USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 689 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -4.31 K(o=-4.3,f=-6.3!) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= -0.41 (180deg=-1.65!) USER MOD Single : A 23 GLN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc=-0.00202 (180deg=-0.0823) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00958 X(o=-0.0096,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 141:sc= -1.12 (180deg=-3.77!) USER MOD Single : A 48 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-5.6!) USER MOD Single : A 49 TYR OH : rot 130:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.77! C(o=-1.8!,f=-4.1!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -29:sc= 0.431 USER MOD Single : A 61 GLN :FLIP amide:sc= -2.17! C(o=-3.9!,f=-2.2!) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0464) USER MOD Single : A 74 SER OG : rot 90:sc= 0.00273 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.197 F(o=-1.1,f=-0.2) USER MOD Single : A 77 MET CE :methyl 171:sc= -2.9 (180deg=-2.97!) USER MOD Single : A 78 LYS NZ :NH3+ 133:sc= -0.1 (180deg=-1.23) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.184 12.395 -10.180 1.00 0.00 N ATOM 67 CA ASP A 8 -0.567 11.301 -9.438 1.00 0.00 C ATOM 68 C ASP A 8 -1.516 10.767 -8.370 1.00 0.00 C ATOM 69 O ASP A 8 -2.545 11.376 -8.077 1.00 0.00 O ATOM 70 CB ASP A 8 0.738 11.767 -8.792 1.00 0.00 C ATOM 71 CG ASP A 8 1.488 12.763 -9.655 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.254 12.323 -10.538 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.311 13.981 -9.446 1.00 0.00 O ATOM 0 HA ASP A 8 -0.348 10.496 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.520 12.220 -7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.375 10.903 -8.602 1.00 0.00 H new ATOM 78 N VAL A 9 -1.163 9.623 -7.791 1.00 0.00 N ATOM 79 CA VAL A 9 -1.983 9.006 -6.755 1.00 0.00 C ATOM 80 C VAL A 9 -1.345 9.169 -5.380 1.00 0.00 C ATOM 81 O VAL A 9 -0.432 8.428 -5.016 1.00 0.00 O ATOM 82 CB VAL A 9 -2.203 7.507 -7.032 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.882 6.838 -5.846 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.019 7.315 -8.302 1.00 0.00 C ATOM 0 H VAL A 9 -0.315 9.105 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.946 9.516 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.231 7.035 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.029 5.779 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.256 6.945 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.848 7.309 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.165 6.250 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.988 7.800 -8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.489 7.757 -9.146 1.00 0.00 H new ATOM 94 N ARG A 10 -1.833 10.144 -4.619 1.00 0.00 N ATOM 95 CA ARG A 10 -1.310 10.405 -3.284 1.00 0.00 C ATOM 96 C ARG A 10 -1.521 9.200 -2.372 1.00 0.00 C ATOM 97 O ARG A 10 -2.641 8.921 -1.944 1.00 0.00 O ATOM 98 CB ARG A 10 -1.985 11.639 -2.681 1.00 0.00 C ATOM 99 CG ARG A 10 -1.157 12.320 -1.604 1.00 0.00 C ATOM 100 CD ARG A 10 -1.954 13.400 -0.889 1.00 0.00 C ATOM 101 NE ARG A 10 -1.114 14.207 -0.007 1.00 0.00 N ATOM 102 CZ ARG A 10 -1.585 15.168 0.779 1.00 0.00 C ATOM 103 NH1 ARG A 10 -2.883 15.440 0.794 1.00 0.00 N ATOM 104 NH2 ARG A 10 -0.758 15.858 1.554 1.00 0.00 N ATOM 0 H ARG A 10 -2.590 10.766 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.239 10.590 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.191 12.355 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.946 11.347 -2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.817 11.578 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.266 12.760 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.431 14.046 -1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.751 12.937 -0.307 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.111 14.022 0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.522 14.910 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.242 16.179 1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.241 15.650 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.121 16.596 2.157 1.00 0.00 H new ATOM 118 N VAL A 11 -0.437 8.488 -2.079 1.00 0.00 N ATOM 119 CA VAL A 11 -0.503 7.313 -1.218 1.00 0.00 C ATOM 120 C VAL A 11 0.226 7.555 0.098 1.00 0.00 C ATOM 121 O VAL A 11 1.399 7.931 0.111 1.00 0.00 O ATOM 122 CB VAL A 11 0.102 6.077 -1.909 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.133 4.893 -0.953 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.678 5.735 -3.169 1.00 0.00 C ATOM 0 H VAL A 11 0.498 8.705 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.558 7.127 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 11 1.128 6.309 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.564 4.029 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.739 5.144 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.882 4.658 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.236 4.859 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.715 5.522 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.643 6.578 -3.859 1.00 0.00 H new ATOM 134 N LYS A 12 -0.475 7.336 1.206 1.00 0.00 N ATOM 135 CA LYS A 12 0.106 7.528 2.529 1.00 0.00 C ATOM 136 C LYS A 12 0.485 6.191 3.156 1.00 0.00 C ATOM 137 O LYS A 12 -0.279 5.227 3.098 1.00 0.00 O ATOM 138 CB LYS A 12 -0.879 8.268 3.438 1.00 0.00 C ATOM 139 CG LYS A 12 -0.261 8.752 4.738 1.00 0.00 C ATOM 140 CD LYS A 12 -1.322 9.228 5.717 1.00 0.00 C ATOM 141 CE LYS A 12 -1.958 10.531 5.258 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.210 10.830 6.007 1.00 0.00 N ATOM 0 H LYS A 12 -1.447 7.025 1.213 1.00 0.00 H new ATOM 0 HA LYS A 12 1.010 8.127 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.286 9.123 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.716 7.608 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.317 7.945 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.435 9.565 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.092 8.463 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.875 9.367 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.250 11.348 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.178 10.472 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.613 11.726 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.896 10.062 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.997 10.911 7.022 1.00 0.00 H new ATOM 156 N PHE A 13 1.670 6.139 3.756 1.00 0.00 N ATOM 157 CA PHE A 13 2.151 4.919 4.394 1.00 0.00 C ATOM 158 C PHE A 13 2.115 5.050 5.914 1.00 0.00 C ATOM 159 O PHE A 13 2.123 6.156 6.452 1.00 0.00 O ATOM 160 CB PHE A 13 3.575 4.603 3.932 1.00 0.00 C ATOM 161 CG PHE A 13 3.656 4.171 2.495 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.860 3.141 2.021 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.529 4.797 1.619 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.934 2.742 0.700 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.607 4.402 0.297 1.00 0.00 C ATOM 166 CZ PHE A 13 3.808 3.374 -0.163 1.00 0.00 C ATOM 0 H PHE A 13 2.315 6.927 3.814 1.00 0.00 H new ATOM 0 HA PHE A 13 1.492 4.102 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.199 5.485 4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.987 3.816 4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.174 2.644 2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.155 5.602 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.309 1.937 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.292 4.897 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.866 3.065 -1.196 1.00 0.00 H new ATOM 176 N GLU A 14 2.075 3.911 6.600 1.00 0.00 N ATOM 177 CA GLU A 14 2.037 3.899 8.057 1.00 0.00 C ATOM 178 C GLU A 14 2.723 2.653 8.609 1.00 0.00 C ATOM 179 O GLU A 14 2.354 1.527 8.274 1.00 0.00 O ATOM 180 CB GLU A 14 0.590 3.959 8.552 1.00 0.00 C ATOM 181 CG GLU A 14 0.007 5.362 8.559 1.00 0.00 C ATOM 182 CD GLU A 14 -1.506 5.364 8.661 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.025 5.229 9.789 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.171 5.501 7.613 1.00 0.00 O ATOM 0 H GLU A 14 2.068 2.986 6.170 1.00 0.00 H new ATOM 0 HA GLU A 14 2.573 4.777 8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.028 3.321 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.543 3.550 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.425 5.921 9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.307 5.881 7.648 1.00 0.00 H new ATOM 191 N HIS A 15 3.726 2.863 9.457 1.00 0.00 N ATOM 192 CA HIS A 15 4.465 1.757 10.056 1.00 0.00 C ATOM 193 C HIS A 15 5.159 2.200 11.340 1.00 0.00 C ATOM 194 O HIS A 15 5.914 3.173 11.345 1.00 0.00 O ATOM 195 CB HIS A 15 5.495 1.210 9.067 1.00 0.00 C ATOM 196 CG HIS A 15 5.769 -0.253 9.236 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.604 -0.916 10.433 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.196 -1.181 8.349 1.00 0.00 C ATOM 199 CE1 HIS A 15 5.920 -2.189 10.276 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.283 -2.376 9.020 1.00 0.00 N ATOM 0 H HIS A 15 4.045 3.788 9.744 1.00 0.00 H new ATOM 0 HA HIS A 15 3.755 0.968 10.302 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.143 1.390 8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.428 1.762 9.184 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.426 -1.013 7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.887 -2.948 11.044 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.580 -3.264 8.614 1.00 0.00 H new ATOM 209 N ARG A 16 4.898 1.481 12.426 1.00 0.00 N ATOM 210 CA ARG A 16 5.497 1.801 13.717 1.00 0.00 C ATOM 211 C ARG A 16 5.137 3.221 14.145 1.00 0.00 C ATOM 212 O ARG A 16 5.859 3.849 14.919 1.00 0.00 O ATOM 213 CB ARG A 16 7.017 1.647 13.650 1.00 0.00 C ATOM 214 CG ARG A 16 7.504 0.255 14.017 1.00 0.00 C ATOM 215 CD ARG A 16 7.633 -0.632 12.788 1.00 0.00 C ATOM 216 NE ARG A 16 8.204 0.086 11.652 1.00 0.00 N ATOM 217 CZ ARG A 16 9.510 0.243 11.464 1.00 0.00 C ATOM 218 NH1 ARG A 16 10.374 -0.266 12.331 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.953 0.909 10.405 1.00 0.00 N ATOM 0 H ARG A 16 4.276 0.673 12.438 1.00 0.00 H new ATOM 0 HA ARG A 16 5.101 1.105 14.456 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.354 1.887 12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.477 2.373 14.321 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.469 0.326 14.518 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.810 -0.200 14.724 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.260 -1.492 13.026 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.651 -1.019 12.516 1.00 0.00 H new ATOM 0 HE ARG A 16 7.566 0.489 10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.037 -0.780 13.145 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.376 -0.144 12.184 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.291 1.301 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.956 1.029 10.261 1.00 0.00 H new ATOM 233 N GLY A 17 4.016 3.722 13.635 1.00 0.00 N ATOM 234 CA GLY A 17 3.580 5.064 13.976 1.00 0.00 C ATOM 235 C GLY A 17 4.011 6.091 12.948 1.00 0.00 C ATOM 236 O GLY A 17 3.314 7.080 12.721 1.00 0.00 O ATOM 0 H GLY A 17 3.402 3.223 12.992 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.494 5.078 14.066 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.984 5.338 14.951 1.00 0.00 H new ATOM 240 N GLU A 18 5.163 5.858 12.326 1.00 0.00 N ATOM 241 CA GLU A 18 5.685 6.773 11.319 1.00 0.00 C ATOM 242 C GLU A 18 4.812 6.761 10.067 1.00 0.00 C ATOM 243 O GLU A 18 4.192 5.749 9.738 1.00 0.00 O ATOM 244 CB GLU A 18 7.123 6.398 10.954 1.00 0.00 C ATOM 245 CG GLU A 18 7.223 5.425 9.792 1.00 0.00 C ATOM 246 CD GLU A 18 8.532 4.660 9.781 1.00 0.00 C ATOM 247 OE1 GLU A 18 9.523 5.190 9.235 1.00 0.00 O ATOM 248 OE2 GLU A 18 8.566 3.534 10.318 1.00 0.00 O ATOM 0 H GLU A 18 5.752 5.044 12.502 1.00 0.00 H new ATOM 0 HA GLU A 18 5.674 7.779 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.674 7.305 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.608 5.960 11.826 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.394 4.719 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.119 5.972 8.855 1.00 0.00 H new ATOM 255 N LYS A 19 4.768 7.893 9.373 1.00 0.00 N ATOM 256 CA LYS A 19 3.972 8.015 8.157 1.00 0.00 C ATOM 257 C LYS A 19 4.794 8.629 7.029 1.00 0.00 C ATOM 258 O LYS A 19 5.710 9.415 7.271 1.00 0.00 O ATOM 259 CB LYS A 19 2.729 8.869 8.420 1.00 0.00 C ATOM 260 CG LYS A 19 2.022 8.529 9.721 1.00 0.00 C ATOM 261 CD LYS A 19 2.560 9.351 10.880 1.00 0.00 C ATOM 262 CE LYS A 19 1.911 10.726 10.936 1.00 0.00 C ATOM 263 NZ LYS A 19 2.668 11.730 10.138 1.00 0.00 N ATOM 0 H LYS A 19 5.274 8.740 9.632 1.00 0.00 H new ATOM 0 HA LYS A 19 3.661 7.015 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.017 9.920 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.030 8.743 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.952 8.708 9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.147 7.468 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.379 8.824 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.640 9.461 10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.889 10.661 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.851 11.057 11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.765 12.608 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.612 11.356 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.156 11.928 9.254 1.00 0.00 H new ATOM 277 N ARG A 20 4.460 8.266 5.794 1.00 0.00 N ATOM 278 CA ARG A 20 5.167 8.782 4.628 1.00 0.00 C ATOM 279 C ARG A 20 4.268 8.766 3.396 1.00 0.00 C ATOM 280 O ARG A 20 3.822 7.706 2.954 1.00 0.00 O ATOM 281 CB ARG A 20 6.428 7.956 4.364 1.00 0.00 C ATOM 282 CG ARG A 20 7.661 8.481 5.082 1.00 0.00 C ATOM 283 CD ARG A 20 8.122 9.807 4.499 1.00 0.00 C ATOM 284 NE ARG A 20 8.872 10.600 5.470 1.00 0.00 N ATOM 285 CZ ARG A 20 9.026 11.917 5.381 1.00 0.00 C ATOM 286 NH1 ARG A 20 8.485 12.584 4.372 1.00 0.00 N ATOM 287 NH2 ARG A 20 9.722 12.568 6.305 1.00 0.00 N ATOM 0 H ARG A 20 3.704 7.617 5.576 1.00 0.00 H new ATOM 0 HA ARG A 20 5.453 9.814 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.249 6.926 4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.622 7.938 3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.441 8.605 6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.466 7.750 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.745 9.621 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.256 10.374 4.159 1.00 0.00 H new ATOM 0 HE ARG A 20 9.301 10.117 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.949 12.087 3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.605 13.595 4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.139 12.057 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.840 13.579 6.237 1.00 0.00 H new ATOM 301 N ILE A 21 4.005 9.947 2.846 1.00 0.00 N ATOM 302 CA ILE A 21 3.159 10.068 1.665 1.00 0.00 C ATOM 303 C ILE A 21 3.999 10.174 0.397 1.00 0.00 C ATOM 304 O ILE A 21 4.902 11.006 0.305 1.00 0.00 O ATOM 305 CB ILE A 21 2.234 11.295 1.759 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.279 11.152 2.946 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.455 11.471 0.464 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.580 12.441 3.318 1.00 0.00 C ATOM 0 H ILE A 21 4.366 10.833 3.199 1.00 0.00 H new ATOM 0 HA ILE A 21 2.549 9.166 1.619 1.00 0.00 H new ATOM 0 HB ILE A 21 2.847 12.183 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.529 10.397 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.837 10.789 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.805 12.342 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.151 11.613 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.850 10.583 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.081 12.265 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.322 13.193 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.006 12.795 2.470 1.00 0.00 H new ATOM 320 N LEU A 22 3.694 9.326 -0.580 1.00 0.00 N ATOM 321 CA LEU A 22 4.420 9.325 -1.846 1.00 0.00 C ATOM 322 C LEU A 22 3.535 9.832 -2.981 1.00 0.00 C ATOM 323 O LEU A 22 2.383 10.204 -2.762 1.00 0.00 O ATOM 324 CB LEU A 22 4.923 7.917 -2.166 1.00 0.00 C ATOM 325 CG LEU A 22 6.171 7.461 -1.409 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.418 8.098 -2.003 1.00 0.00 C ATOM 327 CD2 LEU A 22 6.050 7.800 0.070 1.00 0.00 C ATOM 0 H LEU A 22 2.950 8.631 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 22 5.274 9.996 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.119 7.210 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.130 7.861 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 22 6.258 6.379 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.296 7.762 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.513 7.806 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.340 9.183 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.947 7.469 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.938 8.878 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.178 7.297 0.489 1.00 0.00 H new ATOM 339 N GLN A 23 4.083 9.842 -4.191 1.00 0.00 N ATOM 340 CA GLN A 23 3.343 10.301 -5.360 1.00 0.00 C ATOM 341 C GLN A 23 3.614 9.405 -6.564 1.00 0.00 C ATOM 342 O GLN A 23 4.752 9.287 -7.019 1.00 0.00 O ATOM 343 CB GLN A 23 3.717 11.747 -5.692 1.00 0.00 C ATOM 344 CG GLN A 23 3.014 12.773 -4.818 1.00 0.00 C ATOM 345 CD GLN A 23 3.013 14.159 -5.431 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.828 15.010 -5.074 1.00 0.00 O ATOM 347 NE2 GLN A 23 2.095 14.395 -6.361 1.00 0.00 N ATOM 0 H GLN A 23 5.036 9.538 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 23 2.280 10.252 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.795 11.868 -5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.476 11.945 -6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.986 12.455 -4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.502 12.811 -3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.438 13.661 -6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.046 15.310 -6.809 1.00 0.00 H new ATOM 356 N PHE A 24 2.562 8.775 -7.075 1.00 0.00 N ATOM 357 CA PHE A 24 2.687 7.887 -8.226 1.00 0.00 C ATOM 358 C PHE A 24 1.867 8.405 -9.404 1.00 0.00 C ATOM 359 O PHE A 24 0.636 8.406 -9.383 1.00 0.00 O ATOM 360 CB PHE A 24 2.235 6.473 -7.857 1.00 0.00 C ATOM 361 CG PHE A 24 2.963 5.900 -6.675 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.675 6.333 -5.391 1.00 0.00 C ATOM 363 CD2 PHE A 24 3.935 4.927 -6.848 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.344 5.808 -4.301 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.607 4.398 -5.762 1.00 0.00 C ATOM 366 CZ PHE A 24 4.310 4.838 -4.487 1.00 0.00 C ATOM 0 H PHE A 24 1.613 8.862 -6.711 1.00 0.00 H new ATOM 0 HA PHE A 24 3.736 7.860 -8.521 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.166 6.486 -7.644 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.381 5.818 -8.716 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.919 7.089 -5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.170 4.578 -7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.112 6.156 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.363 3.642 -5.910 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.832 4.424 -3.637 1.00 0.00 H new ATOM 376 N PRO A 25 2.564 8.856 -10.457 1.00 0.00 N ATOM 377 CA PRO A 25 1.922 9.385 -11.664 1.00 0.00 C ATOM 378 C PRO A 25 1.220 8.298 -12.470 1.00 0.00 C ATOM 379 O PRO A 25 1.868 7.443 -13.075 1.00 0.00 O ATOM 380 CB PRO A 25 3.091 9.970 -12.460 1.00 0.00 C ATOM 381 CG PRO A 25 4.284 9.207 -11.998 1.00 0.00 C ATOM 382 CD PRO A 25 4.034 8.884 -10.551 1.00 0.00 C ATOM 0 HA PRO A 25 1.144 10.111 -11.427 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.937 9.853 -13.533 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.205 11.037 -12.269 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.416 8.297 -12.584 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.193 9.796 -12.115 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.473 7.926 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.465 9.637 -9.891 1.00 0.00 H new ATOM 390 N ARG A 26 -0.109 8.336 -12.475 1.00 0.00 N ATOM 391 CA ARG A 26 -0.899 7.353 -13.207 1.00 0.00 C ATOM 392 C ARG A 26 -0.428 7.246 -14.655 1.00 0.00 C ATOM 393 O ARG A 26 0.009 8.222 -15.265 1.00 0.00 O ATOM 394 CB ARG A 26 -2.381 7.728 -13.169 1.00 0.00 C ATOM 395 CG ARG A 26 -3.026 7.522 -11.808 1.00 0.00 C ATOM 396 CD ARG A 26 -4.508 7.863 -11.836 1.00 0.00 C ATOM 397 NE ARG A 26 -4.736 9.296 -12.003 1.00 0.00 N ATOM 398 CZ ARG A 26 -4.767 9.903 -13.184 1.00 0.00 C ATOM 399 NH1 ARG A 26 -4.585 9.206 -14.296 1.00 0.00 N ATOM 400 NH2 ARG A 26 -4.980 11.211 -13.254 1.00 0.00 N ATOM 0 H ARG A 26 -0.661 9.037 -11.980 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.763 6.384 -12.726 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.490 8.773 -13.459 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.917 7.134 -13.909 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.896 6.486 -11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.522 8.144 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.989 7.322 -12.651 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.975 7.527 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.879 9.862 -11.167 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.421 8.201 -14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.609 9.675 -15.202 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.120 11.751 -12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.004 11.676 -14.162 1.00 0.00 H new ATOM 414 N PRO A 27 -0.517 6.032 -15.218 1.00 0.00 N ATOM 415 CA PRO A 27 -1.035 4.863 -14.501 1.00 0.00 C ATOM 416 C PRO A 27 -0.089 4.391 -13.403 1.00 0.00 C ATOM 417 O PRO A 27 1.124 4.323 -13.601 1.00 0.00 O ATOM 418 CB PRO A 27 -1.155 3.800 -15.596 1.00 0.00 C ATOM 419 CG PRO A 27 -0.159 4.205 -16.628 1.00 0.00 C ATOM 420 CD PRO A 27 -0.119 5.708 -16.598 1.00 0.00 C ATOM 0 HA PRO A 27 -1.975 5.080 -13.993 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.940 2.805 -15.207 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.163 3.769 -16.009 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.822 3.784 -16.409 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.449 3.842 -17.614 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.876 6.088 -16.829 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.803 6.143 -17.326 1.00 0.00 H new ATOM 428 N VAL A 28 -0.651 4.066 -12.243 1.00 0.00 N ATOM 429 CA VAL A 28 0.142 3.599 -11.113 1.00 0.00 C ATOM 430 C VAL A 28 0.388 2.097 -11.197 1.00 0.00 C ATOM 431 O VAL A 28 -0.502 1.331 -11.568 1.00 0.00 O ATOM 432 CB VAL A 28 -0.545 3.921 -9.773 1.00 0.00 C ATOM 433 CG1 VAL A 28 0.316 3.462 -8.606 1.00 0.00 C ATOM 434 CG2 VAL A 28 -0.844 5.409 -9.672 1.00 0.00 C ATOM 0 H VAL A 28 -1.653 4.118 -12.062 1.00 0.00 H new ATOM 0 HA VAL A 28 1.096 4.124 -11.159 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.490 3.379 -9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.186 3.698 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.474 2.386 -8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.278 3.973 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.329 5.619 -8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.087 5.972 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.504 5.704 -10.488 1.00 0.00 H new ATOM 444 N LYS A 29 1.601 1.681 -10.850 1.00 0.00 N ATOM 445 CA LYS A 29 1.965 0.269 -10.884 1.00 0.00 C ATOM 446 C LYS A 29 2.167 -0.275 -9.474 1.00 0.00 C ATOM 447 O LYS A 29 2.934 0.282 -8.687 1.00 0.00 O ATOM 448 CB LYS A 29 3.241 0.070 -11.707 1.00 0.00 C ATOM 449 CG LYS A 29 3.103 0.502 -13.156 1.00 0.00 C ATOM 450 CD LYS A 29 2.353 -0.533 -13.978 1.00 0.00 C ATOM 451 CE LYS A 29 1.676 0.097 -15.185 1.00 0.00 C ATOM 452 NZ LYS A 29 1.173 -0.930 -16.138 1.00 0.00 N ATOM 0 H LYS A 29 2.349 2.302 -10.542 1.00 0.00 H new ATOM 0 HA LYS A 29 1.148 -0.280 -11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.053 0.632 -11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.523 -0.982 -11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.578 1.456 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.092 0.661 -13.585 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.046 -1.306 -14.311 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.605 -1.022 -13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.846 0.720 -14.852 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.381 0.752 -15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.718 -0.460 -16.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.968 -1.509 -16.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.481 -1.540 -15.658 1.00 0.00 H new ATOM 466 N LEU A 30 1.477 -1.365 -9.161 1.00 0.00 N ATOM 467 CA LEU A 30 1.582 -1.986 -7.845 1.00 0.00 C ATOM 468 C LEU A 30 3.038 -2.078 -7.401 1.00 0.00 C ATOM 469 O LEU A 30 3.386 -1.669 -6.293 1.00 0.00 O ATOM 470 CB LEU A 30 0.954 -3.381 -7.866 1.00 0.00 C ATOM 471 CG LEU A 30 1.021 -4.167 -6.556 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.207 -3.474 -5.475 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.532 -5.593 -6.763 1.00 0.00 C ATOM 0 H LEU A 30 0.838 -1.838 -9.800 1.00 0.00 H new ATOM 0 HA LEU A 30 1.043 -1.362 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.093 -3.282 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.445 -3.967 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 30 2.061 -4.205 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.267 -4.048 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.603 -2.473 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.834 -3.404 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.587 -6.137 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.500 -5.577 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.159 -6.088 -7.505 1.00 0.00 H new ATOM 485 N GLU A 31 3.885 -2.615 -8.273 1.00 0.00 N ATOM 486 CA GLU A 31 5.304 -2.759 -7.970 1.00 0.00 C ATOM 487 C GLU A 31 5.904 -1.427 -7.530 1.00 0.00 C ATOM 488 O GLU A 31 6.710 -1.373 -6.601 1.00 0.00 O ATOM 489 CB GLU A 31 6.057 -3.292 -9.191 1.00 0.00 C ATOM 490 CG GLU A 31 6.439 -2.212 -10.190 1.00 0.00 C ATOM 491 CD GLU A 31 7.131 -2.771 -11.418 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.465 -3.477 -12.204 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.338 -2.502 -11.592 1.00 0.00 O ATOM 0 H GLU A 31 3.613 -2.957 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 31 5.404 -3.471 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.961 -3.801 -8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.439 -4.036 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.543 -1.673 -10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.095 -1.490 -9.705 1.00 0.00 H new ATOM 500 N ASP A 32 5.505 -0.354 -8.204 1.00 0.00 N ATOM 501 CA ASP A 32 6.002 0.979 -7.884 1.00 0.00 C ATOM 502 C ASP A 32 5.738 1.320 -6.420 1.00 0.00 C ATOM 503 O ASP A 32 6.642 1.744 -5.698 1.00 0.00 O ATOM 504 CB ASP A 32 5.347 2.023 -8.789 1.00 0.00 C ATOM 505 CG ASP A 32 6.250 3.212 -9.050 1.00 0.00 C ATOM 506 OD1 ASP A 32 7.474 3.087 -8.835 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.733 4.268 -9.470 1.00 0.00 O ATOM 0 H ASP A 32 4.839 -0.381 -8.976 1.00 0.00 H new ATOM 0 HA ASP A 32 7.079 0.988 -8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.078 1.559 -9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.421 2.368 -8.329 1.00 0.00 H new ATOM 512 N LEU A 33 4.496 1.133 -5.989 1.00 0.00 N ATOM 513 CA LEU A 33 4.112 1.421 -4.612 1.00 0.00 C ATOM 514 C LEU A 33 5.059 0.741 -3.629 1.00 0.00 C ATOM 515 O LEU A 33 5.545 1.365 -2.686 1.00 0.00 O ATOM 516 CB LEU A 33 2.676 0.962 -4.355 1.00 0.00 C ATOM 517 CG LEU A 33 1.574 1.921 -4.805 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.289 1.160 -5.093 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.336 2.993 -3.752 1.00 0.00 C ATOM 0 H LEU A 33 3.737 0.783 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 33 4.174 2.499 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.526 0.006 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.559 0.782 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 33 1.897 2.409 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.484 1.859 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.467 0.431 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.038 0.644 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.548 3.666 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.035 2.523 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.254 3.559 -3.595 1.00 0.00 H new ATOM 531 N ARG A 34 5.319 -0.543 -3.857 1.00 0.00 N ATOM 532 CA ARG A 34 6.209 -1.308 -2.992 1.00 0.00 C ATOM 533 C ARG A 34 7.640 -0.785 -3.086 1.00 0.00 C ATOM 534 O ARG A 34 8.328 -0.649 -2.075 1.00 0.00 O ATOM 535 CB ARG A 34 6.171 -2.790 -3.369 1.00 0.00 C ATOM 536 CG ARG A 34 4.774 -3.388 -3.346 1.00 0.00 C ATOM 537 CD ARG A 34 4.792 -4.860 -3.727 1.00 0.00 C ATOM 538 NE ARG A 34 5.067 -5.720 -2.578 1.00 0.00 N ATOM 539 CZ ARG A 34 6.292 -6.033 -2.171 1.00 0.00 C ATOM 540 NH1 ARG A 34 7.350 -5.559 -2.816 1.00 0.00 N ATOM 541 NH2 ARG A 34 6.461 -6.821 -1.117 1.00 0.00 N ATOM 0 H ARG A 34 4.926 -1.075 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 34 5.865 -1.192 -1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.594 -2.914 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.807 -3.348 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.345 -3.274 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.131 -2.840 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.831 -5.133 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.549 -5.027 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 34 4.275 -6.101 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.224 -4.953 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.290 -5.801 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.650 -7.187 -0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.402 -7.061 -0.805 1.00 0.00 H new ATOM 555 N SER A 35 8.080 -0.494 -4.306 1.00 0.00 N ATOM 556 CA SER A 35 9.429 0.009 -4.532 1.00 0.00 C ATOM 557 C SER A 35 9.689 1.260 -3.698 1.00 0.00 C ATOM 558 O SER A 35 10.682 1.343 -2.975 1.00 0.00 O ATOM 559 CB SER A 35 9.639 0.319 -6.015 1.00 0.00 C ATOM 560 OG SER A 35 11.006 0.208 -6.371 1.00 0.00 O ATOM 0 H SER A 35 7.521 -0.598 -5.153 1.00 0.00 H new ATOM 0 HA SER A 35 10.134 -0.764 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.046 -0.366 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.284 1.326 -6.233 1.00 0.00 H new ATOM 0 HG SER A 35 11.113 0.409 -7.324 1.00 0.00 H new ATOM 566 N LYS A 36 8.789 2.232 -3.804 1.00 0.00 N ATOM 567 CA LYS A 36 8.918 3.479 -3.060 1.00 0.00 C ATOM 568 C LYS A 36 8.993 3.213 -1.560 1.00 0.00 C ATOM 569 O LYS A 36 9.978 3.557 -0.908 1.00 0.00 O ATOM 570 CB LYS A 36 7.737 4.403 -3.366 1.00 0.00 C ATOM 571 CG LYS A 36 7.593 4.738 -4.841 1.00 0.00 C ATOM 572 CD LYS A 36 8.723 5.632 -5.323 1.00 0.00 C ATOM 573 CE LYS A 36 8.373 7.104 -5.171 1.00 0.00 C ATOM 574 NZ LYS A 36 7.381 7.546 -6.190 1.00 0.00 N ATOM 0 H LYS A 36 7.962 2.180 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 36 9.843 3.965 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.818 3.932 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.855 5.328 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.582 3.817 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.638 5.234 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.629 5.412 -4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.939 5.415 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.972 7.281 -4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.279 7.704 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.357 8.585 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.653 7.176 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.439 7.186 -5.936 1.00 0.00 H new ATOM 588 N ALA A 37 7.947 2.596 -1.020 1.00 0.00 N ATOM 589 CA ALA A 37 7.897 2.281 0.402 1.00 0.00 C ATOM 590 C ALA A 37 9.180 1.593 0.857 1.00 0.00 C ATOM 591 O ALA A 37 9.639 1.794 1.981 1.00 0.00 O ATOM 592 CB ALA A 37 6.690 1.406 0.706 1.00 0.00 C ATOM 0 H ALA A 37 7.123 2.305 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 37 7.802 3.216 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.665 1.178 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.778 1.934 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.761 0.478 0.138 1.00 0.00 H new ATOM 598 N LYS A 38 9.754 0.779 -0.023 1.00 0.00 N ATOM 599 CA LYS A 38 10.984 0.061 0.288 1.00 0.00 C ATOM 600 C LYS A 38 12.177 1.012 0.315 1.00 0.00 C ATOM 601 O LYS A 38 13.109 0.831 1.099 1.00 0.00 O ATOM 602 CB LYS A 38 11.225 -1.047 -0.740 1.00 0.00 C ATOM 603 CG LYS A 38 12.348 -1.997 -0.358 1.00 0.00 C ATOM 604 CD LYS A 38 12.509 -3.109 -1.380 1.00 0.00 C ATOM 605 CE LYS A 38 13.947 -3.600 -1.448 1.00 0.00 C ATOM 606 NZ LYS A 38 14.176 -4.484 -2.624 1.00 0.00 N ATOM 0 H LYS A 38 9.387 0.600 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 38 10.875 -0.386 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.305 -1.618 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.456 -0.593 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.282 -1.442 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.143 -2.429 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.852 -3.939 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.199 -2.750 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.621 -2.745 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.189 -4.142 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.168 -4.798 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.551 -5.313 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.969 -3.960 -3.498 1.00 0.00 H new ATOM 620 N ILE A 39 12.140 2.025 -0.544 1.00 0.00 N ATOM 621 CA ILE A 39 13.216 3.005 -0.616 1.00 0.00 C ATOM 622 C ILE A 39 13.117 4.015 0.522 1.00 0.00 C ATOM 623 O ILE A 39 14.131 4.481 1.042 1.00 0.00 O ATOM 624 CB ILE A 39 13.203 3.759 -1.959 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.373 2.778 -3.121 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.299 4.814 -1.984 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.713 3.238 -4.401 1.00 0.00 C ATOM 0 H ILE A 39 11.376 2.188 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 39 14.152 2.453 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 39 12.241 4.260 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.437 2.626 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.957 1.812 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.277 5.339 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.137 5.526 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.269 4.334 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.874 2.494 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.643 3.363 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.145 4.189 -4.712 1.00 0.00 H new ATOM 639 N ALA A 40 11.889 4.347 0.906 1.00 0.00 N ATOM 640 CA ALA A 40 11.657 5.299 1.985 1.00 0.00 C ATOM 641 C ALA A 40 12.086 4.720 3.329 1.00 0.00 C ATOM 642 O ALA A 40 12.812 5.362 4.089 1.00 0.00 O ATOM 643 CB ALA A 40 10.190 5.702 2.027 1.00 0.00 C ATOM 0 H ALA A 40 11.039 3.971 0.486 1.00 0.00 H new ATOM 0 HA ALA A 40 12.261 6.185 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.031 6.413 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.912 6.164 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.574 4.818 2.194 1.00 0.00 H new ATOM 649 N PHE A 41 11.634 3.504 3.616 1.00 0.00 N ATOM 650 CA PHE A 41 11.970 2.840 4.870 1.00 0.00 C ATOM 651 C PHE A 41 13.274 2.059 4.739 1.00 0.00 C ATOM 652 O PHE A 41 14.065 1.988 5.678 1.00 0.00 O ATOM 653 CB PHE A 41 10.840 1.899 5.292 1.00 0.00 C ATOM 654 CG PHE A 41 9.557 2.610 5.616 1.00 0.00 C ATOM 655 CD1 PHE A 41 8.854 3.282 4.630 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.055 2.607 6.908 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.673 3.938 4.924 1.00 0.00 C ATOM 658 CE2 PHE A 41 7.874 3.260 7.208 1.00 0.00 C ATOM 659 CZ PHE A 41 7.184 3.928 6.215 1.00 0.00 C ATOM 0 H PHE A 41 11.034 2.958 2.997 1.00 0.00 H new ATOM 0 HA PHE A 41 12.100 3.606 5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.657 1.182 4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.160 1.328 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.233 3.294 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.592 2.089 7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.134 4.457 4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.491 3.248 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.263 4.442 6.448 1.00 0.00 H new ATOM 669 N GLY A 42 13.491 1.473 3.565 1.00 0.00 N ATOM 670 CA GLY A 42 14.700 0.705 3.331 1.00 0.00 C ATOM 671 C GLY A 42 14.537 -0.757 3.698 1.00 0.00 C ATOM 672 O GLY A 42 15.516 -1.440 3.997 1.00 0.00 O ATOM 0 H GLY A 42 12.851 1.517 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.980 0.784 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.517 1.133 3.911 1.00 0.00 H new ATOM 676 N GLN A 43 13.298 -1.237 3.677 1.00 0.00 N ATOM 677 CA GLN A 43 13.011 -2.626 4.012 1.00 0.00 C ATOM 678 C GLN A 43 11.765 -3.116 3.283 1.00 0.00 C ATOM 679 O GLN A 43 10.789 -2.380 3.137 1.00 0.00 O ATOM 680 CB GLN A 43 12.827 -2.781 5.523 1.00 0.00 C ATOM 681 CG GLN A 43 14.117 -3.093 6.265 1.00 0.00 C ATOM 682 CD GLN A 43 14.465 -4.568 6.234 1.00 0.00 C ATOM 683 OE1 GLN A 43 15.440 -4.974 5.601 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.668 -5.379 6.919 1.00 0.00 N ATOM 0 H GLN A 43 12.477 -0.684 3.431 1.00 0.00 H new ATOM 0 HA GLN A 43 13.858 -3.233 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.400 -1.862 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.107 -3.577 5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.933 -2.522 5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.024 -2.767 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.871 -4.999 7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.853 -6.382 6.935 1.00 0.00 H new ATOM 693 N SER A 44 11.804 -4.364 2.826 1.00 0.00 N ATOM 694 CA SER A 44 10.679 -4.951 2.108 1.00 0.00 C ATOM 695 C SER A 44 9.501 -5.191 3.048 1.00 0.00 C ATOM 696 O SER A 44 9.609 -5.938 4.019 1.00 0.00 O ATOM 697 CB SER A 44 11.098 -6.268 1.451 1.00 0.00 C ATOM 698 OG SER A 44 10.259 -6.578 0.352 1.00 0.00 O ATOM 0 H SER A 44 12.603 -4.988 2.940 1.00 0.00 H new ATOM 0 HA SER A 44 10.367 -4.250 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.132 -6.197 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.055 -7.074 2.184 1.00 0.00 H new ATOM 0 HG SER A 44 10.548 -7.423 -0.052 1.00 0.00 H new ATOM 704 N MET A 45 8.375 -4.550 2.749 1.00 0.00 N ATOM 705 CA MET A 45 7.175 -4.694 3.566 1.00 0.00 C ATOM 706 C MET A 45 5.928 -4.763 2.691 1.00 0.00 C ATOM 707 O MET A 45 5.910 -4.242 1.576 1.00 0.00 O ATOM 708 CB MET A 45 7.059 -3.527 4.549 1.00 0.00 C ATOM 709 CG MET A 45 7.340 -2.172 3.920 1.00 0.00 C ATOM 710 SD MET A 45 7.847 -0.936 5.131 1.00 0.00 S ATOM 711 CE MET A 45 9.139 -1.823 5.999 1.00 0.00 C ATOM 0 H MET A 45 8.269 -3.927 1.948 1.00 0.00 H new ATOM 0 HA MET A 45 7.256 -5.625 4.127 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.056 -3.520 4.975 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.754 -3.687 5.373 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.121 -2.280 3.168 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.446 -1.823 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.957 -1.141 6.230 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.738 -2.235 6.925 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.509 -2.633 5.371 1.00 0.00 H new ATOM 721 N ASP A 46 4.887 -5.410 3.203 1.00 0.00 N ATOM 722 CA ASP A 46 3.634 -5.547 2.469 1.00 0.00 C ATOM 723 C ASP A 46 2.857 -4.234 2.470 1.00 0.00 C ATOM 724 O ASP A 46 3.134 -3.337 3.267 1.00 0.00 O ATOM 725 CB ASP A 46 2.780 -6.660 3.078 1.00 0.00 C ATOM 726 CG ASP A 46 3.058 -8.012 2.452 1.00 0.00 C ATOM 727 OD1 ASP A 46 2.706 -8.201 1.269 1.00 0.00 O ATOM 728 OD2 ASP A 46 3.627 -8.882 3.145 1.00 0.00 O ATOM 0 H ASP A 46 4.886 -5.848 4.124 1.00 0.00 H new ATOM 0 HA ASP A 46 3.873 -5.806 1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.969 -6.714 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.725 -6.415 2.952 1.00 0.00 H new ATOM 733 N LEU A 47 1.886 -4.127 1.570 1.00 0.00 N ATOM 734 CA LEU A 47 1.069 -2.923 1.466 1.00 0.00 C ATOM 735 C LEU A 47 -0.410 -3.250 1.649 1.00 0.00 C ATOM 736 O LEU A 47 -1.067 -3.737 0.728 1.00 0.00 O ATOM 737 CB LEU A 47 1.290 -2.249 0.111 1.00 0.00 C ATOM 738 CG LEU A 47 2.421 -1.222 0.049 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.772 -1.908 0.179 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.348 -0.425 -1.246 1.00 0.00 C ATOM 0 H LEU A 47 1.645 -4.859 0.902 1.00 0.00 H new ATOM 0 HA LEU A 47 1.371 -2.239 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.489 -3.024 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.363 -1.757 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 47 2.305 -0.531 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.565 -1.162 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.823 -2.433 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.898 -2.622 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.161 0.301 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.438 -1.102 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.393 0.097 -1.298 1.00 0.00 H new ATOM 752 N HIS A 48 -0.928 -2.978 2.842 1.00 0.00 N ATOM 753 CA HIS A 48 -2.330 -3.241 3.145 1.00 0.00 C ATOM 754 C HIS A 48 -3.120 -1.938 3.233 1.00 0.00 C ATOM 755 O HIS A 48 -2.938 -1.152 4.164 1.00 0.00 O ATOM 756 CB HIS A 48 -2.454 -4.016 4.457 1.00 0.00 C ATOM 757 CG HIS A 48 -1.936 -5.419 4.375 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.828 -5.770 3.632 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.379 -6.562 4.948 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.613 -7.068 3.752 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.541 -7.572 4.546 1.00 0.00 N ATOM 0 H HIS A 48 -0.398 -2.575 3.615 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.744 -3.843 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.912 -3.482 5.237 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.502 -4.041 4.757 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.234 -6.661 5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.185 -7.623 3.281 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.622 -8.552 4.816 1.00 0.00 H new ATOM 770 N TYR A 49 -3.997 -1.717 2.260 1.00 0.00 N ATOM 771 CA TYR A 49 -4.812 -0.508 2.227 1.00 0.00 C ATOM 772 C TYR A 49 -6.242 -0.803 2.671 1.00 0.00 C ATOM 773 O TYR A 49 -6.807 -1.845 2.336 1.00 0.00 O ATOM 774 CB TYR A 49 -4.817 0.090 0.819 1.00 0.00 C ATOM 775 CG TYR A 49 -5.976 -0.375 -0.033 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.933 -1.598 -0.691 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.114 0.408 -0.180 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.990 -2.027 -1.471 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.176 -0.014 -0.957 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.109 -1.232 -1.600 1.00 0.00 C ATOM 781 OH TYR A 49 -9.164 -1.655 -2.376 1.00 0.00 O ATOM 0 H TYR A 49 -4.162 -2.358 1.484 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.377 0.212 2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.846 1.177 0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.883 -0.169 0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.059 -2.224 -0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.170 1.363 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.940 -2.980 -1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.054 0.607 -1.060 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.998 -1.572 -1.868 1.00 0.00 H new ATOM 791 N THR A 50 -6.822 0.123 3.428 1.00 0.00 N ATOM 792 CA THR A 50 -8.185 -0.036 3.919 1.00 0.00 C ATOM 793 C THR A 50 -9.143 0.906 3.199 1.00 0.00 C ATOM 794 O THR A 50 -8.788 2.039 2.877 1.00 0.00 O ATOM 795 CB THR A 50 -8.269 0.225 5.435 1.00 0.00 C ATOM 796 OG1 THR A 50 -8.024 1.609 5.708 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.263 -0.632 6.189 1.00 0.00 C ATOM 0 H THR A 50 -6.369 0.991 3.714 1.00 0.00 H new ATOM 0 HA THR A 50 -8.475 -1.067 3.718 1.00 0.00 H new ATOM 0 HB THR A 50 -9.271 -0.039 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.081 1.767 6.673 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.341 -0.430 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.471 -1.686 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.255 -0.395 5.848 1.00 0.00 H new ATOM 805 N ASN A 51 -10.358 0.429 2.949 1.00 0.00 N ATOM 806 CA ASN A 51 -11.367 1.230 2.266 1.00 0.00 C ATOM 807 C ASN A 51 -12.266 1.945 3.271 1.00 0.00 C ATOM 808 O ASN A 51 -12.261 3.172 3.361 1.00 0.00 O ATOM 809 CB ASN A 51 -12.213 0.347 1.346 1.00 0.00 C ATOM 810 CG ASN A 51 -13.523 1.005 0.957 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.723 2.198 1.185 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.422 0.227 0.365 1.00 0.00 N ATOM 0 H ASN A 51 -10.667 -0.508 3.209 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.853 1.981 1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.644 0.116 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.419 -0.600 1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.322 0.613 0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.213 -0.757 0.196 1.00 0.00 H new ATOM 819 N ASN A 52 -13.037 1.167 4.025 1.00 0.00 N ATOM 820 CA ASN A 52 -13.941 1.725 5.023 1.00 0.00 C ATOM 821 C ASN A 52 -13.712 1.079 6.386 1.00 0.00 C ATOM 822 O ASN A 52 -13.225 1.723 7.315 1.00 0.00 O ATOM 823 CB ASN A 52 -15.396 1.528 4.591 1.00 0.00 C ATOM 824 CG ASN A 52 -16.320 2.580 5.174 1.00 0.00 C ATOM 825 OD1 ASN A 52 -16.282 2.860 6.372 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.155 3.169 4.326 1.00 0.00 N ATOM 0 H ASN A 52 -13.053 0.149 3.963 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.735 2.792 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.456 1.558 3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.734 0.539 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.800 3.885 4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.152 2.905 3.341 1.00 0.00 H new ATOM 833 N GLU A 53 -14.067 -0.197 6.497 1.00 0.00 N ATOM 834 CA GLU A 53 -13.900 -0.930 7.747 1.00 0.00 C ATOM 835 C GLU A 53 -13.256 -2.291 7.498 1.00 0.00 C ATOM 836 O GLU A 53 -13.430 -3.225 8.281 1.00 0.00 O ATOM 837 CB GLU A 53 -15.251 -1.112 8.442 1.00 0.00 C ATOM 838 CG GLU A 53 -15.995 0.191 8.676 1.00 0.00 C ATOM 839 CD GLU A 53 -16.926 0.125 9.871 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.455 -0.228 10.972 1.00 0.00 O ATOM 841 OE2 GLU A 53 -18.127 0.426 9.704 1.00 0.00 O ATOM 0 H GLU A 53 -14.472 -0.744 5.737 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.242 -0.349 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.874 -1.773 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.093 -1.608 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.274 0.995 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.571 0.441 7.785 1.00 0.00 H new ATOM 848 N LEU A 54 -12.511 -2.395 6.402 1.00 0.00 N ATOM 849 CA LEU A 54 -11.841 -3.641 6.048 1.00 0.00 C ATOM 850 C LEU A 54 -10.401 -3.381 5.618 1.00 0.00 C ATOM 851 O LEU A 54 -9.982 -2.233 5.475 1.00 0.00 O ATOM 852 CB LEU A 54 -12.601 -4.351 4.926 1.00 0.00 C ATOM 853 CG LEU A 54 -14.048 -4.737 5.235 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.710 -5.347 4.009 1.00 0.00 C ATOM 855 CD2 LEU A 54 -14.103 -5.702 6.410 1.00 0.00 C ATOM 0 H LEU A 54 -12.356 -1.631 5.744 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.827 -4.281 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.598 -3.706 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.054 -5.255 4.659 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.595 -3.835 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.739 -5.616 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.703 -4.623 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.163 -6.240 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.140 -5.966 6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.541 -6.604 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.668 -5.229 7.290 1.00 0.00 H new ATOM 867 N VAL A 55 -9.648 -4.457 5.411 1.00 0.00 N ATOM 868 CA VAL A 55 -8.255 -4.346 4.993 1.00 0.00 C ATOM 869 C VAL A 55 -7.972 -5.229 3.783 1.00 0.00 C ATOM 870 O VAL A 55 -8.155 -6.446 3.834 1.00 0.00 O ATOM 871 CB VAL A 55 -7.295 -4.733 6.134 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.851 -4.494 5.720 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.631 -3.958 7.399 1.00 0.00 C ATOM 0 H VAL A 55 -9.979 -5.415 5.526 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.087 -3.303 4.724 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.417 -5.796 6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.187 -4.773 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.619 -5.098 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.710 -3.440 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.943 -4.244 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.539 -2.889 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.653 -4.185 7.704 1.00 0.00 H new ATOM 883 N ILE A 56 -7.525 -4.609 2.697 1.00 0.00 N ATOM 884 CA ILE A 56 -7.215 -5.340 1.474 1.00 0.00 C ATOM 885 C ILE A 56 -5.712 -5.362 1.213 1.00 0.00 C ATOM 886 O ILE A 56 -5.112 -4.366 0.811 1.00 0.00 O ATOM 887 CB ILE A 56 -7.927 -4.724 0.255 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.391 -4.431 0.587 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.826 -5.656 -0.943 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.608 -3.072 1.215 1.00 0.00 C ATOM 0 H ILE A 56 -7.369 -3.603 2.638 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.572 -6.360 1.616 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.436 -3.784 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.983 -4.499 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.762 -5.199 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.334 -5.207 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.777 -5.819 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.295 -6.610 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.669 -2.933 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.044 -3.007 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.268 -2.296 0.529 1.00 0.00 H new ATOM 902 N PRO A 57 -5.089 -6.527 1.446 1.00 0.00 N ATOM 903 CA PRO A 57 -3.649 -6.709 1.240 1.00 0.00 C ATOM 904 C PRO A 57 -3.267 -6.687 -0.236 1.00 0.00 C ATOM 905 O PRO A 57 -3.387 -7.694 -0.935 1.00 0.00 O ATOM 906 CB PRO A 57 -3.377 -8.090 1.842 1.00 0.00 C ATOM 907 CG PRO A 57 -4.680 -8.806 1.752 1.00 0.00 C ATOM 908 CD PRO A 57 -5.742 -7.756 1.926 1.00 0.00 C ATOM 0 HA PRO A 57 -3.067 -5.908 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.598 -8.616 1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.039 -8.012 2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.783 -9.310 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.758 -9.572 2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.636 -7.989 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.051 -7.666 2.967 1.00 0.00 H new ATOM 916 N LEU A 58 -2.805 -5.533 -0.705 1.00 0.00 N ATOM 917 CA LEU A 58 -2.404 -5.379 -2.099 1.00 0.00 C ATOM 918 C LEU A 58 -1.329 -6.396 -2.472 1.00 0.00 C ATOM 919 O LEU A 58 -0.164 -6.250 -2.100 1.00 0.00 O ATOM 920 CB LEU A 58 -1.888 -3.961 -2.348 1.00 0.00 C ATOM 921 CG LEU A 58 -2.952 -2.867 -2.449 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.403 -1.540 -1.948 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.448 -2.735 -3.881 1.00 0.00 C ATOM 0 H LEU A 58 -2.699 -4.690 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.279 -5.556 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.202 -3.699 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.309 -3.963 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.796 -3.149 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.174 -0.774 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.099 -1.642 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.542 -1.252 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.204 -1.952 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.613 -2.477 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.882 -3.681 -4.204 1.00 0.00 H new ATOM 935 N THR A 59 -1.728 -7.426 -3.211 1.00 0.00 N ATOM 936 CA THR A 59 -0.800 -8.467 -3.635 1.00 0.00 C ATOM 937 C THR A 59 -0.703 -8.530 -5.155 1.00 0.00 C ATOM 938 O THR A 59 0.361 -8.813 -5.709 1.00 0.00 O ATOM 939 CB THR A 59 -1.223 -9.849 -3.102 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.617 -10.064 -3.350 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.945 -9.961 -1.610 1.00 0.00 C ATOM 0 H THR A 59 -2.688 -7.562 -3.528 1.00 0.00 H new ATOM 0 HA THR A 59 0.175 -8.209 -3.221 1.00 0.00 H new ATOM 0 HB THR A 59 -0.640 -10.609 -3.623 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.878 -10.945 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.252 -10.945 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.121 -9.825 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.505 -9.193 -1.077 1.00 0.00 H new ATOM 949 N THR A 60 -1.819 -8.264 -5.827 1.00 0.00 N ATOM 950 CA THR A 60 -1.859 -8.291 -7.283 1.00 0.00 C ATOM 951 C THR A 60 -2.332 -6.955 -7.845 1.00 0.00 C ATOM 952 O THR A 60 -2.994 -6.181 -7.155 1.00 0.00 O ATOM 953 CB THR A 60 -2.784 -9.408 -7.799 1.00 0.00 C ATOM 954 OG1 THR A 60 -4.127 -9.175 -7.359 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.314 -10.770 -7.310 1.00 0.00 C ATOM 0 H THR A 60 -2.707 -8.027 -5.385 1.00 0.00 H new ATOM 0 HA THR A 60 -0.842 -8.486 -7.623 1.00 0.00 H new ATOM 0 HB THR A 60 -2.753 -9.400 -8.889 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.113 -8.683 -6.512 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.983 -11.543 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.303 -10.957 -7.671 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.319 -10.787 -6.220 1.00 0.00 H new ATOM 963 N GLN A 61 -1.987 -6.691 -9.101 1.00 0.00 N ATOM 964 CA GLN A 61 -2.377 -5.447 -9.755 1.00 0.00 C ATOM 965 C GLN A 61 -3.890 -5.260 -9.709 1.00 0.00 C ATOM 966 O GLN A 61 -4.382 -4.192 -9.342 1.00 0.00 O ATOM 967 CB GLN A 61 -1.894 -5.436 -11.206 1.00 0.00 C ATOM 968 CG GLN A 61 -2.077 -4.095 -11.898 1.00 0.00 C ATOM 969 CD GLN A 61 -0.897 -3.166 -11.693 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.181 -1.913 -11.357 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 0.258 -3.570 -11.834 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.439 -7.321 -9.686 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.910 -4.621 -9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.839 -5.707 -11.231 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.433 -6.201 -11.765 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.224 -4.259 -12.966 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.981 -3.616 -11.521 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.430 -4.541 -12.093 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.042 -2.933 -11.692 1.00 0.00 H new ATOM 980 N ASP A 62 -4.622 -6.303 -10.084 1.00 0.00 N ATOM 981 CA ASP A 62 -6.079 -6.253 -10.085 1.00 0.00 C ATOM 982 C ASP A 62 -6.598 -5.492 -8.869 1.00 0.00 C ATOM 983 O ASP A 62 -7.518 -4.682 -8.977 1.00 0.00 O ATOM 984 CB ASP A 62 -6.659 -7.669 -10.101 1.00 0.00 C ATOM 985 CG ASP A 62 -6.433 -8.371 -11.425 1.00 0.00 C ATOM 986 OD1 ASP A 62 -5.320 -8.898 -11.636 1.00 0.00 O ATOM 987 OD2 ASP A 62 -7.370 -8.395 -12.251 1.00 0.00 O ATOM 0 H ASP A 62 -4.230 -7.193 -10.391 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.399 -5.727 -10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.205 -8.254 -9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.728 -7.623 -9.895 1.00 0.00 H new ATOM 992 N ASP A 63 -6.002 -5.759 -7.712 1.00 0.00 N ATOM 993 CA ASP A 63 -6.404 -5.100 -6.475 1.00 0.00 C ATOM 994 C ASP A 63 -6.129 -3.601 -6.544 1.00 0.00 C ATOM 995 O ASP A 63 -7.013 -2.784 -6.286 1.00 0.00 O ATOM 996 CB ASP A 63 -5.666 -5.712 -5.283 1.00 0.00 C ATOM 997 CG ASP A 63 -6.015 -7.172 -5.074 1.00 0.00 C ATOM 998 OD1 ASP A 63 -7.219 -7.502 -5.081 1.00 0.00 O ATOM 999 OD2 ASP A 63 -5.083 -7.986 -4.904 1.00 0.00 O ATOM 0 H ASP A 63 -5.239 -6.427 -7.605 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.476 -5.249 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.591 -5.617 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.910 -5.150 -4.381 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.897 -3.246 -6.893 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.504 -1.845 -6.995 1.00 0.00 C ATOM 1006 C LEU A 64 -5.442 -1.083 -7.926 1.00 0.00 C ATOM 1007 O LEU A 64 -6.026 -0.070 -7.542 1.00 0.00 O ATOM 1008 CB LEU A 64 -3.064 -1.734 -7.500 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.627 -0.350 -7.982 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.697 0.657 -6.845 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.220 -0.407 -8.560 1.00 0.00 C ATOM 0 H LEU A 64 -4.153 -3.909 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.569 -1.402 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.394 -2.046 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.932 -2.441 -8.319 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.309 -0.028 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.383 1.636 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.721 0.718 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.038 0.340 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.925 0.586 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.525 -0.751 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.201 -1.098 -9.403 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.582 -1.579 -9.151 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.452 -0.947 -10.136 1.00 0.00 C ATOM 1025 C ASP A 65 -7.850 -0.728 -9.566 1.00 0.00 C ATOM 1026 O ASP A 65 -8.481 0.299 -9.819 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.532 -1.803 -11.401 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.752 -0.972 -12.650 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.529 0.003 -12.585 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -6.145 -1.297 -13.692 1.00 0.00 O ATOM 0 H ASP A 65 -5.104 -2.416 -9.485 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.027 0.024 -10.390 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.611 -2.376 -11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.345 -2.522 -11.299 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.328 -1.699 -8.797 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.651 -1.614 -8.190 1.00 0.00 C ATOM 1037 C LYS A 66 -9.618 -0.753 -6.932 1.00 0.00 C ATOM 1038 O LYS A 66 -10.644 -0.226 -6.501 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.170 -3.013 -7.850 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.957 -3.660 -8.977 1.00 0.00 C ATOM 1041 CD LYS A 66 -12.010 -4.617 -8.444 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.725 -5.344 -9.573 1.00 0.00 C ATOM 1043 NZ LYS A 66 -11.851 -6.365 -10.216 1.00 0.00 N ATOM 0 H LYS A 66 -7.819 -2.555 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.324 -1.149 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.325 -3.653 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.803 -2.951 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.437 -2.887 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.275 -4.198 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.540 -5.344 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.736 -4.065 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.622 -5.826 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.051 -4.622 -10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.412 -6.930 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.079 -5.890 -10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.451 -6.989 -9.486 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.433 -0.613 -6.347 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.266 0.187 -5.140 1.00 0.00 C ATOM 1059 C ALA A 67 -8.100 1.664 -5.479 1.00 0.00 C ATOM 1060 O ALA A 67 -8.458 2.537 -4.689 1.00 0.00 O ATOM 1061 CB ALA A 67 -7.073 -0.310 -4.338 1.00 0.00 C ATOM 0 H ALA A 67 -7.574 -1.043 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.166 0.079 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.960 0.297 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.233 -1.351 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.170 -0.233 -4.943 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.553 1.937 -6.659 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.339 3.310 -7.103 1.00 0.00 C ATOM 1069 C VAL A 68 -8.623 3.914 -7.659 1.00 0.00 C ATOM 1070 O VAL A 68 -8.901 5.096 -7.460 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.240 3.386 -8.180 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -6.069 4.817 -8.668 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.928 2.837 -7.642 1.00 0.00 C ATOM 0 H VAL A 68 -7.250 1.226 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.022 3.880 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.543 2.772 -9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.289 4.851 -9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.008 5.170 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.788 5.456 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.163 2.898 -8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.616 3.422 -6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.063 1.796 -7.347 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.403 3.094 -8.357 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.659 3.549 -8.942 1.00 0.00 C ATOM 1085 C GLU A 69 -11.697 3.821 -7.857 1.00 0.00 C ATOM 1086 O GLU A 69 -12.473 4.773 -7.950 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.195 2.507 -9.927 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.757 1.266 -9.254 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.424 0.322 -10.236 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.550 0.626 -10.682 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -11.818 -0.722 -10.558 1.00 0.00 O ATOM 0 H GLU A 69 -9.187 2.112 -8.531 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.466 4.479 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.974 2.963 -10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.393 2.212 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.953 0.740 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.480 1.565 -8.495 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.706 2.978 -6.831 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.649 3.127 -5.727 1.00 0.00 C ATOM 1100 C LEU A 70 -12.342 4.379 -4.913 1.00 0.00 C ATOM 1101 O LEU A 70 -13.248 5.031 -4.390 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.605 1.894 -4.823 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.604 1.944 -3.668 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.185 2.715 -2.492 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.209 0.537 -3.243 1.00 0.00 C ATOM 0 H LEU A 70 -11.072 2.184 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.650 3.226 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.601 1.737 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.375 1.025 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.709 2.463 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.459 2.740 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.417 3.733 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.096 2.224 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.496 0.592 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.096 -0.008 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.752 0.017 -4.085 1.00 0.00 H new ATOM 1117 N LEU A 71 -11.060 4.713 -4.811 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.633 5.890 -4.063 1.00 0.00 C ATOM 1119 C LEU A 71 -11.231 7.161 -4.658 1.00 0.00 C ATOM 1120 O LEU A 71 -11.854 7.955 -3.953 1.00 0.00 O ATOM 1121 CB LEU A 71 -9.106 5.987 -4.054 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.524 7.395 -3.931 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.848 7.989 -2.569 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -7.020 7.373 -4.160 1.00 0.00 C ATOM 0 H LEU A 71 -10.298 4.185 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.991 5.788 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.729 5.386 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.728 5.538 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.979 8.023 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.426 8.991 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.929 8.041 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.421 7.361 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.623 8.384 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.548 6.729 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.810 6.990 -5.158 1.00 0.00 H new ATOM 1136 N ASP A 72 -11.041 7.345 -5.959 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.564 8.517 -6.651 1.00 0.00 C ATOM 1138 C ASP A 72 -13.052 8.696 -6.367 1.00 0.00 C ATOM 1139 O ASP A 72 -13.469 9.703 -5.795 1.00 0.00 O ATOM 1140 CB ASP A 72 -11.331 8.394 -8.157 1.00 0.00 C ATOM 1141 CG ASP A 72 -11.344 9.739 -8.857 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -10.577 10.633 -8.440 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -12.119 9.898 -9.822 1.00 0.00 O ATOM 0 H ASP A 72 -10.528 6.697 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.033 9.394 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.373 7.905 -8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.101 7.755 -8.590 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.849 7.712 -6.772 1.00 0.00 N ATOM 1149 CA ARG A 73 -15.291 7.761 -6.563 1.00 0.00 C ATOM 1150 C ARG A 73 -15.619 8.100 -5.112 1.00 0.00 C ATOM 1151 O ARG A 73 -16.550 8.857 -4.836 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.929 6.423 -6.942 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.506 5.271 -6.045 1.00 0.00 C ATOM 1154 CD ARG A 73 -16.349 4.031 -6.296 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.650 4.110 -5.638 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.388 3.047 -5.338 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.955 1.830 -5.635 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.562 3.201 -4.739 1.00 0.00 N ATOM 0 H ARG A 73 -13.520 6.871 -7.247 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.699 8.544 -7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -17.014 6.523 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.668 6.185 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.455 5.039 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.597 5.569 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.493 3.902 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.815 3.151 -5.938 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.012 5.032 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.053 1.708 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.524 1.016 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.898 4.136 -4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.128 2.384 -4.509 1.00 0.00 H new ATOM 1172 N SER A 74 -14.849 7.535 -4.188 1.00 0.00 N ATOM 1173 CA SER A 74 -15.060 7.774 -2.766 1.00 0.00 C ATOM 1174 C SER A 74 -14.860 9.248 -2.427 1.00 0.00 C ATOM 1175 O SER A 74 -13.919 9.883 -2.902 1.00 0.00 O ATOM 1176 CB SER A 74 -14.105 6.914 -1.935 1.00 0.00 C ATOM 1177 OG SER A 74 -14.682 5.655 -1.636 1.00 0.00 O ATOM 0 H SER A 74 -14.073 6.908 -4.399 1.00 0.00 H new ATOM 0 HA SER A 74 -16.087 7.500 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.172 6.770 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.856 7.433 -1.009 1.00 0.00 H new ATOM 0 HG SER A 74 -14.451 5.014 -2.340 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.753 9.785 -1.602 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.675 11.183 -1.198 1.00 0.00 C ATOM 1185 C ILE A 75 -14.998 11.326 0.161 1.00 0.00 C ATOM 1186 O ILE A 75 -14.095 12.145 0.333 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.072 11.829 -1.134 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.761 11.742 -2.497 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.965 13.277 -0.681 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.272 11.758 -2.413 1.00 0.00 C ATOM 0 H ILE A 75 -16.539 9.273 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.080 11.697 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.675 11.284 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.431 12.576 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.443 10.828 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.960 13.720 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.510 13.316 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.348 13.834 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -19.693 11.693 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.613 10.908 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.600 12.684 -1.941 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.440 10.523 1.123 1.00 0.00 N ATOM 1203 CA HIS A 76 -14.876 10.558 2.467 1.00 0.00 C ATOM 1204 C HIS A 76 -13.384 10.239 2.439 1.00 0.00 C ATOM 1205 O HIS A 76 -12.585 10.899 3.102 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.604 9.567 3.376 1.00 0.00 C ATOM 1207 CG HIS A 76 -15.851 8.236 2.733 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -16.847 7.820 1.916 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.019 7.151 2.905 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.600 6.504 1.612 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.491 6.124 2.221 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.187 9.840 0.997 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.007 11.565 2.862 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.018 9.420 4.283 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.558 9.998 3.679 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.121 7.142 3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.213 5.881 0.978 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.071 5.196 2.172 1.00 0.00 H new ATOM 1220 N MET A 77 -13.016 9.222 1.666 1.00 0.00 N ATOM 1221 CA MET A 77 -11.620 8.815 1.551 1.00 0.00 C ATOM 1222 C MET A 77 -10.824 9.832 0.739 1.00 0.00 C ATOM 1223 O MET A 77 -10.927 9.881 -0.487 1.00 0.00 O ATOM 1224 CB MET A 77 -11.521 7.435 0.900 1.00 0.00 C ATOM 1225 CG MET A 77 -10.315 6.632 1.359 1.00 0.00 C ATOM 1226 SD MET A 77 -10.369 4.917 0.803 1.00 0.00 S ATOM 1227 CE MET A 77 -9.219 4.971 -0.570 1.00 0.00 C ATOM 0 H MET A 77 -13.665 8.665 1.110 1.00 0.00 H new ATOM 0 HA MET A 77 -11.197 8.766 2.554 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.428 6.872 1.121 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.477 7.555 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.406 7.103 0.984 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.261 6.655 2.447 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.021 3.957 -0.918 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.650 5.556 -1.382 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.286 5.432 -0.245 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.029 10.642 1.430 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.213 11.657 0.774 1.00 0.00 C ATOM 1239 C LYS A 78 -8.089 11.014 -0.033 1.00 0.00 C ATOM 1240 O LYS A 78 -7.890 11.337 -1.204 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.627 12.618 1.810 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.518 13.812 2.105 1.00 0.00 C ATOM 1243 CD LYS A 78 -9.586 14.762 0.922 1.00 0.00 C ATOM 1244 CE LYS A 78 -8.466 15.791 0.967 1.00 0.00 C ATOM 1245 NZ LYS A 78 -7.225 15.287 0.317 1.00 0.00 N ATOM 0 H LYS A 78 -9.932 10.615 2.445 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.853 12.216 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.445 12.073 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.660 12.976 1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.521 13.466 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.139 14.343 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.522 14.194 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.550 15.272 0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.792 16.704 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.253 16.051 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.849 16.014 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.516 15.068 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.442 14.426 -0.225 1.00 0.00 H new ATOM 1259 N SER A 79 -7.359 10.103 0.601 1.00 0.00 N ATOM 1260 CA SER A 79 -6.253 9.417 -0.057 1.00 0.00 C ATOM 1261 C SER A 79 -6.328 7.912 0.183 1.00 0.00 C ATOM 1262 O SER A 79 -7.223 7.425 0.876 1.00 0.00 O ATOM 1263 CB SER A 79 -4.915 9.959 0.449 1.00 0.00 C ATOM 1264 OG SER A 79 -4.785 9.772 1.847 1.00 0.00 O ATOM 0 H SER A 79 -7.513 9.822 1.569 1.00 0.00 H new ATOM 0 HA SER A 79 -6.330 9.601 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.097 9.455 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.836 11.020 0.212 1.00 0.00 H new ATOM 0 HG SER A 79 -3.921 10.125 2.145 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.382 7.179 -0.395 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.339 5.729 -0.245 1.00 0.00 C ATOM 1272 C LEU A 80 -4.472 5.330 0.945 1.00 0.00 C ATOM 1273 O LEU A 80 -3.250 5.239 0.834 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.803 5.080 -1.522 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.875 3.554 -1.581 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.301 3.097 -1.848 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.932 3.016 -2.647 1.00 0.00 C ATOM 0 H LEU A 80 -4.635 7.565 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.355 5.377 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.357 5.483 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.763 5.380 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.563 3.157 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.333 2.008 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.952 3.451 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.641 3.504 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.997 1.928 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.213 3.421 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.910 3.313 -2.412 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.114 5.091 2.084 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.403 4.698 3.295 1.00 0.00 C ATOM 1291 C LYS A 81 -3.716 3.348 3.109 1.00 0.00 C ATOM 1292 O LYS A 81 -4.335 2.383 2.662 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.369 4.630 4.479 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.704 4.234 5.786 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.546 4.636 6.985 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.058 3.964 8.259 1.00 0.00 C ATOM 1297 NZ LYS A 81 -5.919 4.298 9.427 1.00 0.00 N ATOM 0 H LYS A 81 -6.126 5.163 2.194 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.640 5.450 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.846 5.602 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.159 3.914 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.541 3.156 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.724 4.706 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.513 5.719 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.587 4.367 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.042 2.883 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.033 4.273 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.553 3.821 10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.914 5.327 9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.892 3.980 9.243 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.435 3.289 3.456 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.665 2.057 3.329 1.00 0.00 C ATOM 1313 C ILE A 82 -1.025 1.670 4.657 1.00 0.00 C ATOM 1314 O ILE A 82 -0.561 2.528 5.410 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.565 2.189 2.260 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.160 2.687 0.942 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.140 0.855 2.058 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.121 1.709 0.304 1.00 0.00 C ATOM 0 H ILE A 82 -1.908 4.080 3.827 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.364 1.278 3.025 1.00 0.00 H new ATOM 0 HB ILE A 82 0.169 2.918 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.678 3.629 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.350 2.896 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.915 0.964 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.594 0.537 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.583 0.107 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.503 2.129 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.602 0.774 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.951 1.518 0.984 1.00 0.00 H new ATOM 1330 N LEU A 83 -1.001 0.372 4.940 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.415 -0.131 6.178 1.00 0.00 C ATOM 1332 C LEU A 83 0.743 -1.080 5.886 1.00 0.00 C ATOM 1333 O LEU A 83 0.535 -2.216 5.456 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.477 -0.845 7.015 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.529 0.051 7.671 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.904 0.883 8.780 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.186 0.949 6.633 1.00 0.00 C ATOM 0 H LEU A 83 -1.380 -0.351 4.329 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.030 0.719 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.989 -1.566 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.973 -1.413 7.797 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.298 -0.585 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.667 1.514 9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.481 0.222 9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.115 1.510 8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.932 1.580 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.429 1.577 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.669 0.334 5.873 1.00 0.00 H new ATOM 1349 N LEU A 84 1.962 -0.610 6.123 1.00 0.00 N ATOM 1350 CA LEU A 84 3.153 -1.418 5.888 1.00 0.00 C ATOM 1351 C LEU A 84 3.316 -2.476 6.974 1.00 0.00 C ATOM 1352 O LEU A 84 3.280 -2.169 8.166 1.00 0.00 O ATOM 1353 CB LEU A 84 4.396 -0.527 5.837 1.00 0.00 C ATOM 1354 CG LEU A 84 4.410 0.544 4.746 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.613 1.459 4.912 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.412 -0.099 3.367 1.00 0.00 C ATOM 0 H LEU A 84 2.152 0.327 6.478 1.00 0.00 H new ATOM 0 HA LEU A 84 3.036 -1.923 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.505 -0.034 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.270 -1.164 5.704 1.00 0.00 H new ATOM 0 HG LEU A 84 3.506 1.146 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.606 2.215 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.567 1.947 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.529 0.872 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.422 0.678 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.297 -0.725 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.518 -0.711 3.250 1.00 0.00 H new ATOM 1368 N VAL A 85 3.499 -3.724 6.554 1.00 0.00 N ATOM 1369 CA VAL A 85 3.671 -4.828 7.491 1.00 0.00 C ATOM 1370 C VAL A 85 4.916 -5.643 7.157 1.00 0.00 C ATOM 1371 O VAL A 85 5.027 -6.206 6.068 1.00 0.00 O ATOM 1372 CB VAL A 85 2.445 -5.761 7.491 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.657 -6.922 8.451 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.186 -4.985 7.849 1.00 0.00 C ATOM 0 H VAL A 85 3.532 -3.996 5.571 1.00 0.00 H new ATOM 0 HA VAL A 85 3.783 -4.388 8.482 1.00 0.00 H new ATOM 0 HB VAL A 85 2.320 -6.169 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.781 -7.570 8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.534 -7.492 8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.808 -6.537 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.329 -5.659 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.298 -4.547 8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.027 -4.192 7.118 1.00 0.00 H new ATOM 1384 N ILE A 86 5.849 -5.702 8.101 1.00 0.00 N ATOM 1385 CA ILE A 86 7.085 -6.449 7.908 1.00 0.00 C ATOM 1386 C ILE A 86 6.800 -7.869 7.431 1.00 0.00 C ATOM 1387 O ILE A 86 5.959 -8.568 7.997 1.00 0.00 O ATOM 1388 CB ILE A 86 7.914 -6.511 9.204 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.175 -5.101 9.736 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.226 -7.242 8.959 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.039 -4.260 8.822 1.00 0.00 C ATOM 0 H ILE A 86 5.772 -5.241 9.008 1.00 0.00 H new ATOM 0 HA ILE A 86 7.657 -5.920 7.146 1.00 0.00 H new ATOM 0 HB ILE A 86 7.348 -7.063 9.954 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.221 -4.596 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.655 -5.173 10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.801 -7.278 9.884 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.019 -8.257 8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.799 -6.715 8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.182 -3.273 9.263 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.007 -4.743 8.691 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.551 -4.157 7.853 1.00 0.00 H new