.00 73.45 H new ATOM 0 HA3 GLY A 17 3.487 -16.458 -4.322 1.00 73.45 H new ATOM 253 N CYS A 18 1.859 -13.878 -5.594 1.00 31.44 N ATOM 254 CA CYS A 18 0.579 -13.186 -5.644 1.00 32.51 C ATOM 255 C CYS A 18 0.618 -12.159 -6.765 1.00 11.01 C ATOM 256 O CYS A 18 1.393 -11.202 -6.716 1.00 50.25 O ATOM 257 CB CYS A 18 0.264 -12.506 -4.304 1.00 4.14 C ATOM 258 SG CYS A 18 -1.425 -11.866 -4.177 1.00 41.20 S ATOM 0 H CYS A 18 2.569 -13.476 -6.206 1.00 31.44 H new ATOM 0 HA CYS A 18 -0.211 -13.912 -5.836 1.00 32.51 H new ATOM 0 HB2 CYS A 18 0.432 -13.221 -3.498 1.00 4.14 H new ATOM 0 HB3 CYS A 18 0.964 -11.685 -4.152 1.00 4.14 H new ATOM 0 HG CYS A 18 -1.812 -11.905 -2.936 1.00 41.20 H new ATOM 263 N HIS A 19 -0.201 -12.371 -7.786 1.00 63.22 N ATOM 264 CA HIS A 19 -0.169 -11.536 -8.978 1.00 34.11 C ATOM 265 C HIS A 19 -0.717 -10.137 -8.706 1.00 45.53 C ATOM 266 O HIS A 19 -0.209 -9.161 -9.250 1.00 4.13 O ATOM 267 CB HIS A 19 -0.948 -12.202 -10.120 1.00 3.33 C ATOM 268 CG HIS A 19 -1.029 -11.359 -11.357 1.00 23.40 C ATOM 269 ND1 HIS A 19 0.029 -11.177 -12.215 1.00 65.14 N ATOM 270 CD2 HIS A 19 -2.047 -10.622 -11.855 1.00 22.35 C ATOM 271 CE1 HIS A 19 -0.331 -10.353 -13.182 1.00 43.55 C ATOM 272 NE2 HIS A 19 -1.589 -9.998 -12.990 1.00 42.53 N ATOM 0 H HIS A 19 -0.897 -13.116 -7.812 1.00 63.22 H new ATOM 0 HA HIS A 19 0.874 -11.429 -9.275 1.00 34.11 H new ATOM 0 HB2 HIS A 19 -0.474 -13.152 -10.367 1.00 3.33 H new ATOM 0 HB3 HIS A 19 -1.958 -12.429 -9.777 1.00 3.33 H new ATOM 0 HD2 HIS A 19 -3.039 -10.539 -11.437 1.00 22.35 H new ATOM 0 HE1 HIS A 19 0.299 -10.024 -13.995 1.00 43.55 H new ATOM 0 HE2 HIS A 19 -2.128 -9.368 -13.584 1.00 42.53 H new ATOM 279 N LEU A 20 -1.729 -10.051 -7.842 1.00 52.11 N ATOM 280 CA LEU A 20 -2.455 -8.793 -7.600 1.00 63.00 C ATOM 281 C LEU A 20 -1.529 -7.630 -7.244 1.00 45.44 C ATOM 282 O LEU A 20 -1.855 -6.471 -7.510 1.00 63.25 O ATOM 283 CB LEU A 20 -3.517 -8.979 -6.513 1.00 45.22 C ATOM 284 CG LEU A 20 -4.710 -9.846 -6.926 1.00 22.33 C ATOM 285 CD1 LEU A 20 -5.780 -9.853 -5.839 1.00 34.44 C ATOM 286 CD2 LEU A 20 -5.289 -9.355 -8.246 1.00 1.33 C ATOM 0 H LEU A 20 -2.070 -10.840 -7.293 1.00 52.11 H new ATOM 0 HA LEU A 20 -2.944 -8.534 -8.539 1.00 63.00 H new ATOM 0 HB2 LEU A 20 -3.047 -9.426 -5.637 1.00 45.22 H new ATOM 0 HB3 LEU A 20 -3.885 -7.998 -6.212 1.00 45.22 H new ATOM 0 HG LEU A 20 -4.359 -10.869 -7.060 1.00 22.33 H new ATOM 0 HD11 LEU A 20 -6.617 -10.476 -6.156 1.00 34.44 H new ATOM 0 HD12 LEU A 20 -5.359 -10.253 -4.917 1.00 34.44 H new ATOM 0 HD13 LEU A 20 -6.130 -8.835 -5.666 1.00 34.44 H new ATOM 0 HD21 LEU A 20 -6.136 -9.981 -8.527 1.00 1.33 H new ATOM 0 HD22 LEU A 20 -5.621 -8.323 -8.136 1.00 1.33 H new ATOM 0 HD23 LEU A 20 -4.525 -9.410 -9.021 1.00 1.33 H new ATOM 297 N CYS A 21 -0.393 -7.931 -6.627 1.00 22.43 N ATOM 298 CA CYS A 21 0.584 -6.905 -6.275 1.00 73.02 C ATOM 299 C CYS A 21 0.992 -6.086 -7.508 1.00 15.40 C ATOM 300 O CYS A 21 1.260 -4.888 -7.405 1.00 4.31 O ATOM 301 CB CYS A 21 1.817 -7.550 -5.641 1.00 42.53 C ATOM 302 SG CYS A 21 1.453 -8.553 -4.184 1.00 42.53 S ATOM 0 H CYS A 21 -0.124 -8.878 -6.359 1.00 22.43 H new ATOM 0 HA CYS A 21 0.123 -6.229 -5.555 1.00 73.02 H new ATOM 0 HB2 CYS A 21 2.311 -8.174 -6.385 1.00 42.53 H new ATOM 0 HB3 CYS A 21 2.522 -6.767 -5.363 1.00 42.53 H new ATOM 0 HG CYS A 21 2.556 -9.059 -3.719 1.00 42.53 H new ATOM 307 N GLU A 22 1.015 -6.736 -8.668 1.00 3.25 N ATOM 308 CA GLU A 22 1.351 -6.076 -9.929 1.00 61.50 C ATOM 309 C GLU A 22 0.311 -5.016 -10.267 1.00 63.24 C ATOM 310 O GLU A 22 0.651 -3.868 -10.564 1.00 40.14 O ATOM 311 CB GLU A 22 1.420 -7.106 -11.057 1.00 4.01 C ATOM 312 CG GLU A 22 2.586 -8.072 -10.936 1.00 10.12 C ATOM 313 CD GLU A 22 3.883 -7.482 -11.446 1.00 43.24 C ATOM 314 OE1 GLU A 22 4.510 -6.679 -10.725 1.00 60.30 O ATOM 315 OE2 GLU A 22 4.285 -7.829 -12.577 1.00 1.32 O ATOM 0 H GLU A 22 0.803 -7.729 -8.762 1.00 3.25 H new ATOM 0 HA GLU A 22 2.323 -5.595 -9.820 1.00 61.50 H new ATOM 0 HB2 GLU A 22 0.490 -7.674 -11.075 1.00 4.01 H new ATOM 0 HB3 GLU A 22 1.492 -6.582 -12.010 1.00 4.01 H new ATOM 0 HG2 GLU A 22 2.708 -8.361 -9.892 1.00 10.12 H new ATOM 0 HG3 GLU A 22 2.360 -8.981 -11.494 1.00 10.12 H new ATOM 320 N GLU A 23 -0.957 -5.419 -10.214 1.00 53.24 N ATOM 321 CA GLU A 23 -2.081 -4.528 -10.491 1.00 3.33 C ATOM 322 C GLU A 23 -2.034 -3.291 -9.608 1.00 11.44 C ATOM 323 O GLU A 23 -2.156 -2.162 -10.094 1.00 33.10 O ATOM 324 CB GLU A 23 -3.411 -5.256 -10.266 1.00 42.24 C ATOM 325 CG GLU A 23 -3.817 -6.194 -11.393 1.00 35.42 C ATOM 326 CD GLU A 23 -2.767 -7.237 -11.703 1.00 25.42 C ATOM 327 OE1 GLU A 23 -2.282 -7.884 -10.756 1.00 15.24 O ATOM 328 OE2 GLU A 23 -2.429 -7.418 -12.896 1.00 54.15 O ATOM 0 H GLU A 23 -1.234 -6.372 -9.978 1.00 53.24 H new ATOM 0 HA GLU A 23 -2.004 -4.220 -11.534 1.00 3.33 H new ATOM 0 HB2 GLU A 23 -3.345 -5.828 -9.341 1.00 42.24 H new ATOM 0 HB3 GLU A 23 -4.197 -4.514 -10.127 1.00 42.24 H new ATOM 0 HG2 GLU A 23 -4.748 -6.693 -11.125 1.00 35.42 H new ATOM 0 HG3 GLU A 23 -4.016 -5.609 -12.291 1.00 35.42 H new ATOM 333 N MET A 24 -1.861 -3.512 -8.313 1.00 55.02 N ATOM 334 CA MET A 24 -1.817 -2.416 -7.352 1.00 60.54 C ATOM 335 C MET A 24 -0.694 -1.446 -7.679 1.00 61.13 C ATOM 336 O MET A 24 -0.927 -0.249 -7.826 1.00 53.45 O ATOM 337 CB MET A 24 -1.626 -2.925 -5.923 1.00 4.34 C ATOM 338 CG MET A 24 -2.684 -3.909 -5.461 1.00 24.12 C ATOM 339 SD MET A 24 -2.630 -4.173 -3.678 1.00 71.11 S ATOM 340 CE MET A 24 -3.208 -2.587 -3.081 1.00 11.32 C ATOM 0 H MET A 24 -1.749 -4.439 -7.902 1.00 55.02 H new ATOM 0 HA MET A 24 -2.776 -1.903 -7.422 1.00 60.54 H new ATOM 0 HB2 MET A 24 -0.648 -3.400 -5.847 1.00 4.34 H new ATOM 0 HB3 MET A 24 -1.620 -2.072 -5.244 1.00 4.34 H new ATOM 0 HG2 MET A 24 -3.670 -3.540 -5.743 1.00 24.12 H new ATOM 0 HG3 MET A 24 -2.542 -4.861 -5.973 1.00 24.12 H new ATOM 0 HE1 MET A 24 -3.616 -2.703 -2.077 1.00 11.32 H new ATOM 0 HE2 MET A 24 -2.377 -1.883 -3.056 1.00 11.32 H new ATOM 0 HE3 MET A 24 -3.984 -2.209 -3.746 1.00 11.32 H new ATOM 348 N ILE A 25 0.522 -1.971 -7.799 1.00 41.25 N ATOM 349 CA ILE A 25 1.692 -1.139 -8.049 1.00 44.11 C ATOM 350 C ILE A 25 1.515 -0.292 -9.307 1.00 62.15 C ATOM 351 O ILE A 25 1.696 0.924 -9.267 1.00 23.00 O ATOM 352 CB ILE A 25 2.973 -1.989 -8.161 1.00 73.52 C ATOM 353 CG1 ILE A 25 3.290 -2.640 -6.811 1.00 50.22 C ATOM 354 CG2 ILE A 25 4.149 -1.142 -8.631 1.00 62.52 C ATOM 355 CD1 ILE A 25 4.467 -3.591 -6.846 1.00 22.23 C ATOM 0 H ILE A 25 0.722 -2.969 -7.727 1.00 41.25 H new ATOM 0 HA ILE A 25 1.795 -0.470 -7.195 1.00 44.11 H new ATOM 0 HB ILE A 25 2.804 -2.771 -8.901 1.00 73.52 H new ATOM 0 HG12 ILE A 25 3.491 -1.857 -6.080 1.00 50.22 H new ATOM 0 HG13 ILE A 25 2.409 -3.181 -6.465 1.00 50.22 H new ATOM 0 HG21 ILE A 25 5.041 -1.765 -8.702 1.00 62.52 H new ATOM 0 HG22 ILE A 25 3.924 -0.718 -9.610 1.00 62.52 H new ATOM 0 HG23 ILE A 25 4.325 -0.336 -7.918 1.00 62.52 H new ATOM 0 HD11 ILE A 25 4.626 -4.010 -5.852 1.00 22.23 H new ATOM 0 HD12 ILE A 25 4.263 -4.397 -7.551 1.00 22.23 H new ATOM 0 HD13 ILE A 25 5.361 -3.052 -7.160 1.00 22.23 H new ATOM 366 N ALA A 26 1.131 -0.925 -10.412 1.00 51.31 N ATOM 367 CA ALA A 26 0.935 -0.213 -11.672 1.00 13.45 C ATOM 368 C ALA A 26 -0.093 0.903 -11.519 1.00 41.52 C ATOM 369 O ALA A 26 0.060 1.988 -12.084 1.00 33.45 O ATOM 370 CB ALA A 26 0.515 -1.173 -12.773 1.00 72.42 C ATOM 0 H ALA A 26 0.950 -1.928 -10.461 1.00 51.31 H new ATOM 0 HA ALA A 26 1.887 0.239 -11.950 1.00 13.45 H new ATOM 0 HB1 ALA A 26 0.374 -0.621 -13.703 1.00 72.42 H new ATOM 0 HB2 ALA A 26 1.289 -1.928 -12.912 1.00 72.42 H new ATOM 0 HB3 ALA A 26 -0.420 -1.659 -12.495 1.00 72.42 H new ATOM 376 N SER A 27 -1.127 0.636 -10.734 1.00 35.54 N ATOM 377 CA SER A 27 -2.174 1.611 -10.473 1.00 42.20 C ATOM 378 C SER A 27 -1.644 2.765 -9.620 1.00 51.13 C ATOM 379 O SER A 27 -1.921 3.937 -9.894 1.00 31.41 O ATOM 380 CB SER A 27 -3.345 0.928 -9.765 1.00 33.01 C ATOM 381 OG SER A 27 -3.871 -0.126 -10.557 1.00 65.54 O ATOM 0 H SER A 27 -1.263 -0.258 -10.263 1.00 35.54 H new ATOM 0 HA SER A 27 -2.514 2.021 -11.424 1.00 42.20 H new ATOM 0 HB2 SER A 27 -3.015 0.536 -8.803 1.00 33.01 H new ATOM 0 HB3 SER A 27 -4.127 1.659 -9.559 1.00 33.01 H new ATOM 0 HG SER A 27 -3.309 -0.922 -10.457 1.00 65.54 H new ATOM 386 N LEU A 28 -0.869 2.427 -8.594 1.00 33.23 N ATOM 387 CA LEU A 28 -0.335 3.423 -7.671 1.00 10.24 C ATOM 388 C LEU A 28 0.643 4.363 -8.370 1.00 15.04 C ATOM 389 O LEU A 28 0.651 5.558 -8.102 1.00 74.03 O ATOM 390 CB LEU A 28 0.358 2.740 -6.490 1.00 41.55 C ATOM 391 CG LEU A 28 -0.539 1.843 -5.634 1.00 23.33 C ATOM 392 CD1 LEU A 28 0.242 1.272 -4.464 1.00 64.32 C ATOM 393 CD2 LEU A 28 -1.756 2.611 -5.143 1.00 70.22 C ATOM 0 H LEU A 28 -0.596 1.468 -8.380 1.00 33.23 H new ATOM 0 HA LEU A 28 -1.174 4.014 -7.304 1.00 10.24 H new ATOM 0 HB2 LEU A 28 1.184 2.141 -6.872 1.00 41.55 H new ATOM 0 HB3 LEU A 28 0.791 3.509 -5.850 1.00 41.55 H new ATOM 0 HG LEU A 28 -0.886 1.015 -6.252 1.00 23.33 H new ATOM 0 HD11 LEU A 28 -0.411 0.637 -3.866 1.00 64.32 H new ATOM 0 HD12 LEU A 28 1.079 0.682 -4.838 1.00 64.32 H new ATOM 0 HD13 LEU A 28 0.620 2.087 -3.847 1.00 64.32 H new ATOM 0 HD21 LEU A 28 -2.380 1.955 -4.537 1.00 70.22 H new ATOM 0 HD22 LEU A 28 -1.432 3.461 -4.542 1.00 70.22 H new ATOM 0 HD23 LEU A 28 -2.330 2.969 -5.998 1.00 70.22 H new ATOM 404 N ARG A 29 1.450 3.817 -9.276 1.00 11.14 N ATOM 405 CA ARG A 29 2.459 4.603 -9.991 1.00 14.15 C ATOM 406 C ARG A 29 1.816 5.758 -10.748 1.00 15.53 C ATOM 407 O ARG A 29 2.383 6.845 -10.844 1.00 52.54 O ATOM 408 CB ARG A 29 3.232 3.711 -10.964 1.00 71.34 C ATOM 409 CG ARG A 29 3.908 2.536 -10.280 1.00 54.12 C ATOM 410 CD ARG A 29 5.057 2.982 -9.395 1.00 33.04 C ATOM 411 NE ARG A 29 6.330 2.943 -10.110 1.00 45.10 N ATOM 412 CZ ARG A 29 7.308 3.826 -9.948 1.00 32.43 C ATOM 413 NH1 ARG A 29 7.134 4.890 -9.171 1.00 23.20 N ATOM 414 NH2 ARG A 29 8.461 3.654 -10.581 1.00 34.04 N ATOM 0 H ARG A 29 1.427 2.831 -9.535 1.00 11.14 H new ATOM 0 HA ARG A 29 3.150 5.015 -9.255 1.00 14.15 H new ATOM 0 HB2 ARG A 29 2.549 3.337 -11.727 1.00 71.34 H new ATOM 0 HB3 ARG A 29 3.986 4.309 -11.477 1.00 71.34 H new ATOM 0 HG2 ARG A 29 3.176 1.995 -9.680 1.00 54.12 H new ATOM 0 HG3 ARG A 29 4.279 1.841 -11.034 1.00 54.12 H new ATOM 0 HD2 ARG A 29 4.870 3.995 -9.037 1.00 33.04 H new ATOM 0 HD3 ARG A 29 5.112 2.339 -8.517 1.00 33.04 H new ATOM 0 HE ARG A 29 6.477 2.187 -10.778 1.00 45.10 H new ATOM 0 HH11 ARG A 29 6.244 5.033 -8.694 1.00 23.20 H new ATOM 0 HH12 ARG A 29 7.891 5.564 -9.052 1.00 23.20 H new ATOM 0 HH21 ARG A 29 8.593 2.846 -11.189 1.00 34.04 H new ATOM 0 HH22 ARG A 29 9.215 4.330 -10.460 1.00 34.04 H new ATOM 425 N VAL A 30 0.625 5.524 -11.274 1.00 52.24 N ATOM 426 CA VAL A 30 -0.095 6.555 -12.007 1.00 74.44 C ATOM 427 C VAL A 30 -0.731 7.557 -11.042 1.00 61.05 C ATOM 428 O VAL A 30 -0.836 8.745 -11.346 1.00 14.23 O ATOM 429 CB VAL A 30 -1.176 5.940 -12.922 1.00 24.14 C ATOM 430 CG1 VAL A 30 -1.947 7.014 -13.686 1.00 31.50 C ATOM 431 CG2 VAL A 30 -0.537 4.951 -13.889 1.00 50.21 C ATOM 0 H VAL A 30 0.136 4.631 -11.208 1.00 52.24 H new ATOM 0 HA VAL A 30 0.625 7.079 -12.635 1.00 74.44 H new ATOM 0 HB VAL A 30 -1.891 5.413 -12.291 1.00 24.14 H new ATOM 0 HG11 VAL A 30 -2.698 6.542 -14.319 1.00 31.50 H new ATOM 0 HG12 VAL A 30 -2.437 7.683 -12.978 1.00 31.50 H new ATOM 0 HG13 VAL A 30 -1.257 7.585 -14.307 1.00 31.50 H new ATOM 0 HG21 VAL A 30 -1.306 4.521 -14.531 1.00 50.21 H new ATOM 0 HG22 VAL A 30 0.201 5.467 -14.503 1.00 50.21 H new ATOM 0 HG23 VAL A 30 -0.048 4.156 -13.326 1.00 50.21 H new ATOM 441 N LEU A 31 -1.139 7.077 -9.871 1.00 15.24 N ATOM 442 CA LEU A 31 -1.717 7.943 -8.849 1.00 75.23 C ATOM 443 C LEU A 31 -0.629 8.830 -8.244 1.00 12.14 C ATOM 444 O LEU A 31 -0.886 9.965 -7.842 1.00 64.31 O ATOM 445 CB LEU A 31 -2.384 7.098 -7.753 1.00 13.12 C ATOM 446 CG LEU A 31 -3.729 7.624 -7.226 1.00 1.31 C ATOM 447 CD1 LEU A 31 -4.247 6.728 -6.111 1.00 15.14 C ATOM 448 CD2 LEU A 31 -3.608 9.055 -6.728 1.00 74.23 C ATOM 0 H LEU A 31 -1.080 6.094 -9.606 1.00 15.24 H new ATOM 0 HA LEU A 31 -2.475 8.577 -9.309 1.00 75.23 H new ATOM 0 HB2 LEU A 31 -2.536 6.090 -8.140 1.00 13.12 H new ATOM 0 HB3 LEU A 31 -1.694 7.016 -6.913 1.00 13.12 H new ATOM 0 HG LEU A 31 -4.438 7.612 -8.054 1.00 1.31 H new ATOM 0 HD11 LEU A 31 -5.200 7.113 -5.748 1.00 15.14 H new ATOM 0 HD12 LEU A 31 -4.386 5.716 -6.492 1.00 15.14 H new ATOM 0 HD13 LEU A 31 -3.527 6.712 -5.293 1.00 15.14 H new ATOM 0 HD21 LEU A 31 -4.577 9.396 -6.362 1.00 74.23 H new ATOM 0 HD22 LEU A 31 -2.879 9.098 -5.919 1.00 74.23 H new ATOM 0 HD23 LEU A 31 -3.282 9.698 -7.545 1.00 74.23 H new ATOM 459 N GLN A 32 0.595 8.307 -8.210 1.00 35.03 N ATOM 460 CA GLN A 32 1.748 9.048 -7.701 1.00 71.41 C ATOM 461 C GLN A 32 1.983 10.327 -8.504 1.00 65.13 C ATOM 462 O GLN A 32 2.631 11.259 -8.028 1.00 25.20 O ATOM 463 CB GLN A 32 3.006 8.174 -7.738 1.00 23.23 C ATOM 464 CG GLN A 32 2.973 7.009 -6.758 1.00 33.10 C ATOM 465 CD GLN A 32 4.184 6.101 -6.873 1.00 44.01 C ATOM 466 OE1 GLN A 32 4.774 5.953 -7.945 1.00 51.01 O ATOM 467 NE2 GLN A 32 4.557 5.475 -5.769 1.00 51.02 N ATOM 0 H GLN A 32 0.815 7.364 -8.532 1.00 35.03 H new ATOM 0 HA GLN A 32 1.534 9.324 -6.669 1.00 71.41 H new ATOM 0 HB2 GLN A 32 3.137 7.784 -8.747 1.00 23.23 H new ATOM 0 HB3 GLN A 32 3.875 8.795 -7.521 1.00 23.23 H new ATOM 0 HG2 GLN A 32 2.913 7.398 -5.742 1.00 33.10 H new ATOM 0 HG3 GLN A 32 2.070 6.424 -6.929 1.00 33.10 H new ATOM 0 HE21 GLN A 32 4.043 5.623 -4.900 1.00 51.02 H new ATOM 0 HE22 GLN A 32 5.358 4.844 -5.786 1.00 51.02 H new ATOM 474 N LYS A 33 1.453 10.369 -9.723 1.00 63.12 N ATOM 475 CA LYS A 33 1.598 11.540 -10.577 1.00 24.22 C ATOM 476 C LYS A 33 0.578 12.615 -10.204 1.00 22.32 C ATOM 477 O LYS A 33 0.701 13.770 -10.603 1.00 14.34 O ATOM 478 CB LYS A 33 1.452 11.154 -12.047 1.00 34.55 C ATOM 479 CG LYS A 33 2.418 10.058 -12.472 1.00 42.42 C ATOM 480 CD LYS A 33 2.610 10.038 -13.972 1.00 4.14 C ATOM 481 CE LYS A 33 1.321 9.727 -14.707 1.00 40.40 C ATOM 482 NZ LYS A 33 1.475 9.911 -16.169 1.00 13.20 N ATOM 0 H LYS A 33 0.920 9.606 -10.140 1.00 63.12 H new ATOM 0 HA LYS A 33 2.597 11.949 -10.424 1.00 24.22 H new ATOM 0 HB2 LYS A 33 0.430 10.821 -12.230 1.00 34.55 H new ATOM 0 HB3 LYS A 33 1.616 12.036 -12.667 1.00 34.55 H new ATOM 0 HG2 LYS A 33 3.380 10.210 -11.983 1.00 42.42 H new ATOM 0 HG3 LYS A 33 2.041 9.091 -12.140 1.00 42.42 H new ATOM 0 HD2 LYS A 33 2.991 11.005 -14.301 1.00 4.14 H new ATOM 0 HD3 LYS A 33 3.363 9.294 -14.231 1.00 4.14 H new ATOM 0 HE2 LYS A 33 1.019 8.701 -14.498 1.00 40.40 H new ATOM 0 HE3 LYS A 33 0.525 10.374 -14.339 1.00 40.40 H new ATOM 0 HZ1 LYS A 33 0.576 9.690 -16.643 1.00 13.20 H new ATOM 0 HZ2 LYS A 33 1.739 10.897 -16.369 1.00 13.20 H new ATOM 0 HZ3 LYS A 33 2.218 9.275 -16.523 1.00 13.20 H new ATOM 492 N LYS A 34 -0.431 12.218 -9.443 1.00 23.43 N ATOM 493 CA LYS A 34 -1.412 13.154 -8.913 1.00 22.32 C ATOM 494 C LYS A 34 -1.030 13.531 -7.488 1.00 11.11 C ATOM 495 O LYS A 34 -0.973 14.709 -7.129 1.00 63.03 O ATOM 496 CB LYS A 34 -2.818 12.541 -8.915 1.00 65.32 C ATOM 497 CG LYS A 34 -3.548 12.590 -10.250 1.00 62.51 C ATOM 498 CD LYS A 34 -2.867 11.753 -11.319 1.00 13.02 C ATOM 499 CE LYS A 34 -3.773 11.559 -12.525 1.00 62.04 C ATOM 500 NZ LYS A 34 -4.247 12.853 -13.087 1.00 55.14 N ATOM 0 H LYS A 34 -0.593 11.247 -9.177 1.00 23.43 H new ATOM 0 HA LYS A 34 -1.421 14.040 -9.548 1.00 22.32 H new ATOM 0 HB2 LYS A 34 -2.743 11.501 -8.599 1.00 65.32 H new ATOM 0 HB3 LYS A 34 -3.423 13.058 -8.170 1.00 65.32 H new ATOM 0 HG2 LYS A 34 -4.570 12.237 -10.114 1.00 62.51 H new ATOM 0 HG3 LYS A 34 -3.610 13.624 -10.588 1.00 62.51 H new ATOM 0 HD2 LYS A 34 -1.942 12.238 -11.630 1.00 13.02 H new ATOM 0 HD3 LYS A 34 -2.594 10.782 -10.906 1.00 13.02 H new ATOM 0 HE2 LYS A 34 -3.236 11.005 -13.295 1.00 62.04 H new ATOM 0 HE3 LYS A 34 -4.632 10.953 -12.238 1.00 62.04 H new ATOM 0 HZ1 LYS A 34 -4.732 12.682 -13.991 1.00 55.14 H new ATOM 0 HZ2 LYS A 34 -4.906 13.301 -12.419 1.00 55.14 H new ATOM 0 HZ3 LYS A 34 -3.434 13.482 -13.245 1.00 55.14 H new ATOM 510 N SER A 35 -0.755 12.509 -6.693 1.00 64.21 N ATOM 511 CA SER A 35 -0.403 12.678 -5.296 1.00 34.43 C ATOM 512 C SER A 35 0.701 11.687 -4.928 1.00 43.53 C ATOM 513 O SER A 35 0.519 10.480 -5.057 1.00 21.11 O ATOM 514 CB SER A 35 -1.642 12.453 -4.416 1.00 3.42 C ATOM 515 OG SER A 35 -2.727 13.267 -4.840 1.00 72.34 O ATOM 0 H SER A 35 -0.770 11.537 -7.001 1.00 64.21 H new ATOM 0 HA SER A 35 -0.039 13.692 -5.130 1.00 34.43 H new ATOM 0 HB2 SER A 35 -1.934 11.404 -4.456 1.00 3.42 H new ATOM 0 HB3 SER A 35 -1.399 12.677 -3.377 1.00 3.42 H new ATOM 0 HG SER A 35 -3.503 13.103 -4.264 1.00 72.34 H new ATOM 520 N TRP A 36 1.849 12.193 -4.495 1.00 74.44 N ATOM 521 CA TRP A 36 2.964 11.325 -4.163 1.00 21.13 C ATOM 522 C TRP A 36 2.770 10.706 -2.785 1.00 25.14 C ATOM 523 O TRP A 36 2.454 11.398 -1.817 1.00 11.02 O ATOM 524 CB TRP A 36 4.293 12.080 -4.210 1.00 42.23 C ATOM 525 CG TRP A 36 5.475 11.174 -4.045 1.00 54.21 C ATOM 526 CD1 TRP A 36 6.203 10.960 -2.908 1.00 10.22 C ATOM 527 CD2 TRP A 36 6.051 10.338 -5.050 1.00 64.01 C ATOM 528 NE1 TRP A 36 7.199 10.049 -3.154 1.00 63.14 N ATOM 529 CE2 TRP A 36 7.128 9.655 -4.460 1.00 11.01 C ATOM 530 CE3 TRP A 36 5.762 10.107 -6.399 1.00 65.24 C ATOM 531 CZ2 TRP A 36 7.914 8.753 -5.164 1.00 53.43 C ATOM 532 CZ3 TRP A 36 6.544 9.210 -7.100 1.00 12.20 C ATOM 533 CH2 TRP A 36 7.610 8.543 -6.483 1.00 13.21 C ATOM 0 H TRP A 36 2.028 13.189 -4.368 1.00 74.44 H new ATOM 0 HA TRP A 36 2.995 10.532 -4.910 1.00 21.13 H new ATOM 0 HB2 TRP A 36 4.374 12.608 -5.160 1.00 42.23 H new ATOM 0 HB3 TRP A 36 4.306 12.835 -3.424 1.00 42.23 H new ATOM 0 HD1 TRP A 36 6.021 11.438 -1.957 1.00 10.22 H new ATOM 0 HE1 TRP A 36 7.882 9.719 -2.472 1.00 63.14 H new ATOM 0 HE3 TRP A 36 4.944 10.620 -6.883 1.00 65.24 H new ATOM 0 HZ2 TRP A 36 8.735 8.236 -4.689 1.00 53.43 H new ATOM 0 HZ3 TRP A 36 6.330 9.020 -8.141 1.00 12.20 H new ATOM 0 HH2 TRP A 36 8.204 7.849 -7.059 1.00 13.21 H new ATOM 543 N PHE A 37 2.959 9.397 -2.709 1.00 73.40 N ATOM 544 CA PHE A 37 2.815 8.681 -1.452 1.00 25.33 C ATOM 545 C PHE A 37 3.901 7.627 -1.280 1.00 24.02 C ATOM 546 O PHE A 37 3.783 6.745 -0.432 1.00 55.31 O ATOM 547 CB PHE A 37 1.420 8.037 -1.358 1.00 11.13 C ATOM 548 CG PHE A 37 0.968 7.320 -2.607 1.00 62.34 C ATOM 549 CD1 PHE A 37 1.488 6.080 -2.951 1.00 60.43 C ATOM 550 CD2 PHE A 37 0.007 7.885 -3.430 1.00 34.44 C ATOM 551 CE1 PHE A 37 1.061 5.425 -4.087 1.00 13.21 C ATOM 552 CE2 PHE A 37 -0.423 7.232 -4.567 1.00 54.31 C ATOM 553 CZ PHE A 37 0.103 6.003 -4.897 1.00 61.32 C ATOM 0 H PHE A 37 3.212 8.810 -3.504 1.00 73.40 H new ATOM 0 HA PHE A 37 2.925 9.404 -0.644 1.00 25.33 H new ATOM 0 HB2 PHE A 37 1.417 7.330 -0.529 1.00 11.13 H new ATOM 0 HB3 PHE A 37 0.693 8.813 -1.118 1.00 11.13 H new ATOM 0 HD1 PHE A 37 2.236 5.622 -2.321 1.00 60.43 H new ATOM 0 HD2 PHE A 37 -0.411 8.849 -3.178 1.00 34.44 H new ATOM 0 HE1 PHE A 37 1.475 4.461 -4.343 1.00 13.21 H new ATOM 0 HE2 PHE A 37 -1.173 7.685 -5.199 1.00 54.31 H new ATOM 0 HZ PHE A 37 -0.233 5.492 -5.787 1.00 61.32 H new ATOM 562 N GLU A 38 4.969 7.738 -2.072 1.00 24.21 N ATOM 563 CA GLU A 38 6.053 6.752 -2.054 1.00 71.04 C ATOM 564 C GLU A 38 5.526 5.369 -2.415 1.00 72.24 C ATOM 565 O GLU A 38 4.342 5.197 -2.700 1.00 11.34 O ATOM 566 CB GLU A 38 6.729 6.711 -0.679 1.00 24.42 C ATOM 567 CG GLU A 38 7.533 7.956 -0.362 1.00 5.02 C ATOM 568 CD GLU A 38 8.929 7.912 -0.938 1.00 35.33 C ATOM 569 OE1 GLU A 38 9.763 7.138 -0.421 1.00 34.23 O ATOM 570 OE2 GLU A 38 9.205 8.657 -1.899 1.00 13.34 O ATOM 0 H GLU A 38 5.107 8.501 -2.735 1.00 24.21 H new ATOM 0 HA GLU A 38 6.792 7.052 -2.797 1.00 71.04 H new ATOM 0 HB2 GLU A 38 5.966 6.576 0.088 1.00 24.42 H new ATOM 0 HB3 GLU A 38 7.386 5.842 -0.632 1.00 24.42 H new ATOM 0 HG2 GLU A 38 7.011 8.830 -0.752 1.00 5.02 H new ATOM 0 HG3 GLU A 38 7.594 8.078 0.719 1.00 5.02 H new ATOM 575 N LEU A 39 6.412 4.395 -2.464 1.00 40.31 N ATOM 576 CA LEU A 39 5.979 3.019 -2.646 1.00 55.30 C ATOM 577 C LEU A 39 6.983 2.050 -2.040 1.00 72.43 C ATOM 578 O LEU A 39 8.095 1.891 -2.546 1.00 55.25 O ATOM 579 CB LEU A 39 5.735 2.712 -4.124 1.00 41.14 C ATOM 580 CG LEU A 39 4.906 1.454 -4.393 1.00 52.53 C ATOM 581 CD1 LEU A 39 3.708 1.398 -3.455 1.00 2.01 C ATOM 582 CD2 LEU A 39 4.430 1.438 -5.835 1.00 53.42 C ATOM 0 H LEU A 39 7.421 4.524 -2.382 1.00 40.31 H new ATOM 0 HA LEU A 39 5.033 2.890 -2.121 1.00 55.30 H new ATOM 0 HB2 LEU A 39 5.232 3.565 -4.579 1.00 41.14 H new ATOM 0 HB3 LEU A 39 6.699 2.608 -4.622 1.00 41.14 H new ATOM 0 HG LEU A 39 5.535 0.582 -4.215 1.00 52.53 H new ATOM 0 HD11 LEU A 39 3.128 0.498 -3.659 1.00 2.01 H new ATOM 0 HD12 LEU A 39 4.055 1.380 -2.422 1.00 2.01 H new ATOM 0 HD13 LEU A 39 3.082 2.276 -3.612 1.00 2.01 H new ATOM 0 HD21 LEU A 39 3.841 0.538 -6.014 1.00 53.42 H new ATOM 0 HD22 LEU A 39 3.815 2.318 -6.025 1.00 53.42 H new ATOM 0 HD23 LEU A 39 5.292 1.447 -6.503 1.00 53.42 H new ATOM 593 N GLU A 40 6.586 1.409 -0.953 1.00 15.32 N ATOM 594 CA GLU A 40 7.440 0.447 -0.282 1.00 14.32 C ATOM 595 C GLU A 40 6.815 -0.938 -0.349 1.00 14.45 C ATOM 596 O GLU A 40 5.719 -1.152 0.152 1.00 61.24 O ATOM 597 CB GLU A 40 7.651 0.870 1.171 1.00 72.42 C ATOM 598 CG GLU A 40 8.631 0.003 1.940 1.00 12.44 C ATOM 599 CD GLU A 40 9.124 0.688 3.192 1.00 40.04 C ATOM 600 OE1 GLU A 40 8.475 0.553 4.246 1.00 34.23 O ATOM 601 OE2 GLU A 40 10.156 1.390 3.120 1.00 42.02 O ATOM 0 H GLU A 40 5.674 1.539 -0.516 1.00 15.32 H new ATOM 0 HA GLU A 40 8.408 0.414 -0.782 1.00 14.32 H new ATOM 0 HB2 GLU A 40 8.005 1.901 1.189 1.00 72.42 H new ATOM 0 HB3 GLU A 40 6.690 0.854 1.685 1.00 72.42 H new ATOM 0 HG2 GLU A 40 8.152 -0.939 2.206 1.00 12.44 H new ATOM 0 HG3 GLU A 40 9.480 -0.241 1.301 1.00 12.44 H new ATOM 606 N VAL A 41 7.510 -1.868 -0.980 1.00 40.11 N ATOM 607 CA VAL A 41 7.007 -3.227 -1.121 1.00 10.02 C ATOM 608 C VAL A 41 7.751 -4.161 -0.175 1.00 3.33 C ATOM 609 O VAL A 41 8.952 -4.381 -0.324 1.00 11.22 O ATOM 610 CB VAL A 41 7.148 -3.739 -2.572 1.00 5.03 C ATOM 611 CG1 VAL A 41 6.544 -5.129 -2.717 1.00 11.15 C ATOM 612 CG2 VAL A 41 6.497 -2.771 -3.550 1.00 0.04 C ATOM 0 H VAL A 41 8.424 -1.709 -1.403 1.00 40.11 H new ATOM 0 HA VAL A 41 5.947 -3.214 -0.867 1.00 10.02 H new ATOM 0 HB VAL A 41 8.211 -3.802 -2.806 1.00 5.03 H new ATOM 0 HG11 VAL A 41 6.655 -5.468 -3.747 1.00 11.15 H new ATOM 0 HG12 VAL A 41 7.058 -5.821 -2.050 1.00 11.15 H new ATOM 0 HG13 VAL A 41 5.486 -5.095 -2.459 1.00 11.15 H new ATOM 0 HG21 VAL A 41 6.608 -3.151 -4.566 1.00 0.04 H new ATOM 0 HG22 VAL A 41 5.438 -2.672 -3.313 1.00 0.04 H new ATOM 0 HG23 VAL A 41 6.979 -1.796 -3.472 1.00 0.04 H new ATOM 622 N ILE A 42 7.035 -4.694 0.800 1.00 33.15 N ATOM 623 CA ILE A 42 7.640 -5.549 1.809 1.00 33.02 C ATOM 624 C ILE A 42 7.132 -6.981 1.683 1.00 2.54 C ATOM 625 O ILE A 42 5.943 -7.251 1.860 1.00 74.44 O ATOM 626 CB ILE A 42 7.368 -5.004 3.226 1.00 52.21 C ATOM 627 CG1 ILE A 42 7.889 -3.564 3.321 1.00 51.40 C ATOM 628 CG2 ILE A 42 8.023 -5.889 4.283 1.00 23.21 C ATOM 629 CD1 ILE A 42 7.616 -2.894 4.646 1.00 23.14 C ATOM 0 H ILE A 42 6.032 -4.550 0.915 1.00 33.15 H new ATOM 0 HA ILE A 42 8.717 -5.551 1.643 1.00 33.02 H new ATOM 0 HB ILE A 42 6.294 -5.010 3.413 1.00 52.21 H new ATOM 0 HG12 ILE A 42 8.964 -3.566 3.142 1.00 51.40 H new ATOM 0 HG13 ILE A 42 7.435 -2.972 2.527 1.00 51.40 H new ATOM 0 HG21 ILE A 42 7.817 -5.485 5.274 1.00 23.21 H new ATOM 0 HG22 ILE A 42 7.620 -6.899 4.212 1.00 23.21 H new ATOM 0 HG23 ILE A 42 9.100 -5.916 4.118 1.00 23.21 H new ATOM 0 HD11 ILE A 42 8.016 -1.880 4.630 1.00 23.14 H new ATOM 0 HD12 ILE A 42 6.541 -2.857 4.820 1.00 23.14 H new ATOM 0 HD13 ILE A 42 8.094 -3.460 5.445 1.00 23.14 H new ATOM 640 N ASN A 43 8.042 -7.886 1.343 1.00 72.23 N ATOM 641 CA ASN A 43 7.716 -9.295 1.164 1.00 21.24 C ATOM 642 C ASN A 43 7.460 -9.982 2.497 1.00 72.53 C ATOM 643 O ASN A 43 8.343 -10.054 3.351 1.00 54.45 O ATOM 644 CB ASN A 43 8.851 -10.003 0.421 1.00 44.22 C ATOM 645 CG ASN A 43 8.882 -9.648 -1.050 1.00 34.02 C ATOM 646 OD1 ASN A 43 9.450 -8.633 -1.447 1.00 32.41 O ATOM 647 ND2 ASN A 43 8.297 -10.503 -1.871 1.00 71.24 N ATOM 0 H ASN A 43 9.025 -7.664 1.184 1.00 72.23 H new ATOM 0 HA ASN A 43 6.801 -9.355 0.575 1.00 21.24 H new ATOM 0 HB2 ASN A 43 9.804 -9.735 0.877 1.00 44.22 H new ATOM 0 HB3 ASN A 43 8.737 -11.082 0.530 1.00 44.22 H new ATOM 0 HD21 ASN A 43 8.306 -10.332 -2.877 1.00 71.24 H new ATOM 0 HD22 ASN A 43 7.837 -11.334 -1.499 1.00 71.24 H new ATOM 653 N ILE A 44 6.246 -10.486 2.669 1.00 43.34 N ATOM 654 CA ILE A 44 5.861 -11.156 3.902 1.00 43.13 C ATOM 655 C ILE A 44 6.235 -12.634 3.884 1.00 53.43 C ATOM 656 O ILE A 44 6.424 -13.237 4.936 1.00 64.11 O ATOM 657 CB ILE A 44 4.341 -11.051 4.167 1.00 32.23 C ATOM 658 CG1 ILE A 44 3.557 -11.812 3.090 1.00 73.33 C ATOM 659 CG2 ILE A 44 3.909 -9.593 4.221 1.00 61.43 C ATOM 660 CD1 ILE A 44 2.118 -12.089 3.460 1.00 41.41 C ATOM 0 H ILE A 44 5.508 -10.443 1.966 1.00 43.34 H new ATOM 0 HA ILE A 44 6.407 -10.647 4.696 1.00 43.13 H new ATOM 0 HB ILE A 44 4.124 -11.506 5.134 1.00 32.23 H new ATOM 0 HG12 ILE A 44 3.580 -11.237 2.164 1.00 73.33 H new ATOM 0 HG13 ILE A 44 4.059 -12.759 2.890 1.00 73.33 H new ATOM 0 HG21 ILE A 44 2.837 -9.538 4.408 1.00 61.43 H new ATOM 0 HG22 ILE A 44 4.444 -9.084 5.023 1.00 61.43 H new ATOM 0 HG23 ILE A 44 4.137 -9.111 3.270 1.00 61.43 H new ATOM 0 HD11 ILE A 44 1.631 -12.630 2.648 1.00 41.41 H new ATOM 0 HD12 ILE A 44 2.085 -12.691 4.368 1.00 41.41 H new ATOM 0 HD13 ILE A 44 1.598 -11.146 3.631 1.00 41.41 H new ATOM 671 N ASP A 45 6.342 -13.211 2.689 1.00 15.02 N ATOM 672 CA ASP A 45 6.544 -14.657 2.550 1.00 73.31 C ATOM 673 C ASP A 45 7.915 -15.084 3.068 1.00 72.21 C ATOM 674 O ASP A 45 8.115 -16.235 3.458 1.00 70.30 O ATOM 675 CB ASP A 45 6.367 -15.086 1.094 1.00 4.30 C ATOM 676 CG ASP A 45 6.343 -16.594 0.930 1.00 53.44 C ATOM 677 OD1 ASP A 45 5.395 -17.240 1.435 1.00 55.11 O ATOM 678 OD2 ASP A 45 7.248 -17.137 0.273 1.00 14.13 O ATOM 0 H ASP A 45 6.293 -12.705 1.805 1.00 15.02 H new ATOM 0 HA ASP A 45 5.789 -15.156 3.158 1.00 73.31 H new ATOM 0 HB2 ASP A 45 5.439 -14.667 0.706 1.00 4.30 H new ATOM 0 HB3 ASP A 45 7.178 -14.672 0.496 1.00 4.30 H new ATOM 682 N GLY A 46 8.849 -14.143 3.091 1.00 74.24 N ATOM 683 CA GLY A 46 10.164 -14.409 3.643 1.00 70.51 C ATOM 684 C GLY A 46 10.206 -14.170 5.142 1.00 51.12 C ATOM 685 O GLY A 46 11.276 -13.978 5.723 1.00 43.10 O ATOM 0 H GLY A 46 8.719 -13.196 2.736 1.00 74.24 H new ATOM 0 HA2 GLY A 46 10.445 -15.441 3.432 1.00 70.51 H new ATOM 0 HA3 GLY A 46 10.900 -13.771 3.153 1.00 70.51 H new ATOM 689 N ASN A 47 9.028 -14.164 5.755 1.00 54.11 N ATOM 690 CA ASN A 47 8.889 -13.950 7.189 1.00 52.14 C ATOM 691 C ASN A 47 7.779 -14.843 7.728 1.00 11.11 C ATOM 692 O ASN A 47 6.628 -14.723 7.306 1.00 35.42 O ATOM 693 CB ASN A 47 8.549 -12.484 7.474 1.00 32.23 C ATOM 694 CG ASN A 47 8.549 -12.155 8.953 1.00 54.22 C ATOM 695 OD1 ASN A 47 7.536 -12.309 9.636 1.00 15.00 O ATOM 696 ND2 ASN A 47 9.683 -11.689 9.450 1.00 54.12 N ATOM 0 H ASN A 47 8.142 -14.308 5.271 1.00 54.11 H new ATOM 0 HA ASN A 47 9.831 -14.197 7.679 1.00 52.14 H new ATOM 0 HB2 ASN A 47 9.269 -11.844 6.965 1.00 32.23 H new ATOM 0 HB3 ASN A 47 7.568 -12.256 7.056 1.00 32.23 H new ATOM 0 HD21 ASN A 47 9.743 -11.441 10.437 1.00 54.12 H new ATOM 0 HD22 ASN A 47 10.497 -11.578 8.846 1.00 54.12 H new ATOM 702 N GLU A 48 8.125 -15.731 8.653 1.00 20.32 N ATOM 703 CA GLU A 48 7.165 -16.694 9.198 1.00 62.24 C ATOM 704 C GLU A 48 5.937 -15.988 9.772 1.00 31.15 C ATOM 705 O GLU A 48 4.805 -16.455 9.622 1.00 0.43 O ATOM 706 CB GLU A 48 7.819 -17.544 10.295 1.00 51.41 C ATOM 707 CG GLU A 48 6.922 -18.663 10.801 1.00 62.42 C ATOM 708 CD GLU A 48 7.411 -19.277 12.097 1.00 20.12 C ATOM 709 OE1 GLU A 48 8.320 -20.134 12.057 1.00 41.11 O ATOM 710 OE2 GLU A 48 6.880 -18.919 13.162 1.00 24.33 O ATOM 0 H GLU A 48 9.064 -15.807 9.044 1.00 20.32 H new ATOM 0 HA GLU A 48 6.848 -17.339 8.378 1.00 62.24 H new ATOM 0 HB2 GLU A 48 8.743 -17.974 9.910 1.00 51.41 H new ATOM 0 HB3 GLU A 48 8.092 -16.900 11.131 1.00 51.41 H new ATOM 0 HG2 GLU A 48 5.914 -18.274 10.948 1.00 62.42 H new ATOM 0 HG3 GLU A 48 6.856 -19.440 10.040 1.00 62.42 H new ATOM 715 N HIS A 49 6.161 -14.845 10.397 1.00 63.43 N ATOM 716 CA HIS A 49 5.096 -14.145 11.093 1.00 4.11 C ATOM 717 C HIS A 49 4.182 -13.429 10.110 1.00 63.53 C ATOM 718 O HIS A 49 2.966 -13.618 10.135 1.00 52.12 O ATOM 719 CB HIS A 49 5.674 -13.149 12.097 1.00 1.33 C ATOM 720 CG HIS A 49 6.360 -13.797 13.263 1.00 44.33 C ATOM 721 ND1 HIS A 49 7.708 -14.083 13.282 1.00 54.11 N ATOM 722 CD2 HIS A 49 5.876 -14.217 14.456 1.00 65.13 C ATOM 723 CE1 HIS A 49 8.023 -14.646 14.431 1.00 21.42 C ATOM 724 NE2 HIS A 49 6.931 -14.739 15.160 1.00 60.33 N ATOM 0 H HIS A 49 7.069 -14.383 10.437 1.00 63.43 H new ATOM 0 HA HIS A 49 4.506 -14.885 11.634 1.00 4.11 H new ATOM 0 HB2 HIS A 49 6.384 -12.500 11.584 1.00 1.33 H new ATOM 0 HB3 HIS A 49 4.870 -12.512 12.467 1.00 1.33 H new ATOM 0 HD2 HIS A 49 4.851 -14.153 14.790 1.00 65.13 H new ATOM 0 HE1 HIS A 49 9.009 -14.975 14.724 1.00 21.42 H new ATOM 0 HE2 HIS A 49 6.878 -15.136 16.098 1.00 60.33 H new ATOM 731 N LEU A 50 4.769 -12.620 9.236 1.00 44.24 N ATOM 732 CA LEU A 50 3.988 -11.846 8.279 1.00 50.54 C ATOM 733 C LEU A 50 3.241 -12.750 7.303 1.00 13.20 C ATOM 734 O LEU A 50 2.135 -12.421 6.872 1.00 33.02 O ATOM 735 CB LEU A 50 4.874 -10.862 7.517 1.00 5.22 C ATOM 736 CG LEU A 50 5.469 -9.730 8.361 1.00 11.32 C ATOM 737 CD1 LEU A 50 6.212 -8.743 7.477 1.00 31.14 C ATOM 738 CD2 LEU A 50 4.379 -9.017 9.151 1.00 61.22 C ATOM 0 H LEU A 50 5.778 -12.483 9.170 1.00 44.24 H new ATOM 0 HA LEU A 50 3.250 -11.281 8.847 1.00 50.54 H new ATOM 0 HB2 LEU A 50 5.691 -11.416 7.054 1.00 5.22 H new ATOM 0 HB3 LEU A 50 4.289 -10.422 6.709 1.00 5.22 H new ATOM 0 HG LEU A 50 6.176 -10.166 9.067 1.00 11.32 H new ATOM 0 HD11 LEU A 50 6.628 -7.945 8.092 1.00 31.14 H new ATOM 0 HD12 LEU A 50 7.019 -9.258 6.955 1.00 31.14 H new ATOM 0 HD13 LEU A 50 5.523 -8.317 6.748 1.00 31.14 H new ATOM 0 HD21 LEU A 50 4.823 -8.217 9.743 1.00 61.22 H new ATOM 0 HD22 LEU A 50 3.647 -8.595 8.462 1.00 61.22 H new ATOM 0 HD23 LEU A 50 3.886 -9.728 9.814 1.00 61.22 H new ATOM 749 N THR A 51 3.842 -13.886 6.957 1.00 43.10 N ATOM 750 CA THR A 51 3.175 -14.860 6.102 1.00 64.54 C ATOM 751 C THR A 51 1.857 -15.306 6.732 1.00 41.33 C ATOM 752 O THR A 51 0.805 -15.216 6.115 1.00 4.45 O ATOM 753 CB THR A 51 4.053 -16.103 5.842 1.00 42.14 C ATOM 754 OG1 THR A 51 5.283 -15.716 5.220 1.00 63.51 O ATOM 755 CG2 THR A 51 3.331 -17.099 4.946 1.00 3.21 C ATOM 0 H THR A 51 4.781 -14.152 7.253 1.00 43.10 H new ATOM 0 HA THR A 51 2.987 -14.367 5.148 1.00 64.54 H new ATOM 0 HB THR A 51 4.260 -16.576 6.802 1.00 42.14 H new ATOM 0 HG1 THR A 51 5.741 -15.058 5.783 1.00 63.51 H new ATOM 0 HG21 THR A 51 3.970 -17.966 4.777 1.00 3.21 H new ATOM 0 HG22 THR A 51 2.406 -17.418 5.427 1.00 3.21 H new ATOM 0 HG23 THR A 51 3.099 -16.628 3.991 1.00 3.21 H new ATOM 763 N ARG A 52 1.924 -15.753 7.979 1.00 72.44 N ATOM 764 CA ARG A 52 0.745 -16.240 8.688 1.00 31.34 C ATOM 765 C ARG A 52 -0.271 -15.124 8.911 1.00 73.24 C ATOM 766 O ARG A 52 -1.477 -15.368 8.946 1.00 0.15 O ATOM 767 CB ARG A 52 1.148 -16.872 10.023 1.00 1.11 C ATOM 768 CG ARG A 52 1.726 -18.272 9.876 1.00 61.42 C ATOM 769 CD ARG A 52 2.156 -18.850 11.214 1.00 62.01 C ATOM 770 NE ARG A 52 2.336 -20.299 11.142 1.00 23.03 N ATOM 771 CZ ARG A 52 3.309 -20.974 11.759 1.00 11.40 C ATOM 772 NH1 ARG A 52 4.232 -20.329 12.463 1.00 33.44 N ATOM 773 NH2 ARG A 52 3.360 -22.298 11.655 1.00 74.31 N ATOM 0 H ARG A 52 2.786 -15.789 8.524 1.00 72.44 H new ATOM 0 HA ARG A 52 0.272 -17.001 8.067 1.00 31.34 H new ATOM 0 HB2 ARG A 52 1.883 -16.233 10.513 1.00 1.11 H new ATOM 0 HB3 ARG A 52 0.276 -16.913 10.676 1.00 1.11 H new ATOM 0 HG2 ARG A 52 0.983 -18.926 9.420 1.00 61.42 H new ATOM 0 HG3 ARG A 52 2.582 -18.243 9.201 1.00 61.42 H new ATOM 0 HD2 ARG A 52 3.088 -18.382 11.530 1.00 62.01 H new ATOM 0 HD3 ARG A 52 1.408 -18.613 11.971 1.00 62.01 H new ATOM 0 HE ARG A 52 1.672 -20.832 10.581 1.00 23.03 H new ATOM 0 HH11 ARG A 52 4.200 -19.312 12.535 1.00 33.44 H new ATOM 0 HH12 ARG A 52 4.973 -20.851 12.932 1.00 33.44 H new ATOM 0 HH21 ARG A 52 2.658 -22.794 11.106 1.00 74.31 H new ATOM 0 HH22 ARG A 52 4.101 -22.818 12.124 1.00 74.31 H new ATOM 784 N LEU A 53 0.224 -13.903 9.068 1.00 21.24 N ATOM 785 CA LEU A 53 -0.632 -12.749 9.305 1.00 0.32 C ATOM 786 C LEU A 53 -1.425 -12.345 8.058 1.00 34.42 C ATOM 787 O LEU A 53 -2.637 -12.149 8.128 1.00 54.14 O ATOM 788 CB LEU A 53 0.210 -11.563 9.789 1.00 5.32 C ATOM 789 CG LEU A 53 0.725 -11.671 11.224 1.00 54.50 C ATOM 790 CD1 LEU A 53 1.741 -10.576 11.505 1.00 23.32 C ATOM 791 CD2 LEU A 53 -0.432 -11.572 12.205 1.00 14.22 C ATOM 0 H LEU A 53 1.220 -13.686 9.035 1.00 21.24 H new ATOM 0 HA LEU A 53 -1.352 -13.034 10.073 1.00 0.32 H new ATOM 0 HB2 LEU A 53 1.064 -11.448 9.121 1.00 5.32 H new ATOM 0 HB3 LEU A 53 -0.387 -10.655 9.702 1.00 5.32 H new ATOM 0 HG LEU A 53 1.211 -12.639 11.347 1.00 54.50 H new ATOM 0 HD11 LEU A 53 2.099 -10.666 12.531 1.00 23.32 H new ATOM 0 HD12 LEU A 53 2.581 -10.674 10.818 1.00 23.32 H new ATOM 0 HD13 LEU A 53 1.273 -9.601 11.368 1.00 23.32 H new ATOM 0 HD21 LEU A 53 -0.053 -11.650 13.224 1.00 14.22 H new ATOM 0 HD22 LEU A 53 -0.936 -10.614 12.078 1.00 14.22 H new ATOM 0 HD23 LEU A 53 -1.138 -12.381 12.018 1.00 14.22 H new ATOM 802 N TYR A 54 -0.749 -12.236 6.921 1.00 22.04 N ATOM 803 CA TYR A 54 -1.364 -11.641 5.738 1.00 62.33 C ATOM 804 C TYR A 54 -1.560 -12.638 4.591 1.00 40.10 C ATOM 805 O TYR A 54 -1.916 -12.234 3.487 1.00 30.21 O ATOM 806 CB TYR A 54 -0.514 -10.470 5.237 1.00 14.04 C ATOM 807 CG TYR A 54 -0.426 -9.292 6.185 1.00 52.40 C ATOM 808 CD1 TYR A 54 0.498 -9.269 7.222 1.00 31.53 C ATOM 809 CD2 TYR A 54 -1.257 -8.189 6.029 1.00 44.13 C ATOM 810 CE1 TYR A 54 0.594 -8.183 8.074 1.00 40.20 C ATOM 811 CE2 TYR A 54 -1.173 -7.101 6.877 1.00 51.11 C ATOM 812 CZ TYR A 54 -0.247 -7.102 7.896 1.00 75.32 C ATOM 813 OH TYR A 54 -0.149 -6.011 8.733 1.00 53.34 O ATOM 0 H TYR A 54 0.214 -12.547 6.792 1.00 22.04 H new ATOM 0 HA TYR A 54 -2.352 -11.299 6.047 1.00 62.33 H new ATOM 0 HB2 TYR A 54 0.494 -10.832 5.037 1.00 14.04 H new ATOM 0 HB3 TYR A 54 -0.923 -10.124 4.288 1.00 14.04 H new ATOM 0 HD1 TYR A 54 1.154 -10.115 7.366 1.00 31.53 H new ATOM 0 HD2 TYR A 54 -1.983 -8.182 5.229 1.00 44.13 H new ATOM 0 HE1 TYR A 54 1.321 -8.181 8.872 1.00 40.20 H new ATOM 0 HE2 TYR A 54 -1.830 -6.255 6.741 1.00 51.11 H new ATOM 0 HH TYR A 54 -0.961 -5.468 8.659 1.00 53.34 H new ATOM 822 N ASN A 55 -1.332 -13.926 4.829 1.00 30.12 N ATOM 823 CA ASN A 55 -1.466 -14.916 3.752 1.00 52.40 C ATOM 824 C ASN A 55 -2.883 -14.926 3.173 1.00 75.04 C ATOM 825 O ASN A 55 -3.866 -14.875 3.913 1.00 3.34 O ATOM 826 CB ASN A 55 -1.103 -16.326 4.222 1.00 13.13 C ATOM 827 CG ASN A 55 -1.037 -17.316 3.070 1.00 15.05 C ATOM 828 OD1 ASN A 55 -0.686 -16.954 1.943 1.00 61.21 O ATOM 829 ND2 ASN A 55 -1.372 -18.567 3.343 1.00 61.23 N ATOM 0 H ASN A 55 -1.059 -14.308 5.735 1.00 30.12 H new ATOM 0 HA ASN A 55 -0.764 -14.617 2.974 1.00 52.40 H new ATOM 0 HB2 ASN A 55 -0.140 -16.300 4.732 1.00 13.13 H new ATOM 0 HB3 ASN A 55 -1.840 -16.666 4.949 1.00 13.13 H new ATOM 0 HD21 ASN A 55 -1.346 -19.274 2.608 1.00 61.23 H new ATOM 0 HD22 ASN A 55 -1.656 -18.824 4.288 1.00 61.23 H new ATOM 835 N ASP A 56 -2.951 -14.973 1.839 1.00 55.35 N ATOM 836 CA ASP A 56 -4.208 -15.031 1.072 1.00 71.44 C ATOM 837 C ASP A 56 -4.942 -13.690 1.030 1.00 10.23 C ATOM 838 O ASP A 56 -5.597 -13.368 0.038 1.00 45.42 O ATOM 839 CB ASP A 56 -5.148 -16.121 1.599 1.00 23.35 C ATOM 840 CG ASP A 56 -6.451 -16.185 0.820 1.00 22.12 C ATOM 841 OD1 ASP A 56 -6.432 -16.643 -0.344 1.00 10.04 O ATOM 842 OD2 ASP A 56 -7.501 -15.781 1.368 1.00 32.12 O ATOM 0 H ASP A 56 -2.120 -14.972 1.247 1.00 55.35 H new ATOM 0 HA ASP A 56 -3.915 -15.281 0.052 1.00 71.44 H new ATOM 0 HB2 ASP A 56 -4.647 -17.087 1.544 1.00 23.35 H new ATOM 0 HB3 ASP A 56 -5.365 -15.933 2.651 1.00 23.35 H new ATOM 846 N ARG A 57 -4.803 -12.891 2.075 1.00 61.41 N ATOM 847 CA ARG A 57 -5.531 -11.652 2.182 1.00 75.15 C ATOM 848 C ARG A 57 -4.541 -10.518 2.174 1.00 4.33 C ATOM 849 O ARG A 57 -4.712 -9.526 2.876 1.00 40.44 O ATOM 850 CB ARG A 57 -6.355 -11.633 3.470 1.00 1.13 C ATOM 851 CG ARG A 57 -7.495 -12.633 3.472 1.00 44.42 C ATOM 852 CD ARG A 57 -8.291 -12.577 4.763 1.00 35.34 C ATOM 853 NE ARG A 57 -9.503 -13.389 4.690 1.00 1.45 N ATOM 854 CZ ARG A 57 -10.043 -14.028 5.727 1.00 15.51 C ATOM 855 NH1 ARG A 57 -9.459 -13.989 6.917 1.00 51.21 N ATOM 856 NH2 ARG A 57 -11.172 -14.705 5.571 1.00 12.13 N ATOM 0 H ARG A 57 -4.186 -13.087 2.863 1.00 61.41 H new ATOM 0 HA ARG A 57 -6.218 -11.548 1.342 1.00 75.15 H new ATOM 0 HB2 ARG A 57 -5.699 -11.840 4.315 1.00 1.13 H new ATOM 0 HB3 ARG A 57 -6.760 -10.632 3.619 1.00 1.13 H new ATOM 0 HG2 ARG A 57 -8.156 -12.433 2.629 1.00 44.42 H new ATOM 0 HG3 ARG A 57 -7.097 -13.638 3.334 1.00 44.42 H new ATOM 0 HD2 ARG A 57 -7.670 -12.925 5.588 1.00 35.34 H new ATOM 0 HD3 ARG A 57 -8.559 -11.543 4.980 1.00 35.34 H new ATOM 0 HE ARG A 57 -9.967 -13.472 3.785 1.00 1.45 H new ATOM 0 HH11 ARG A 57 -8.591 -13.468 7.042 1.00 51.21 H new ATOM 0 HH12 ARG A 57 -9.878 -14.480 7.707 1.00 51.21 H new ATOM 0 HH21 ARG A 57 -11.626 -14.736 4.658 1.00 12.13 H new ATOM 0 HH22 ARG A 57 -11.587 -15.195 6.364 1.00 12.13 H new ATOM 867 N VAL A 58 -3.494 -10.683 1.368 1.00 61.41 N ATOM 868 CA VAL A 58 -2.438 -9.728 1.318 1.00 74.50 C ATOM 869 C VAL A 58 -2.889 -8.492 0.591 1.00 13.34 C ATOM 870 O VAL A 58 -3.665 -7.729 1.151 1.00 40.45 O ATOM 871 CB VAL A 58 -1.137 -10.289 0.697 1.00 2.31 C ATOM 872 CG1 VAL A 58 0.020 -10.070 1.641 1.00 32.03 C ATOM 873 CG2 VAL A 58 -1.275 -11.764 0.348 1.00 45.20 C ATOM 0 H VAL A 58 -3.373 -11.481 0.745 1.00 61.41 H new ATOM 0 HA VAL A 58 -2.195 -9.472 2.349 1.00 74.50 H new ATOM 0 HB VAL A 58 -0.945 -9.752 -0.232 1.00 2.31 H new ATOM 0 HG11 VAL A 58 0.932 -10.468 1.197 1.00 32.03 H new ATOM 0 HG12 VAL A 58 0.142 -9.003 1.826 1.00 32.03 H new ATOM 0 HG13 VAL A 58 -0.177 -10.581 2.583 1.00 32.03 H new ATOM 0 HG21 VAL A 58 -0.342 -12.124 -0.086 1.00 45.20 H new ATOM 0 HG22 VAL A 58 -1.498 -12.332 1.251 1.00 45.20 H new ATOM 0 HG23 VAL A 58 -2.084 -11.894 -0.371 1.00 45.20 H new ATOM 883 N PRO A 59 -2.570 -8.366 -0.709 1.00 50.22 N ATOM 884 CA PRO A 59 -2.285 -7.091 -1.317 1.00 42.34 C ATOM 885 C PRO A 59 -2.788 -5.902 -0.494 1.00 3.31 C ATOM 886 O PRO A 59 -3.814 -5.298 -0.799 1.00 21.20 O ATOM 887 CB PRO A 59 -2.977 -7.211 -2.667 1.00 54.21 C ATOM 888 CG PRO A 59 -2.867 -8.661 -3.020 1.00 61.25 C ATOM 889 CD PRO A 59 -2.609 -9.419 -1.739 1.00 1.24 C ATOM 0 HA PRO A 59 -1.217 -6.887 -1.396 1.00 42.34 H new ATOM 0 HB2 PRO A 59 -4.019 -6.895 -2.608 1.00 54.21 H new ATOM 0 HB3 PRO A 59 -2.496 -6.583 -3.417 1.00 54.21 H new ATOM 0 HG2 PRO A 59 -3.783 -9.011 -3.495 1.00 61.25 H new ATOM 0 HG3 PRO A 59 -2.057 -8.823 -3.731 1.00 61.25 H new ATOM 0 HD2 PRO A 59 -3.396 -10.146 -1.539 1.00 1.24 H new ATOM 0 HD3 PRO A 59 -1.670 -9.971 -1.783 1.00 1.24 H new ATOM 894 N VAL A 60 -2.054 -5.611 0.577 1.00 11.51 N ATOM 895 CA VAL A 60 -2.532 -4.732 1.634 1.00 51.00 C ATOM 896 C VAL A 60 -1.764 -3.419 1.664 1.00 54.54 C ATOM 897 O VAL A 60 -0.533 -3.409 1.727 1.00 53.34 O ATOM 898 CB VAL A 60 -2.426 -5.419 3.025 1.00 70.42 C ATOM 899 CG1 VAL A 60 -3.777 -5.944 3.496 1.00 5.45 C ATOM 900 CG2 VAL A 60 -1.428 -6.567 2.988 1.00 3.42 C ATOM 0 H VAL A 60 -1.115 -5.978 0.734 1.00 11.51 H new ATOM 0 HA VAL A 60 -3.579 -4.520 1.416 1.00 51.00 H new ATOM 0 HB VAL A 60 -2.081 -4.661 3.728 1.00 70.42 H new ATOM 0 HG11 VAL A 60 -3.663 -6.417 4.471 1.00 5.45 H new ATOM 0 HG12 VAL A 60 -4.482 -5.116 3.574 1.00 5.45 H new ATOM 0 HG13 VAL A 60 -4.153 -6.674 2.780 1.00 5.45 H new ATOM 0 HG21 VAL A 60 -1.371 -7.032 3.972 1.00 3.42 H new ATOM 0 HG22 VAL A 60 -1.751 -7.307 2.256 1.00 3.42 H new ATOM 0 HG23 VAL A 60 -0.445 -6.186 2.710 1.00 3.42 H new ATOM 910 N LEU A 61 -2.502 -2.313 1.610 1.00 23.03 N ATOM 911 CA LEU A 61 -1.907 -0.988 1.713 1.00 74.33 C ATOM 912 C LEU A 61 -1.839 -0.541 3.162 1.00 33.30 C ATOM 913 O LEU A 61 -2.864 -0.296 3.796 1.00 55.31 O ATOM 914 CB LEU A 61 -2.691 0.041 0.896 1.00 52.13 C ATOM 915 CG LEU A 61 -2.369 0.068 -0.595 1.00 13.31 C ATOM 916 CD1 LEU A 61 -3.253 1.079 -1.314 1.00 75.21 C ATOM 917 CD2 LEU A 61 -0.898 0.392 -0.814 1.00 3.40 C ATOM 0 H LEU A 61 -3.516 -2.311 1.495 1.00 23.03 H new ATOM 0 HA LEU A 61 -0.897 -1.054 1.310 1.00 74.33 H new ATOM 0 HB2 LEU A 61 -3.756 -0.157 1.018 1.00 52.13 H new ATOM 0 HB3 LEU A 61 -2.501 1.031 1.310 1.00 52.13 H new ATOM 0 HG LEU A 61 -2.570 -0.919 -1.011 1.00 13.31 H new ATOM 0 HD11 LEU A 61 -3.009 1.085 -2.376 1.00 75.21 H new ATOM 0 HD12 LEU A 61 -4.300 0.805 -1.183 1.00 75.21 H new ATOM 0 HD13 LEU A 61 -3.083 2.072 -0.898 1.00 75.21 H new ATOM 0 HD21 LEU A 61 -0.684 0.408 -1.883 1.00 3.40 H new ATOM 0 HD22 LEU A 61 -0.673 1.368 -0.385 1.00 3.40 H new ATOM 0 HD23 LEU A 61 -0.282 -0.367 -0.332 1.00 3.40 H new ATOM 928 N PHE A 62 -0.627 -0.429 3.665 1.00 25.20 N ATOM 929 CA PHE A 62 -0.382 0.001 5.027 1.00 53.40 C ATOM 930 C PHE A 62 -0.194 1.511 5.064 1.00 4.43 C ATOM 931 O PHE A 62 0.697 2.054 4.407 1.00 34.14 O ATOM 932 CB PHE A 62 0.861 -0.712 5.571 1.00 61.44 C ATOM 933 CG PHE A 62 1.250 -0.318 6.971 1.00 22.52 C ATOM 934 CD1 PHE A 62 0.638 -0.906 8.067 1.00 71.31 C ATOM 935 CD2 PHE A 62 2.236 0.632 7.192 1.00 11.13 C ATOM 936 CE1 PHE A 62 1.000 -0.553 9.352 1.00 50.34 C ATOM 937 CE2 PHE A 62 2.600 0.989 8.475 1.00 71.52 C ATOM 938 CZ PHE A 62 1.980 0.398 9.556 1.00 0.25 C ATOM 0 H PHE A 62 0.221 -0.635 3.137 1.00 25.20 H new ATOM 0 HA PHE A 62 -1.237 -0.256 5.653 1.00 53.40 H new ATOM 0 HB2 PHE A 62 0.686 -1.788 5.546 1.00 61.44 H new ATOM 0 HB3 PHE A 62 1.700 -0.510 4.905 1.00 61.44 H new ATOM 0 HD1 PHE A 62 -0.131 -1.649 7.914 1.00 71.31 H new ATOM 0 HD2 PHE A 62 2.725 1.098 6.350 1.00 11.13 H new ATOM 0 HE1 PHE A 62 0.517 -1.021 10.197 1.00 50.34 H new ATOM 0 HE2 PHE A 62 3.370 1.730 8.632 1.00 71.52 H new ATOM 0 HZ PHE A 62 2.261 0.679 10.560 1.00 0.25 H new ATOM 947 N ALA A 63 -1.049 2.181 5.813 1.00 31.34 N ATOM 948 CA ALA A 63 -0.983 3.623 5.941 1.00 30.31 C ATOM 949 C ALA A 63 0.064 4.011 6.973 1.00 50.32 C ATOM 950 O ALA A 63 -0.155 3.882 8.181 1.00 21.41 O ATOM 951 CB ALA A 63 -2.346 4.186 6.318 1.00 24.03 C ATOM 0 H ALA A 63 -1.802 1.745 6.345 1.00 31.34 H new ATOM 0 HA ALA A 63 -0.693 4.047 4.980 1.00 30.31 H new ATOM 0 HB1 ALA A 63 -2.279 5.270 6.410 1.00 24.03 H new ATOM 0 HB2 ALA A 63 -3.071 3.932 5.545 1.00 24.03 H new ATOM 0 HB3 ALA A 63 -2.665 3.760 7.269 1.00 24.03 H new ATOM 957 N VAL A 64 1.216 4.451 6.490 1.00 4.34 N ATOM 958 CA VAL A 64 2.293 4.893 7.356 1.00 23.02 C ATOM 959 C VAL A 64 1.836 6.124 8.135 1.00 23.23 C ATOM 960 O VAL A 64 1.024 6.903 7.633 1.00 61.24 O ATOM 961 CB VAL A 64 3.563 5.209 6.529 1.00 31.10 C ATOM 962 CG1 VAL A 64 4.730 5.619 7.418 1.00 33.22 C ATOM 963 CG2 VAL A 64 3.944 4.008 5.678 1.00 64.34 C ATOM 0 H VAL A 64 1.428 4.511 5.494 1.00 4.34 H new ATOM 0 HA VAL A 64 2.543 4.096 8.057 1.00 23.02 H new ATOM 0 HB VAL A 64 3.334 6.053 5.879 1.00 31.10 H new ATOM 0 HG11 VAL A 64 5.602 5.832 6.799 1.00 33.22 H new ATOM 0 HG12 VAL A 64 4.460 6.510 7.984 1.00 33.22 H new ATOM 0 HG13 VAL A 64 4.964 4.808 8.108 1.00 33.22 H new ATOM 0 HG21 VAL A 64 4.838 4.241 5.100 1.00 64.34 H new ATOM 0 HG22 VAL A 64 4.141 3.152 6.324 1.00 64.34 H new ATOM 0 HG23 VAL A 64 3.126 3.769 4.999 1.00 64.34 H new ATOM 973 N ASN A 65 2.326 6.254 9.369 1.00 70.32 N ATOM 974 CA ASN A 65 1.961 7.342 10.294 1.00 53.11 C ATOM 975 C ASN A 65 0.685 7.004 11.062 1.00 4.25 C ATOM 976 O ASN A 65 0.497 7.455 12.189 1.00 63.55 O ATOM 977 CB ASN A 65 1.806 8.716 9.605 1.00 3.34 C ATOM 978 CG ASN A 65 3.073 9.193 8.915 1.00 5.14 C ATOM 979 OD1 ASN A 65 3.950 9.778 9.543 1.00 20.33 O ATOM 980 ND2 ASN A 65 3.156 8.979 7.609 1.00 53.21 N ATOM 0 H ASN A 65 2.999 5.598 9.766 1.00 70.32 H new ATOM 0 HA ASN A 65 2.798 7.427 10.988 1.00 53.11 H new ATOM 0 HB2 ASN A 65 1.002 8.657 8.871 1.00 3.34 H new ATOM 0 HB3 ASN A 65 1.506 9.455 10.348 1.00 3.34 H new ATOM 0 HD21 ASN A 65 3.971 9.305 7.090 1.00 53.21 H new ATOM 0 HD22 ASN A 65 2.405 8.488 7.124 1.00 53.21 H new ATOM 986 N GLU A 66 -0.190 6.210 10.454 1.00 74.51 N ATOM 987 CA GLU A 66 -1.404 5.764 11.129 1.00 45.44 C ATOM 988 C GLU A 66 -1.220 4.378 11.738 1.00 23.12 C ATOM 989 O GLU A 66 -1.735 4.103 12.824 1.00 72.51 O ATOM 990 CB GLU A 66 -2.592 5.739 10.166 1.00 44.11 C ATOM 991 CG GLU A 66 -3.229 7.093 9.905 1.00 20.42 C ATOM 992 CD GLU A 66 -4.575 6.961 9.215 1.00 70.01 C ATOM 993 OE1 GLU A 66 -4.603 6.859 7.977 1.00 3.21 O ATOM 994 OE2 GLU A 66 -5.615 6.933 9.915 1.00 12.12 O ATOM 0 H GLU A 66 -0.083 5.864 9.501 1.00 74.51 H new ATOM 0 HA GLU A 66 -1.607 6.478 11.927 1.00 45.44 H new ATOM 0 HB2 GLU A 66 -2.263 5.319 9.216 1.00 44.11 H new ATOM 0 HB3 GLU A 66 -3.351 5.067 10.565 1.00 44.11 H new ATOM 0 HG2 GLU A 66 -3.355 7.623 10.849 1.00 20.42 H new ATOM 0 HG3 GLU A 66 -2.562 7.695 9.288 1.00 20.42 H new ATOM 999 N ASP A 67 -0.480 3.522 11.029 1.00 2.12 N ATOM 1000 CA ASP A 67 -0.272 2.125 11.433 1.00 13.53 C ATOM 1001 C ASP A 67 -1.578 1.345 11.298 1.00 3.24 C ATOM 1002 O ASP A 67 -2.284 1.111 12.276 1.00 74.42 O ATOM 1003 CB ASP A 67 0.279 2.033 12.866 1.00 42.20 C ATOM 1004 CG ASP A 67 0.688 0.627 13.264 1.00 75.35 C ATOM 1005 OD1 ASP A 67 1.862 0.262 13.040 1.00 40.12 O ATOM 1006 OD2 ASP A 67 -0.145 -0.105 13.840 1.00 55.42 O ATOM 0 H ASP A 67 -0.008 3.775 10.161 1.00 2.12 H new ATOM 0 HA ASP A 67 0.472 1.682 10.771 1.00 13.53 H new ATOM 0 HB2 ASP A 67 1.140 2.694 12.960 1.00 42.20 H new ATOM 0 HB3 ASP A 67 -0.478 2.394 13.562 1.00 42.20 H new ATOM 1010 N LYS A 68 -1.902 0.986 10.058 1.00 52.14 N ATOM 1011 CA LYS A 68 -3.175 0.344 9.725 1.00 1.40 C ATOM 1012 C LYS A 68 -3.230 0.059 8.229 1.00 40.24 C ATOM 1013 O LYS A 68 -2.520 0.697 7.453 1.00 52.11 O ATOM 1014 CB LYS A 68 -4.341 1.267 10.103 1.00 14.53 C ATOM 1015 CG LYS A 68 -4.211 2.653 9.484 1.00 73.14 C ATOM 1016 CD LYS A 68 -5.214 3.642 10.051 1.00 40.51 C ATOM 1017 CE LYS A 68 -6.544 3.594 9.324 1.00 32.13 C ATOM 1018 NZ LYS A 68 -7.378 4.776 9.663 1.00 10.44 N ATOM 0 H LYS A 68 -1.291 1.131 9.254 1.00 52.14 H new ATOM 0 HA LYS A 68 -3.255 -0.590 10.281 1.00 1.40 H new ATOM 0 HB2 LYS A 68 -5.278 0.814 9.779 1.00 14.53 H new ATOM 0 HB3 LYS A 68 -4.390 1.360 11.188 1.00 14.53 H new ATOM 0 HG2 LYS A 68 -3.202 3.028 9.652 1.00 73.14 H new ATOM 0 HG3 LYS A 68 -4.349 2.580 8.405 1.00 73.14 H new ATOM 0 HD2 LYS A 68 -5.373 3.429 11.108 1.00 40.51 H new ATOM 0 HD3 LYS A 68 -4.803 4.650 9.987 1.00 40.51 H new ATOM 0 HE2 LYS A 68 -6.374 3.561 8.248 1.00 32.13 H new ATOM 0 HE3 LYS A 68 -7.076 2.681 9.591 1.00 32.13 H new ATOM 0 HZ1 LYS A 68 -8.106 4.909 8.932 1.00 10.44 H new ATOM 0 HZ2 LYS A 68 -7.836 4.625 10.584 1.00 10.44 H new ATOM 0 HZ3 LYS A 68 -6.777 5.623 9.711 1.00 10.44 H new ATOM 1028 N GLU A 69 -4.058 -0.885 7.819 1.00 41.33 N ATOM 1029 CA GLU A 69 -4.268 -1.129 6.401 1.00 53.22 C ATOM 1030 C GLU A 69 -5.496 -0.360 5.927 1.00 73.15 C ATOM 1031 O GLU A 69 -6.482 -0.253 6.658 1.00 3.24 O ATOM 1032 CB GLU A 69 -4.450 -2.622 6.099 1.00 65.41 C ATOM 1033 CG GLU A 69 -3.292 -3.507 6.542 1.00 31.05 C ATOM 1034 CD GLU A 69 -3.327 -3.824 8.025 1.00 3.52 C ATOM 1035 OE1 GLU A 69 -4.383 -3.603 8.656 1.00 63.24 O ATOM 1036 OE2 GLU A 69 -2.308 -4.303 8.559 1.00 72.01 O ATOM 0 H GLU A 69 -4.593 -1.491 8.441 1.00 41.33 H new ATOM 0 HA GLU A 69 -3.380 -0.786 5.869 1.00 53.22 H new ATOM 0 HB2 GLU A 69 -5.361 -2.969 6.586 1.00 65.41 H new ATOM 0 HB3 GLU A 69 -4.595 -2.747 5.026 1.00 65.41 H new ATOM 0 HG2 GLU A 69 -3.315 -4.438 5.976 1.00 31.05 H new ATOM 0 HG3 GLU A 69 -2.351 -3.012 6.303 1.00 31.05 H new ATOM 1041 N LEU A 70 -5.427 0.195 4.725 1.00 53.31 N ATOM 1042 CA LEU A 70 -6.572 0.881 4.139 1.00 63.44 C ATOM 1043 C LEU A 70 -7.491 -0.124 3.462 1.00 43.11 C ATOM 1044 O LEU A 70 -8.620 -0.353 3.893 1.00 40.54 O ATOM 1045 CB LEU A 70 -6.136 1.932 3.114 1.00 74.21 C ATOM 1046 CG LEU A 70 -5.307 3.095 3.656 1.00 14.35 C ATOM 1047 CD1 LEU A 70 -5.058 4.103 2.546 1.00 31.34 C ATOM 1048 CD2 LEU A 70 -6.006 3.758 4.838 1.00 40.03 C ATOM 0 H LEU A 70 -4.593 0.184 4.137 1.00 53.31 H new ATOM 0 HA LEU A 70 -7.101 1.386 4.947 1.00 63.44 H new ATOM 0 HB2 LEU A 70 -5.559 1.433 2.335 1.00 74.21 H new ATOM 0 HB3 LEU A 70 -7.029 2.339 2.639 1.00 74.21 H new ATOM 0 HG LEU A 70 -4.351 2.710 4.010 1.00 14.35 H new ATOM 0 HD11 LEU A 70 -4.466 4.932 2.934 1.00 31.34 H new ATOM 0 HD12 LEU A 70 -4.517 3.621 1.732 1.00 31.34 H new ATOM 0 HD13 LEU A 70 -6.012 4.479 2.176 1.00 31.34 H new ATOM 0 HD21 LEU A 70 -5.396 4.583 5.206 1.00 40.03 H new ATOM 0 HD22 LEU A 70 -6.977 4.139 4.520 1.00 40.03 H new ATOM 0 HD23 LEU A 70 -6.146 3.027 5.634 1.00 40.03 H new ATOM 1059 N CYS A 71 -6.987 -0.734 2.404 1.00 55.31 N ATOM 1060 CA CYS A 71 -7.744 -1.711 1.650 1.00 1.22 C ATOM 1061 C CYS A 71 -6.797 -2.799 1.164 1.00 23.01 C ATOM 1062 O CYS A 71 -5.575 -2.660 1.288 1.00 41.03 O ATOM 1063 CB CYS A 71 -8.461 -1.038 0.472 1.00 64.04 C ATOM 1064 SG CYS A 71 -9.698 -2.081 -0.340 1.00 74.51 S ATOM 0 H CYS A 71 -6.047 -0.566 2.047 1.00 55.31 H new ATOM 0 HA CYS A 71 -8.506 -2.159 2.287 1.00 1.22 H new ATOM 0 HB2 CYS A 71 -8.946 -0.129 0.828 1.00 64.04 H new ATOM 0 HB3 CYS A 71 -7.718 -0.735 -0.265 1.00 64.04 H new ATOM 0 HG CYS A 71 -10.094 -1.509 -1.438 1.00 74.51 H new ATOM 1069 N HIS A 72 -7.349 -3.871 0.618 1.00 23.11 N ATOM 1070 CA HIS A 72 -6.545 -5.009 0.198 1.00 12.23 C ATOM 1071 C HIS A 72 -7.104 -5.652 -1.068 1.00 43.32 C ATOM 1072 O HIS A 72 -8.165 -5.255 -1.553 1.00 62.52 O ATOM 1073 CB HIS A 72 -6.427 -6.043 1.333 1.00 41.21 C ATOM 1074 CG HIS A 72 -7.714 -6.345 2.047 1.00 1.53 C ATOM 1075 ND1 HIS A 72 -7.839 -6.290 3.419 1.00 34.54 N ATOM 1076 CD2 HIS A 72 -8.930 -6.714 1.579 1.00 42.33 C ATOM 1077 CE1 HIS A 72 -9.069 -6.612 3.760 1.00 5.01 C ATOM 1078 NE2 HIS A 72 -9.755 -6.872 2.664 1.00 24.44 N ATOM 0 H HIS A 72 -8.350 -3.977 0.455 1.00 23.11 H new ATOM 0 HA HIS A 72 -5.546 -4.640 -0.035 1.00 12.23 H new ATOM 0 HB2 HIS A 72 -6.030 -6.971 0.920 1.00 41.21 H new ATOM 0 HB3 HIS A 72 -5.700 -5.682 2.061 1.00 41.21 H new ATOM 0 HD2 HIS A 72 -9.200 -6.857 0.543 1.00 42.33 H new ATOM 0 HE1 HIS A 72 -9.452 -6.656 4.769 1.00 5.01 H new ATOM 0 HE2 HIS A 72 -10.737 -7.145 2.629 1.00 24.44 H new ATOM 1085 N TYR A 73 -6.363 -6.635 -1.585 1.00 53.55 N ATOM 1086 CA TYR A 73 -6.733 -7.407 -2.781 1.00 74.25 C ATOM 1087 C TYR A 73 -6.419 -6.658 -4.072 1.00 15.42 C ATOM 1088 O TYR A 73 -5.394 -6.903 -4.701 1.00 31.23 O ATOM 1089 CB TYR A 73 -8.205 -7.840 -2.772 1.00 54.52 C ATOM 1090 CG TYR A 73 -8.534 -8.865 -1.716 1.00 31.33 C ATOM 1091 CD1 TYR A 73 -7.640 -9.881 -1.411 1.00 45.04 C ATOM 1092 CD2 TYR A 73 -9.741 -8.823 -1.031 1.00 41.53 C ATOM 1093 CE1 TYR A 73 -7.935 -10.823 -0.450 1.00 2.12 C ATOM 1094 CE2 TYR A 73 -10.045 -9.764 -0.068 1.00 35.25 C ATOM 1095 CZ TYR A 73 -9.139 -10.761 0.219 1.00 13.51 C ATOM 1096 OH TYR A 73 -9.437 -11.697 1.179 1.00 52.54 O ATOM 0 H TYR A 73 -5.473 -6.924 -1.180 1.00 53.55 H new ATOM 0 HA TYR A 73 -6.118 -8.306 -2.747 1.00 74.25 H new ATOM 0 HB2 TYR A 73 -8.831 -6.961 -2.619 1.00 54.52 H new ATOM 0 HB3 TYR A 73 -8.460 -8.246 -3.751 1.00 54.52 H new ATOM 0 HD1 TYR A 73 -6.697 -9.934 -1.935 1.00 45.04 H new ATOM 0 HD2 TYR A 73 -10.453 -8.042 -1.255 1.00 41.53 H new ATOM 0 HE1 TYR A 73 -7.227 -11.606 -0.222 1.00 2.12 H new ATOM 0 HE2 TYR A 73 -10.988 -9.719 0.457 1.00 35.25 H new ATOM 0 HH TYR A 73 -10.323 -11.510 1.555 1.00 52.54 H new ATOM 1105 N PHE A 74 -7.291 -5.748 -4.462 1.00 53.14 N ATOM 1106 CA PHE A 74 -7.160 -5.089 -5.750 1.00 34.15 C ATOM 1107 C PHE A 74 -6.826 -3.618 -5.573 1.00 40.51 C ATOM 1108 O PHE A 74 -5.659 -3.232 -5.603 1.00 31.34 O ATOM 1109 CB PHE A 74 -8.445 -5.253 -6.566 1.00 24.32 C ATOM 1110 CG PHE A 74 -8.629 -6.621 -7.165 1.00 33.03 C ATOM 1111 CD1 PHE A 74 -9.124 -7.669 -6.404 1.00 62.33 C ATOM 1112 CD2 PHE A 74 -8.317 -6.855 -8.495 1.00 41.50 C ATOM 1113 CE1 PHE A 74 -9.299 -8.924 -6.958 1.00 61.03 C ATOM 1114 CE2 PHE A 74 -8.494 -8.106 -9.054 1.00 32.20 C ATOM 1115 CZ PHE A 74 -8.987 -9.142 -8.284 1.00 11.25 C ATOM 0 H PHE A 74 -8.094 -5.448 -3.910 1.00 53.14 H new ATOM 0 HA PHE A 74 -6.341 -5.560 -6.293 1.00 34.15 H new ATOM 0 HB2 PHE A 74 -9.299 -5.032 -5.925 1.00 24.32 H new ATOM 0 HB3 PHE A 74 -8.449 -4.515 -7.368 1.00 24.32 H new ATOM 0 HD1 PHE A 74 -9.376 -7.503 -5.367 1.00 62.33 H new ATOM 0 HD2 PHE A 74 -7.931 -6.049 -9.102 1.00 41.50 H new ATOM 0 HE1 PHE A 74 -9.680 -9.733 -6.353 1.00 61.03 H new ATOM 0 HE2 PHE A 74 -8.247 -8.274 -10.092 1.00 32.20 H new ATOM 0 HZ PHE A 74 -9.128 -10.120 -8.719 1.00 11.25 H new ATOM 1124 N LEU A 75 -7.854 -2.806 -5.376 1.00 5.31 N ATOM 1125 CA LEU A 75 -7.681 -1.374 -5.210 1.00 51.31 C ATOM 1126 C LEU A 75 -9.033 -0.703 -5.043 1.00 32.42 C ATOM 1127 O LEU A 75 -10.035 -1.162 -5.593 1.00 51.33 O ATOM 1128 CB LEU A 75 -6.963 -0.766 -6.418 1.00 25.25 C ATOM 1129 CG LEU A 75 -6.420 0.644 -6.199 1.00 20.15 C ATOM 1130 CD1 LEU A 75 -5.321 0.629 -5.150 1.00 51.50 C ATOM 1131 CD2 LEU A 75 -5.904 1.224 -7.502 1.00 62.22 C ATOM 0 H LEU A 75 -8.823 -3.120 -5.327 1.00 5.31 H new ATOM 0 HA LEU A 75 -7.074 -1.209 -4.320 1.00 51.31 H new ATOM 0 HB2 LEU A 75 -6.136 -1.419 -6.698 1.00 25.25 H new ATOM 0 HB3 LEU A 75 -7.653 -0.747 -7.261 1.00 25.25 H new ATOM 0 HG LEU A 75 -7.232 1.276 -5.841 1.00 20.15 H new ATOM 0 HD11 LEU A 75 -4.943 1.641 -5.004 1.00 51.50 H new ATOM 0 HD12 LEU A 75 -5.721 0.252 -4.209 1.00 51.50 H new ATOM 0 HD13 LEU A 75 -4.509 -0.017 -5.483 1.00 51.50 H new ATOM 0 HD21 LEU A 75 -5.521 2.229 -7.326 1.00 62.22 H new ATOM 0 HD22 LEU A 75 -5.104 0.593 -7.889 1.00 62.22 H new ATOM 0 HD23 LEU A 75 -6.716 1.267 -8.228 1.00 62.22 H new ATOM 1142 N ASP A 76 -9.065 0.371 -4.275 1.00 25.42 N ATOM 1143 CA ASP A 76 -10.265 1.174 -4.145 1.00 11.10 C ATOM 1144 C ASP A 76 -9.888 2.645 -4.096 1.00 55.11 C ATOM 1145 O ASP A 76 -9.297 3.109 -3.120 1.00 31.30 O ATOM 1146 CB ASP A 76 -11.061 0.795 -2.898 1.00 65.44 C ATOM 1147 CG ASP A 76 -12.411 1.481 -2.869 1.00 45.40 C ATOM 1148 OD1 ASP A 76 -13.379 0.919 -3.428 1.00 42.02 O ATOM 1149 OD2 ASP A 76 -12.507 2.583 -2.300 1.00 73.44 O ATOM 0 H ASP A 76 -8.271 0.707 -3.731 1.00 25.42 H new ATOM 0 HA ASP A 76 -10.898 0.984 -5.012 1.00 11.10 H new ATOM 0 HB2 ASP A 76 -11.201 -0.286 -2.869 1.00 65.44 H new ATOM 0 HB3 ASP A 76 -10.495 1.067 -2.007 1.00 65.44 H new ATOM 1153 N SER A 77 -10.216 3.361 -5.162 1.00 52.44 N ATOM 1154 CA SER A 77 -9.823 4.757 -5.318 1.00 21.22 C ATOM 1155 C SER A 77 -10.432 5.639 -4.230 1.00 72.31 C ATOM 1156 O SER A 77 -9.859 6.660 -3.850 1.00 10.31 O ATOM 1157 CB SER A 77 -10.271 5.250 -6.690 1.00 1.10 C ATOM 1158 OG SER A 77 -10.125 4.225 -7.660 1.00 72.43 O ATOM 0 H SER A 77 -10.761 2.993 -5.942 1.00 52.44 H new ATOM 0 HA SER A 77 -8.739 4.820 -5.228 1.00 21.22 H new ATOM 0 HB2 SER A 77 -11.312 5.571 -6.645 1.00 1.10 H new ATOM 0 HB3 SER A 77 -9.682 6.120 -6.980 1.00 1.10 H new ATOM 0 HG SER A 77 -10.418 4.557 -8.534 1.00 72.43 H new ATOM 1163 N ASP A 78 -11.580 5.221 -3.720 1.00 21.11 N ATOM 1164 CA ASP A 78 -12.323 6.001 -2.738 1.00 14.31 C ATOM 1165 C ASP A 78 -11.653 5.955 -1.365 1.00 2.34 C ATOM 1166 O ASP A 78 -11.425 6.994 -0.739 1.00 23.10 O ATOM 1167 CB ASP A 78 -13.760 5.487 -2.655 1.00 64.22 C ATOM 1168 CG ASP A 78 -14.553 6.126 -1.537 1.00 65.24 C ATOM 1169 OD1 ASP A 78 -15.046 7.258 -1.724 1.00 41.14 O ATOM 1170 OD2 ASP A 78 -14.692 5.497 -0.468 1.00 12.33 O ATOM 0 H ASP A 78 -12.022 4.337 -3.972 1.00 21.11 H new ATOM 0 HA ASP A 78 -12.332 7.042 -3.060 1.00 14.31 H new ATOM 0 HB2 ASP A 78 -14.263 5.676 -3.603 1.00 64.22 H new ATOM 0 HB3 ASP A 78 -13.746 4.407 -2.511 1.00 64.22 H new ATOM 1174 N VAL A 79 -11.326 4.751 -0.909 1.00 45.32 N ATOM 1175 CA VAL A 79 -10.703 4.571 0.398 1.00 11.14 C ATOM 1176 C VAL A 79 -9.314 5.200 0.455 1.00 43.01 C ATOM 1177 O VAL A 79 -8.995 5.917 1.403 1.00 15.33 O ATOM 1178 CB VAL A 79 -10.627 3.080 0.794 1.00 11.21 C ATOM 1179 CG1 VAL A 79 -9.766 2.880 2.034 1.00 15.51 C ATOM 1180 CG2 VAL A 79 -12.026 2.546 1.038 1.00 14.52 C ATOM 0 H VAL A 79 -11.482 3.885 -1.425 1.00 45.32 H new ATOM 0 HA VAL A 79 -11.340 5.085 1.118 1.00 11.14 H new ATOM 0 HB VAL A 79 -10.164 2.530 -0.026 1.00 11.21 H new ATOM 0 HG11 VAL A 79 -9.733 1.820 2.287 1.00 15.51 H new ATOM 0 HG12 VAL A 79 -8.756 3.238 1.837 1.00 15.51 H new ATOM 0 HG13 VAL A 79 -10.193 3.438 2.867 1.00 15.51 H new ATOM 0 HG21 VAL A 79 -11.970 1.494 1.317 1.00 14.52 H new ATOM 0 HG22 VAL A 79 -12.496 3.111 1.843 1.00 14.52 H new ATOM 0 HG23 VAL A 79 -12.619 2.649 0.129 1.00 14.52 H new ATOM 1190 N ILE A 80 -8.485 4.951 -0.553 1.00 12.13 N ATOM 1191 CA ILE A 80 -7.165 5.566 -0.575 1.00 12.34 C ATOM 1192 C ILE A 80 -7.293 7.067 -0.817 1.00 32.23 C ATOM 1193 O ILE A 80 -6.494 7.854 -0.316 1.00 3.13 O ATOM 1194 CB ILE A 80 -6.217 4.932 -1.625 1.00 53.21 C ATOM 1195 CG1 ILE A 80 -4.857 5.629 -1.609 1.00 14.12 C ATOM 1196 CG2 ILE A 80 -6.816 4.994 -3.009 1.00 20.51 C ATOM 1197 CD1 ILE A 80 -4.123 5.465 -0.306 1.00 23.32 C ATOM 0 H ILE A 80 -8.696 4.344 -1.345 1.00 12.13 H new ATOM 0 HA ILE A 80 -6.715 5.385 0.401 1.00 12.34 H new ATOM 0 HB ILE A 80 -6.080 3.884 -1.360 1.00 53.21 H new ATOM 0 HG12 ILE A 80 -4.243 5.232 -2.417 1.00 14.12 H new ATOM 0 HG13 ILE A 80 -4.998 6.691 -1.808 1.00 14.12 H new ATOM 0 HG21 ILE A 80 -6.128 4.542 -3.724 1.00 20.51 H new ATOM 0 HG22 ILE A 80 -7.761 4.451 -3.021 1.00 20.51 H new ATOM 0 HG23 ILE A 80 -6.992 6.034 -3.283 1.00 20.51 H new ATOM 0 HD11 ILE A 80 -3.165 5.983 -0.360 1.00 23.32 H new ATOM 0 HD12 ILE A 80 -4.719 5.888 0.503 1.00 23.32 H new ATOM 0 HD13 ILE A 80 -3.952 4.405 -0.116 1.00 23.32 H new ATOM 1208 N GLY A 81 -8.331 7.458 -1.550 1.00 11.22 N ATOM 1209 CA GLY A 81 -8.599 8.864 -1.776 1.00 2.41 C ATOM 1210 C GLY A 81 -8.965 9.580 -0.493 1.00 20.52 C ATOM 1211 O GLY A 81 -8.873 10.801 -0.405 1.00 53.22 O ATOM 0 H GLY A 81 -8.994 6.821 -1.993 1.00 11.22 H new ATOM 0 HA2 GLY A 81 -7.721 9.335 -2.217 1.00 2.41 H new ATOM 0 HA3 GLY A 81 -9.412 8.968 -2.495 1.00 2.41 H new ATOM 1215 N ALA A 82 -9.385 8.810 0.507 1.00 2.25 N ATOM 1216 CA ALA A 82 -9.704 9.350 1.818 1.00 5.02 C ATOM 1217 C ALA A 82 -8.423 9.672 2.582 1.00 63.45 C ATOM 1218 O ALA A 82 -8.354 10.653 3.326 1.00 43.11 O ATOM 1219 CB ALA A 82 -10.563 8.359 2.597 1.00 4.42 C ATOM 0 H ALA A 82 -9.512 7.801 0.429 1.00 2.25 H new ATOM 0 HA ALA A 82 -10.269 10.274 1.693 1.00 5.02 H new ATOM 0 HB1 ALA A 82 -10.797 8.773 3.578 1.00 4.42 H new ATOM 0 HB2 ALA A 82 -11.488 8.173 2.052 1.00 4.42 H new ATOM 0 HB3 ALA A 82 -10.019 7.423 2.719 1.00 4.42 H new ATOM 1225 N TYR A 83 -7.403 8.846 2.376 1.00 44.53 N ATOM 1226 CA TYR A 83 -6.120 9.020 3.043 1.00 63.42 C ATOM 1227 C TYR A 83 -5.221 9.974 2.262 1.00 64.42 C ATOM 1228 O TYR A 83 -4.525 10.801 2.846 1.00 50.22 O ATOM 1229 CB TYR A 83 -5.423 7.665 3.216 1.00 64.31 C ATOM 1230 CG TYR A 83 -4.026 7.758 3.792 1.00 43.15 C ATOM 1231 CD1 TYR A 83 -3.822 7.951 5.150 1.00 34.10 C ATOM 1232 CD2 TYR A 83 -2.912 7.659 2.970 1.00 72.33 C ATOM 1233 CE1 TYR A 83 -2.546 8.044 5.676 1.00 31.11 C ATOM 1234 CE2 TYR A 83 -1.633 7.749 3.486 1.00 23.11 C ATOM 1235 CZ TYR A 83 -1.455 7.942 4.839 1.00 73.41 C ATOM 1236 OH TYR A 83 -0.182 8.037 5.357 1.00 32.23 O ATOM 0 H TYR A 83 -7.442 8.044 1.747 1.00 44.53 H new ATOM 0 HA TYR A 83 -6.307 9.453 4.026 1.00 63.42 H new ATOM 0 HB2 TYR A 83 -6.031 7.036 3.866 1.00 64.31 H new ATOM 0 HB3 TYR A 83 -5.373 7.168 2.247 1.00 64.31 H new ATOM 0 HD1 TYR A 83 -4.674 8.030 5.809 1.00 34.10 H new ATOM 0 HD2 TYR A 83 -3.047 7.509 1.909 1.00 72.33 H new ATOM 0 HE1 TYR A 83 -2.405 8.196 6.736 1.00 31.11 H new ATOM 0 HE2 TYR A 83 -0.777 7.668 2.832 1.00 23.11 H new ATOM 0 HH TYR A 83 -0.120 7.500 6.174 1.00 32.23 H new ATOM 1245 N LEU A 84 -5.240 9.854 0.942 1.00 21.52 N ATOM 1246 CA LEU A 84 -4.402 10.679 0.077 1.00 71.14 C ATOM 1247 C LEU A 84 -5.074 12.014 -0.242 1.00 5.55 C ATOM 1248 O LEU A 84 -4.646 12.728 -1.146 1.00 63.21 O ATOM 1249 CB LEU A 84 -4.075 9.928 -1.221 1.00 34.14 C ATOM 1250 CG LEU A 84 -2.653 9.359 -1.321 1.00 61.30 C ATOM 1251 CD1 LEU A 84 -1.635 10.483 -1.452 1.00 2.22 C ATOM 1252 CD2 LEU A 84 -2.329 8.498 -0.116 1.00 1.41 C ATOM 0 H LEU A 84 -5.830 9.189 0.442 1.00 21.52 H new ATOM 0 HA LEU A 84 -3.475 10.888 0.612 1.00 71.14 H new ATOM 0 HB2 LEU A 84 -4.784 9.107 -1.332 1.00 34.14 H new ATOM 0 HB3 LEU A 84 -4.236 10.604 -2.061 1.00 34.14 H new ATOM 0 HG LEU A 84 -2.602 8.735 -2.213 1.00 61.30 H new ATOM 0 HD11 LEU A 84 -0.633 10.060 -1.522 1.00 2.22 H new ATOM 0 HD12 LEU A 84 -1.847 11.063 -2.350 1.00 2.22 H new ATOM 0 HD13 LEU A 84 -1.695 11.132 -0.578 1.00 2.22 H new ATOM 0 HD21 LEU A 84 -1.316 8.106 -0.210 1.00 1.41 H new ATOM 0 HD22 LEU A 84 -2.403 9.098 0.791 1.00 1.41 H new ATOM 0 HD23 LEU A 84 -3.035 7.669 -0.061 1.00 1.41 H new ATOM 1263 N SER A 85 -6.125 12.338 0.498 1.00 34.33 N ATOM 1264 CA SER A 85 -6.808 13.611 0.333 1.00 75.31 C ATOM 1265 C SER A 85 -6.062 14.695 1.111 1.00 20.15 C ATOM 1266 O SER A 85 -5.052 14.419 1.755 1.00 0.00 O ATOM 1267 CB SER A 85 -8.258 13.500 0.818 1.00 33.42 C ATOM 1268 OG SER A 85 -9.077 14.516 0.263 1.00 13.52 O ATOM 0 H SER A 85 -6.523 11.736 1.219 1.00 34.33 H new ATOM 0 HA SER A 85 -6.821 13.880 -0.723 1.00 75.31 H new ATOM 0 HB2 SER A 85 -8.658 12.523 0.548 1.00 33.42 H new ATOM 0 HB3 SER A 85 -8.284 13.566 1.906 1.00 33.42 H new ATOM 0 HG SER A 85 -9.994 14.413 0.593 1.00 13.52 H new