USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 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= -6.08 K(o=-6.1,f=-7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc=-0.00557 X(o=-0.0056,f=-0.29) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.49) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 140:sc= -1.78 (180deg=-3.39!) USER MOD Single : A 48 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-4.8!) 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= -1.29! C(o=-1.3!,f=-3.7!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00518 USER MOD Single : A 61 GLN : amide:sc= -6.72! C(o=-6.7!,f=-11!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 86:sc= 1.26 USER MOD Single : A 76 HIS :FLIP no HD1:sc= 0.171 F(o=-1.5!,f=0.17) USER MOD Single : A 77 MET CE :methyl 172:sc= -2.85 (180deg=-3.01) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -1.395 12.907 -10.043 1.00 0.00 N ATOM 67 CA ASP A 8 -0.715 11.827 -9.338 1.00 0.00 C ATOM 68 C ASP A 8 -1.613 11.233 -8.257 1.00 0.00 C ATOM 69 O ASP A 8 -2.558 11.875 -7.798 1.00 0.00 O ATOM 70 CB ASP A 8 0.586 12.335 -8.715 1.00 0.00 C ATOM 71 CG ASP A 8 1.362 13.239 -9.652 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.138 12.713 -10.477 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.194 14.474 -9.560 1.00 0.00 O ATOM 0 HA ASP A 8 -0.481 11.045 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.358 12.877 -7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.209 11.485 -8.437 1.00 0.00 H new ATOM 78 N VAL A 9 -1.313 10.002 -7.855 1.00 0.00 N ATOM 79 CA VAL A 9 -2.092 9.321 -6.829 1.00 0.00 C ATOM 80 C VAL A 9 -1.424 9.437 -5.464 1.00 0.00 C ATOM 81 O VAL A 9 -0.439 8.753 -5.183 1.00 0.00 O ATOM 82 CB VAL A 9 -2.287 7.832 -7.168 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.087 7.136 -6.077 1.00 0.00 C ATOM 84 CG2 VAL A 9 -2.968 7.678 -8.519 1.00 0.00 C ATOM 0 H VAL A 9 -0.535 9.456 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.066 9.809 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.307 7.359 -7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.215 6.084 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.555 7.216 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.065 7.608 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.098 6.619 -8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.943 8.165 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.352 8.139 -9.291 1.00 0.00 H new ATOM 94 N ARG A 10 -1.965 10.307 -4.617 1.00 0.00 N ATOM 95 CA ARG A 10 -1.421 10.513 -3.281 1.00 0.00 C ATOM 96 C ARG A 10 -1.589 9.261 -2.426 1.00 0.00 C ATOM 97 O ARG A 10 -2.708 8.870 -2.092 1.00 0.00 O ATOM 98 CB ARG A 10 -2.107 11.702 -2.605 1.00 0.00 C ATOM 99 CG ARG A 10 -1.238 12.401 -1.573 1.00 0.00 C ATOM 100 CD ARG A 10 -2.004 13.497 -0.849 1.00 0.00 C ATOM 101 NE ARG A 10 -2.052 14.734 -1.623 1.00 0.00 N ATOM 102 CZ ARG A 10 -2.959 14.980 -2.561 1.00 0.00 C ATOM 103 NH1 ARG A 10 -3.891 14.078 -2.840 1.00 0.00 N ATOM 104 NH2 ARG A 10 -2.937 16.130 -3.223 1.00 0.00 N ATOM 0 H ARG A 10 -2.780 10.881 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.356 10.725 -3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.401 12.423 -3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.022 11.357 -2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.873 11.672 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.363 12.830 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.019 13.156 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.535 13.691 0.115 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.350 15.449 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.912 13.193 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.587 14.270 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.223 16.827 -3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.635 16.317 -3.943 1.00 0.00 H new ATOM 118 N VAL A 11 -0.471 8.635 -2.074 1.00 0.00 N ATOM 119 CA VAL A 11 -0.494 7.427 -1.258 1.00 0.00 C ATOM 120 C VAL A 11 0.247 7.639 0.058 1.00 0.00 C ATOM 121 O VAL A 11 1.440 7.942 0.069 1.00 0.00 O ATOM 122 CB VAL A 11 0.134 6.234 -2.002 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.165 5.003 -1.109 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.625 5.950 -3.289 1.00 0.00 C ATOM 0 H VAL A 11 0.463 8.945 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.541 7.205 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 11 1.161 6.490 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.612 4.171 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.756 5.215 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.851 4.741 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.168 5.104 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.663 5.714 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.589 6.828 -3.934 1.00 0.00 H new ATOM 134 N LYS A 12 -0.468 7.476 1.166 1.00 0.00 N ATOM 135 CA LYS A 12 0.121 7.647 2.489 1.00 0.00 C ATOM 136 C LYS A 12 0.452 6.296 3.115 1.00 0.00 C ATOM 137 O LYS A 12 -0.366 5.376 3.100 1.00 0.00 O ATOM 138 CB LYS A 12 -0.834 8.423 3.398 1.00 0.00 C ATOM 139 CG LYS A 12 -0.181 8.937 4.670 1.00 0.00 C ATOM 140 CD LYS A 12 -0.829 10.224 5.149 1.00 0.00 C ATOM 141 CE LYS A 12 -2.189 9.963 5.778 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.808 11.212 6.301 1.00 0.00 N ATOM 0 H LYS A 12 -1.457 7.226 1.174 1.00 0.00 H new ATOM 0 HA LYS A 12 1.046 8.212 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.244 9.267 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.672 7.779 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.255 8.179 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.881 9.108 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.179 10.712 5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.941 10.911 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.851 9.512 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.081 9.244 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.733 10.991 6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.189 11.629 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.935 11.889 5.522 1.00 0.00 H new ATOM 156 N PHE A 13 1.656 6.184 3.667 1.00 0.00 N ATOM 157 CA PHE A 13 2.094 4.946 4.300 1.00 0.00 C ATOM 158 C PHE A 13 2.075 5.075 5.820 1.00 0.00 C ATOM 159 O PHE A 13 2.178 6.176 6.361 1.00 0.00 O ATOM 160 CB PHE A 13 3.502 4.577 3.826 1.00 0.00 C ATOM 161 CG PHE A 13 3.540 4.040 2.424 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.740 2.970 2.056 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.377 4.604 1.475 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.775 2.473 0.766 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.415 4.112 0.184 1.00 0.00 C ATOM 166 CZ PHE A 13 3.612 3.046 -0.171 1.00 0.00 C ATOM 0 H PHE A 13 2.345 6.936 3.689 1.00 0.00 H new ATOM 0 HA PHE A 13 1.401 4.155 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.140 5.459 3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.922 3.833 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.082 2.519 2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.007 5.438 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.148 1.637 0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.072 4.561 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.639 2.661 -1.180 1.00 0.00 H new ATOM 176 N GLU A 14 1.942 3.942 6.503 1.00 0.00 N ATOM 177 CA GLU A 14 1.908 3.930 7.961 1.00 0.00 C ATOM 178 C GLU A 14 2.518 2.642 8.508 1.00 0.00 C ATOM 179 O GLU A 14 2.019 1.547 8.250 1.00 0.00 O ATOM 180 CB GLU A 14 0.469 4.078 8.461 1.00 0.00 C ATOM 181 CG GLU A 14 0.044 5.521 8.675 1.00 0.00 C ATOM 182 CD GLU A 14 -1.462 5.689 8.693 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.098 5.242 9.671 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.006 6.269 7.730 1.00 0.00 O ATOM 0 H GLU A 14 1.856 3.022 6.071 1.00 0.00 H new ATOM 0 HA GLU A 14 2.498 4.773 8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.206 3.612 7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.362 3.534 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.457 5.882 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.466 6.141 7.884 1.00 0.00 H new ATOM 191 N HIS A 15 3.601 2.783 9.266 1.00 0.00 N ATOM 192 CA HIS A 15 4.280 1.633 9.850 1.00 0.00 C ATOM 193 C HIS A 15 4.858 1.980 11.219 1.00 0.00 C ATOM 194 O HIS A 15 5.604 2.949 11.361 1.00 0.00 O ATOM 195 CB HIS A 15 5.394 1.146 8.922 1.00 0.00 C ATOM 196 CG HIS A 15 5.740 -0.299 9.109 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.746 -0.919 10.341 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.092 -1.249 8.210 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.088 -2.186 10.192 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.303 -2.412 8.908 1.00 0.00 N ATOM 0 H HIS A 15 4.027 3.683 9.490 1.00 0.00 H new ATOM 0 HA HIS A 15 3.547 0.836 9.976 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.091 1.308 7.888 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.286 1.749 9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.189 -1.116 7.143 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.177 -2.914 10.985 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.581 -3.305 8.502 1.00 0.00 H new ATOM 209 N ARG A 16 4.508 1.183 12.223 1.00 0.00 N ATOM 210 CA ARG A 16 4.989 1.408 13.580 1.00 0.00 C ATOM 211 C ARG A 16 4.969 2.894 13.926 1.00 0.00 C ATOM 212 O ARG A 16 5.922 3.421 14.498 1.00 0.00 O ATOM 213 CB ARG A 16 6.407 0.855 13.739 1.00 0.00 C ATOM 214 CG ARG A 16 6.449 -0.614 14.125 1.00 0.00 C ATOM 215 CD ARG A 16 7.789 -1.244 13.778 1.00 0.00 C ATOM 216 NE ARG A 16 7.758 -2.699 13.899 1.00 0.00 N ATOM 217 CZ ARG A 16 8.842 -3.444 14.085 1.00 0.00 C ATOM 218 NH1 ARG A 16 10.036 -2.873 14.170 1.00 0.00 N ATOM 219 NH2 ARG A 16 8.733 -4.762 14.186 1.00 0.00 N ATOM 0 H ARG A 16 3.893 0.376 12.122 1.00 0.00 H new ATOM 0 HA ARG A 16 4.323 0.885 14.266 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.948 0.991 12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.931 1.436 14.498 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.264 -0.716 15.194 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.650 -1.149 13.611 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.065 -0.971 12.759 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.560 -0.842 14.436 1.00 0.00 H new ATOM 0 HE ARG A 16 6.855 -3.169 13.837 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.123 -1.860 14.093 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.867 -3.447 14.313 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.816 -5.204 14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.566 -5.333 14.329 1.00 0.00 H new ATOM 233 N GLY A 17 3.877 3.564 13.572 1.00 0.00 N ATOM 234 CA GLY A 17 3.753 4.982 13.851 1.00 0.00 C ATOM 235 C GLY A 17 4.317 5.844 12.739 1.00 0.00 C ATOM 236 O GLY A 17 3.821 6.940 12.482 1.00 0.00 O ATOM 0 H GLY A 17 3.075 3.149 13.097 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.702 5.229 14.000 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.270 5.212 14.783 1.00 0.00 H new ATOM 240 N GLU A 18 5.359 5.348 12.078 1.00 0.00 N ATOM 241 CA GLU A 18 5.992 6.082 10.989 1.00 0.00 C ATOM 242 C GLU A 18 5.011 6.307 9.842 1.00 0.00 C ATOM 243 O GLU A 18 4.134 5.481 9.589 1.00 0.00 O ATOM 244 CB GLU A 18 7.222 5.325 10.482 1.00 0.00 C ATOM 245 CG GLU A 18 8.279 5.098 11.548 1.00 0.00 C ATOM 246 CD GLU A 18 9.427 4.238 11.057 1.00 0.00 C ATOM 247 OE1 GLU A 18 9.163 3.245 10.347 1.00 0.00 O ATOM 248 OE2 GLU A 18 10.590 4.556 11.384 1.00 0.00 O ATOM 0 H GLU A 18 5.782 4.442 12.278 1.00 0.00 H new ATOM 0 HA GLU A 18 6.304 7.053 11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.906 4.361 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.665 5.881 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.667 6.061 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.819 4.623 12.415 1.00 0.00 H new ATOM 255 N LYS A 19 5.165 7.432 9.152 1.00 0.00 N ATOM 256 CA LYS A 19 4.294 7.768 8.032 1.00 0.00 C ATOM 257 C LYS A 19 5.093 8.385 6.888 1.00 0.00 C ATOM 258 O LYS A 19 6.039 9.139 7.116 1.00 0.00 O ATOM 259 CB LYS A 19 3.198 8.736 8.483 1.00 0.00 C ATOM 260 CG LYS A 19 2.388 8.230 9.664 1.00 0.00 C ATOM 261 CD LYS A 19 1.825 9.377 10.486 1.00 0.00 C ATOM 262 CE LYS A 19 0.831 8.882 11.526 1.00 0.00 C ATOM 263 NZ LYS A 19 0.120 10.007 12.194 1.00 0.00 N ATOM 0 H LYS A 19 5.885 8.127 9.349 1.00 0.00 H new ATOM 0 HA LYS A 19 3.832 6.848 7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.654 9.690 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.525 8.926 7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.572 7.604 9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.017 7.603 10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.640 9.905 10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.336 10.093 9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.104 8.225 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.355 8.288 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.548 9.628 12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.811 10.620 12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.401 10.559 11.483 1.00 0.00 H new ATOM 277 N ARG A 20 4.705 8.061 5.659 1.00 0.00 N ATOM 278 CA ARG A 20 5.385 8.585 4.480 1.00 0.00 C ATOM 279 C ARG A 20 4.442 8.625 3.281 1.00 0.00 C ATOM 280 O ARG A 20 3.890 7.600 2.879 1.00 0.00 O ATOM 281 CB ARG A 20 6.610 7.729 4.151 1.00 0.00 C ATOM 282 CG ARG A 20 7.888 8.214 4.817 1.00 0.00 C ATOM 283 CD ARG A 20 8.375 9.517 4.205 1.00 0.00 C ATOM 284 NE ARG A 20 9.516 10.070 4.930 1.00 0.00 N ATOM 285 CZ ARG A 20 10.363 10.950 4.408 1.00 0.00 C ATOM 286 NH1 ARG A 20 10.197 11.376 3.163 1.00 0.00 N ATOM 287 NH2 ARG A 20 11.377 11.406 5.131 1.00 0.00 N ATOM 0 H ARG A 20 3.924 7.438 5.454 1.00 0.00 H new ATOM 0 HA ARG A 20 5.708 9.603 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.418 6.701 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.755 7.717 3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.713 8.355 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.662 7.453 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.654 9.347 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.561 10.242 4.202 1.00 0.00 H new ATOM 0 HE ARG A 20 9.671 9.763 5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.418 11.028 2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.849 12.052 2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.507 11.081 6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.027 12.082 4.729 1.00 0.00 H new ATOM 301 N ILE A 21 4.262 9.814 2.717 1.00 0.00 N ATOM 302 CA ILE A 21 3.386 9.987 1.564 1.00 0.00 C ATOM 303 C ILE A 21 4.190 10.073 0.271 1.00 0.00 C ATOM 304 O ILE A 21 5.285 10.636 0.245 1.00 0.00 O ATOM 305 CB ILE A 21 2.518 11.252 1.702 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.725 11.213 3.009 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.580 11.383 0.511 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.221 12.570 3.451 1.00 0.00 C ATOM 0 H ILE A 21 4.710 10.672 3.039 1.00 0.00 H new ATOM 0 HA ILE A 21 2.736 9.113 1.527 1.00 0.00 H new ATOM 0 HB ILE A 21 3.173 12.123 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.876 10.540 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.355 10.795 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.973 12.282 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.164 11.452 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.930 10.510 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.668 12.466 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.067 13.240 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.565 12.982 2.684 1.00 0.00 H new ATOM 320 N LEU A 22 3.638 9.514 -0.800 1.00 0.00 N ATOM 321 CA LEU A 22 4.302 9.529 -2.099 1.00 0.00 C ATOM 322 C LEU A 22 3.354 10.014 -3.190 1.00 0.00 C ATOM 323 O LEU A 22 2.189 10.310 -2.926 1.00 0.00 O ATOM 324 CB LEU A 22 4.824 8.133 -2.443 1.00 0.00 C ATOM 325 CG LEU A 22 5.978 7.616 -1.583 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.137 8.600 -1.599 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.510 7.364 -0.158 1.00 0.00 C ATOM 0 H LEU A 22 2.732 9.045 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 22 5.143 10.220 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.996 7.428 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.146 8.134 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 22 6.324 6.671 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.949 8.216 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.489 8.731 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.805 9.560 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.344 6.997 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.137 8.294 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.712 6.621 -0.163 1.00 0.00 H new ATOM 339 N GLN A 23 3.860 10.090 -4.416 1.00 0.00 N ATOM 340 CA GLN A 23 3.057 10.537 -5.548 1.00 0.00 C ATOM 341 C GLN A 23 3.331 9.683 -6.781 1.00 0.00 C ATOM 342 O GLN A 23 4.408 9.756 -7.373 1.00 0.00 O ATOM 343 CB GLN A 23 3.346 12.007 -5.857 1.00 0.00 C ATOM 344 CG GLN A 23 2.545 12.976 -5.002 1.00 0.00 C ATOM 345 CD GLN A 23 2.281 14.293 -5.706 1.00 0.00 C ATOM 346 OE1 GLN A 23 1.149 14.589 -6.089 1.00 0.00 O ATOM 347 NE2 GLN A 23 3.327 15.092 -5.879 1.00 0.00 N ATOM 0 H GLN A 23 4.823 9.848 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 23 2.006 10.429 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.409 12.199 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.130 12.198 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.595 12.516 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.083 13.166 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.248 14.806 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.210 15.992 -6.345 1.00 0.00 H new ATOM 356 N PHE A 24 2.349 8.872 -7.164 1.00 0.00 N ATOM 357 CA PHE A 24 2.485 8.003 -8.327 1.00 0.00 C ATOM 358 C PHE A 24 1.536 8.433 -9.441 1.00 0.00 C ATOM 359 O PHE A 24 0.313 8.363 -9.312 1.00 0.00 O ATOM 360 CB PHE A 24 2.208 6.549 -7.938 1.00 0.00 C ATOM 361 CG PHE A 24 3.019 6.077 -6.765 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.590 6.313 -5.469 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.210 5.397 -6.959 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.335 5.881 -4.389 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.960 4.961 -5.882 1.00 0.00 C ATOM 366 CZ PHE A 24 4.521 5.203 -4.595 1.00 0.00 C ATOM 0 H PHE A 24 1.451 8.799 -6.686 1.00 0.00 H new ATOM 0 HA PHE A 24 3.508 8.085 -8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.149 6.439 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.414 5.907 -8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.663 6.841 -5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.557 5.205 -7.963 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.990 6.073 -3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.887 4.432 -6.047 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.104 4.863 -3.752 1.00 0.00 H new ATOM 376 N PRO A 25 2.110 8.890 -10.564 1.00 0.00 N ATOM 377 CA PRO A 25 1.335 9.340 -11.723 1.00 0.00 C ATOM 378 C PRO A 25 0.633 8.188 -12.435 1.00 0.00 C ATOM 379 O PRO A 25 1.283 7.299 -12.985 1.00 0.00 O ATOM 380 CB PRO A 25 2.393 9.967 -12.635 1.00 0.00 C ATOM 381 CG PRO A 25 3.666 9.291 -12.259 1.00 0.00 C ATOM 382 CD PRO A 25 3.562 9.001 -10.788 1.00 0.00 C ATOM 0 HA PRO A 25 0.537 10.026 -11.438 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.155 9.806 -13.686 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.457 11.045 -12.484 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.803 8.372 -12.829 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.524 9.929 -12.471 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.081 8.080 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.001 9.799 -10.189 1.00 0.00 H new ATOM 390 N ARG A 26 -0.695 8.212 -12.421 1.00 0.00 N ATOM 391 CA ARG A 26 -1.485 7.169 -13.064 1.00 0.00 C ATOM 392 C ARG A 26 -1.059 6.983 -14.518 1.00 0.00 C ATOM 393 O ARG A 26 -0.683 7.932 -15.206 1.00 0.00 O ATOM 394 CB ARG A 26 -2.974 7.512 -12.998 1.00 0.00 C ATOM 395 CG ARG A 26 -3.636 7.100 -11.693 1.00 0.00 C ATOM 396 CD ARG A 26 -5.150 7.046 -11.830 1.00 0.00 C ATOM 397 NE ARG A 26 -5.615 5.724 -12.239 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.768 5.511 -12.863 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.569 6.529 -13.149 1.00 0.00 N ATOM 400 NH2 ARG A 26 -7.123 4.279 -13.204 1.00 0.00 N ATOM 0 H ARG A 26 -1.247 8.942 -11.971 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.311 6.235 -12.529 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.097 8.586 -13.135 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.488 7.024 -13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.262 6.123 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.365 7.806 -10.908 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.610 7.314 -10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.475 7.787 -12.561 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.022 4.920 -12.034 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.300 7.478 -12.890 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.454 6.363 -13.628 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.510 3.493 -12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.009 4.118 -13.683 1.00 0.00 H new ATOM 414 N PRO A 27 -1.118 5.732 -14.997 1.00 0.00 N ATOM 415 CA PRO A 27 -1.563 4.594 -14.186 1.00 0.00 C ATOM 416 C PRO A 27 -0.561 4.233 -13.094 1.00 0.00 C ATOM 417 O PRO A 27 0.650 4.292 -13.304 1.00 0.00 O ATOM 418 CB PRO A 27 -1.676 3.456 -15.204 1.00 0.00 C ATOM 419 CG PRO A 27 -0.733 3.829 -16.295 1.00 0.00 C ATOM 420 CD PRO A 27 -0.754 5.331 -16.366 1.00 0.00 C ATOM 0 HA PRO A 27 -2.493 4.808 -13.659 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.407 2.498 -14.759 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.695 3.359 -15.578 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.272 3.462 -16.085 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.041 3.389 -17.244 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.216 5.733 -16.658 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.480 5.689 -17.096 1.00 0.00 H new ATOM 428 N VAL A 28 -1.075 3.860 -11.926 1.00 0.00 N ATOM 429 CA VAL A 28 -0.226 3.488 -10.801 1.00 0.00 C ATOM 430 C VAL A 28 0.185 2.022 -10.883 1.00 0.00 C ATOM 431 O VAL A 28 -0.646 1.146 -11.124 1.00 0.00 O ATOM 432 CB VAL A 28 -0.935 3.737 -9.457 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.070 3.260 -8.300 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.282 5.210 -9.302 1.00 0.00 C ATOM 0 H VAL A 28 -2.076 3.808 -11.735 1.00 0.00 H new ATOM 0 HA VAL A 28 0.664 4.115 -10.855 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.863 3.166 -9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.588 3.444 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.122 2.192 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.876 3.801 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.782 5.367 -8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.369 5.804 -9.336 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.944 5.515 -10.113 1.00 0.00 H new ATOM 444 N LYS A 29 1.472 1.762 -10.682 1.00 0.00 N ATOM 445 CA LYS A 29 1.995 0.402 -10.731 1.00 0.00 C ATOM 446 C LYS A 29 2.238 -0.138 -9.325 1.00 0.00 C ATOM 447 O LYS A 29 2.984 0.451 -8.542 1.00 0.00 O ATOM 448 CB LYS A 29 3.296 0.363 -11.536 1.00 0.00 C ATOM 449 CG LYS A 29 3.127 0.779 -12.987 1.00 0.00 C ATOM 450 CD LYS A 29 2.614 -0.369 -13.840 1.00 0.00 C ATOM 451 CE LYS A 29 1.891 0.137 -15.079 1.00 0.00 C ATOM 452 NZ LYS A 29 1.524 -0.975 -15.999 1.00 0.00 N ATOM 0 H LYS A 29 2.173 2.476 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 29 1.253 -0.229 -11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.026 1.018 -11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.704 -0.647 -11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.433 1.617 -13.048 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.082 1.127 -13.380 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.449 -1.003 -14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.938 -0.988 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.990 0.674 -14.780 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.527 0.849 -15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.033 -0.590 -16.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.385 -1.472 -16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.897 -1.642 -15.505 1.00 0.00 H new ATOM 466 N LEU A 30 1.605 -1.264 -9.012 1.00 0.00 N ATOM 467 CA LEU A 30 1.754 -1.886 -7.701 1.00 0.00 C ATOM 468 C LEU A 30 3.219 -1.917 -7.276 1.00 0.00 C ATOM 469 O LEU A 30 3.564 -1.487 -6.175 1.00 0.00 O ATOM 470 CB LEU A 30 1.187 -3.306 -7.721 1.00 0.00 C ATOM 471 CG LEU A 30 1.398 -4.131 -6.451 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.584 -3.559 -5.301 1.00 0.00 C ATOM 473 CD2 LEU A 30 1.031 -5.588 -6.694 1.00 0.00 C ATOM 0 H LEU A 30 0.984 -1.764 -9.648 1.00 0.00 H new ATOM 0 HA LEU A 30 1.198 -1.289 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.117 -3.246 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.635 -3.843 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 30 2.453 -4.083 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.747 -4.159 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.895 -2.532 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.474 -3.575 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.187 -6.160 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.016 -5.655 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.658 -5.994 -7.488 1.00 0.00 H new ATOM 485 N GLU A 31 4.075 -2.425 -8.156 1.00 0.00 N ATOM 486 CA GLU A 31 5.502 -2.510 -7.872 1.00 0.00 C ATOM 487 C GLU A 31 6.051 -1.156 -7.434 1.00 0.00 C ATOM 488 O GLU A 31 6.894 -1.075 -6.541 1.00 0.00 O ATOM 489 CB GLU A 31 6.262 -3.007 -9.104 1.00 0.00 C ATOM 490 CG GLU A 31 6.574 -1.911 -10.109 1.00 0.00 C ATOM 491 CD GLU A 31 6.814 -2.452 -11.505 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.007 -3.286 -11.966 1.00 0.00 O ATOM 493 OE2 GLU A 31 7.809 -2.039 -12.138 1.00 0.00 O ATOM 0 H GLU A 31 3.805 -2.784 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 31 5.642 -3.220 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.195 -3.470 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.674 -3.782 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.747 -1.201 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.456 -1.361 -9.780 1.00 0.00 H new ATOM 500 N ASP A 32 5.568 -0.094 -8.071 1.00 0.00 N ATOM 501 CA ASP A 32 6.009 1.257 -7.748 1.00 0.00 C ATOM 502 C ASP A 32 5.721 1.589 -6.287 1.00 0.00 C ATOM 503 O ASP A 32 6.592 2.080 -5.567 1.00 0.00 O ATOM 504 CB ASP A 32 5.320 2.273 -8.660 1.00 0.00 C ATOM 505 CG ASP A 32 6.140 3.534 -8.847 1.00 0.00 C ATOM 506 OD1 ASP A 32 7.021 3.800 -8.002 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.902 4.255 -9.839 1.00 0.00 O ATOM 0 H ASP A 32 4.871 -0.144 -8.814 1.00 0.00 H new ATOM 0 HA ASP A 32 7.086 1.308 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.134 1.817 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.349 2.534 -8.240 1.00 0.00 H new ATOM 512 N LEU A 33 4.494 1.318 -5.855 1.00 0.00 N ATOM 513 CA LEU A 33 4.090 1.589 -4.480 1.00 0.00 C ATOM 514 C LEU A 33 5.028 0.902 -3.492 1.00 0.00 C ATOM 515 O LEU A 33 5.516 1.525 -2.549 1.00 0.00 O ATOM 516 CB LEU A 33 2.653 1.118 -4.248 1.00 0.00 C ATOM 517 CG LEU A 33 1.552 2.050 -4.753 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.305 1.257 -5.113 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.229 3.110 -3.709 1.00 0.00 C ATOM 0 H LEU A 33 3.762 0.911 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 33 4.144 2.665 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.528 0.147 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.510 0.966 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 33 1.911 2.551 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.468 1.937 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.545 0.537 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.057 0.728 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.443 3.764 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.890 2.627 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.122 3.699 -3.500 1.00 0.00 H new ATOM 531 N ARG A 34 5.277 -0.384 -3.716 1.00 0.00 N ATOM 532 CA ARG A 34 6.158 -1.154 -2.847 1.00 0.00 C ATOM 533 C ARG A 34 7.588 -0.627 -2.916 1.00 0.00 C ATOM 534 O ARG A 34 8.248 -0.457 -1.891 1.00 0.00 O ATOM 535 CB ARG A 34 6.128 -2.633 -3.237 1.00 0.00 C ATOM 536 CG ARG A 34 4.726 -3.212 -3.324 1.00 0.00 C ATOM 537 CD ARG A 34 4.757 -4.712 -3.571 1.00 0.00 C ATOM 538 NE ARG A 34 5.208 -5.452 -2.396 1.00 0.00 N ATOM 539 CZ ARG A 34 4.907 -6.726 -2.169 1.00 0.00 C ATOM 540 NH1 ARG A 34 4.160 -7.399 -3.034 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.355 -7.331 -1.076 1.00 0.00 N ATOM 0 H ARG A 34 4.881 -0.914 -4.492 1.00 0.00 H new ATOM 0 HA ARG A 34 5.800 -1.048 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.623 -2.756 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.703 -3.204 -2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.188 -3.006 -2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.178 -2.721 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.761 -5.053 -3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.418 -4.927 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 34 5.786 -4.964 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.815 -6.939 -3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.931 -8.377 -2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.931 -6.818 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.123 -8.309 -0.903 1.00 0.00 H new ATOM 555 N SER A 35 8.061 -0.372 -4.132 1.00 0.00 N ATOM 556 CA SER A 35 9.414 0.131 -4.336 1.00 0.00 C ATOM 557 C SER A 35 9.674 1.358 -3.467 1.00 0.00 C ATOM 558 O SER A 35 10.644 1.404 -2.710 1.00 0.00 O ATOM 559 CB SER A 35 9.635 0.480 -5.809 1.00 0.00 C ATOM 560 OG SER A 35 11.013 0.457 -6.137 1.00 0.00 O ATOM 0 H SER A 35 7.527 -0.506 -4.991 1.00 0.00 H new ATOM 0 HA SER A 35 10.114 -0.653 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.096 -0.228 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.225 1.468 -6.017 1.00 0.00 H new ATOM 0 HG SER A 35 11.128 0.682 -7.084 1.00 0.00 H new ATOM 566 N LYS A 36 8.800 2.352 -3.581 1.00 0.00 N ATOM 567 CA LYS A 36 8.932 3.580 -2.807 1.00 0.00 C ATOM 568 C LYS A 36 9.043 3.274 -1.316 1.00 0.00 C ATOM 569 O LYS A 36 10.067 3.547 -0.692 1.00 0.00 O ATOM 570 CB LYS A 36 7.735 4.499 -3.062 1.00 0.00 C ATOM 571 CG LYS A 36 7.721 5.108 -4.453 1.00 0.00 C ATOM 572 CD LYS A 36 8.916 6.020 -4.675 1.00 0.00 C ATOM 573 CE LYS A 36 8.581 7.156 -5.629 1.00 0.00 C ATOM 574 NZ LYS A 36 9.743 8.063 -5.841 1.00 0.00 N ATOM 0 H LYS A 36 7.992 2.331 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 36 9.844 4.085 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.815 3.933 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.739 5.301 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.725 4.313 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.800 5.673 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.244 6.430 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.748 5.440 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.262 6.744 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.742 7.728 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.474 8.824 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.031 8.476 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.536 7.523 -6.243 1.00 0.00 H new ATOM 588 N ALA A 37 7.982 2.705 -0.753 1.00 0.00 N ATOM 589 CA ALA A 37 7.962 2.359 0.663 1.00 0.00 C ATOM 590 C ALA A 37 9.231 1.615 1.063 1.00 0.00 C ATOM 591 O ALA A 37 9.744 1.791 2.169 1.00 0.00 O ATOM 592 CB ALA A 37 6.733 1.522 0.984 1.00 0.00 C ATOM 0 H ALA A 37 7.125 2.474 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 37 7.918 3.284 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.731 1.271 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.834 2.089 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.753 0.606 0.394 1.00 0.00 H new ATOM 598 N LYS A 38 9.734 0.782 0.158 1.00 0.00 N ATOM 599 CA LYS A 38 10.944 0.011 0.417 1.00 0.00 C ATOM 600 C LYS A 38 12.173 0.915 0.436 1.00 0.00 C ATOM 601 O LYS A 38 13.119 0.676 1.186 1.00 0.00 O ATOM 602 CB LYS A 38 11.116 -1.078 -0.645 1.00 0.00 C ATOM 603 CG LYS A 38 12.228 -2.063 -0.331 1.00 0.00 C ATOM 604 CD LYS A 38 12.433 -3.053 -1.466 1.00 0.00 C ATOM 605 CE LYS A 38 13.473 -2.556 -2.458 1.00 0.00 C ATOM 606 NZ LYS A 38 12.855 -1.782 -3.570 1.00 0.00 N ATOM 0 H LYS A 38 9.322 0.624 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 38 10.844 -0.456 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.178 -1.623 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.320 -0.607 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.155 -1.520 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.989 -2.603 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.747 -4.014 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.487 -3.218 -1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.199 -1.930 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.020 -3.406 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.437 -1.879 -4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.899 -2.147 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.796 -0.778 -3.304 1.00 0.00 H new ATOM 620 N ILE A 39 12.149 1.954 -0.392 1.00 0.00 N ATOM 621 CA ILE A 39 13.260 2.895 -0.468 1.00 0.00 C ATOM 622 C ILE A 39 13.227 3.879 0.697 1.00 0.00 C ATOM 623 O ILE A 39 14.268 4.258 1.232 1.00 0.00 O ATOM 624 CB ILE A 39 13.242 3.683 -1.791 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.350 2.726 -2.981 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.373 4.700 -1.818 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.666 3.235 -4.230 1.00 0.00 C ATOM 0 H ILE A 39 11.373 2.165 -1.019 1.00 0.00 H new ATOM 0 HA ILE A 39 14.176 2.306 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 39 12.296 4.219 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.403 2.549 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.916 1.765 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.347 5.249 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.255 5.397 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.329 4.184 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.783 2.506 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.605 3.385 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.116 4.181 -4.531 1.00 0.00 H new ATOM 639 N ALA A 40 12.023 4.288 1.085 1.00 0.00 N ATOM 640 CA ALA A 40 11.854 5.225 2.188 1.00 0.00 C ATOM 641 C ALA A 40 12.272 4.595 3.512 1.00 0.00 C ATOM 642 O ALA A 40 13.035 5.184 4.278 1.00 0.00 O ATOM 643 CB ALA A 40 10.410 5.700 2.260 1.00 0.00 C ATOM 0 H ALA A 40 11.151 3.985 0.651 1.00 0.00 H new ATOM 0 HA ALA A 40 12.499 6.084 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.298 6.399 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.143 6.197 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.753 4.844 2.416 1.00 0.00 H new ATOM 649 N PHE A 41 11.766 3.395 3.777 1.00 0.00 N ATOM 650 CA PHE A 41 12.086 2.685 5.010 1.00 0.00 C ATOM 651 C PHE A 41 13.364 1.865 4.850 1.00 0.00 C ATOM 652 O PHE A 41 14.174 1.774 5.771 1.00 0.00 O ATOM 653 CB PHE A 41 10.927 1.771 5.412 1.00 0.00 C ATOM 654 CG PHE A 41 9.706 2.517 5.868 1.00 0.00 C ATOM 655 CD1 PHE A 41 8.993 3.311 4.984 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.270 2.424 7.180 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.868 3.998 5.399 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.146 3.109 7.601 1.00 0.00 C ATOM 659 CZ PHE A 41 7.445 3.898 6.710 1.00 0.00 C ATOM 0 H PHE A 41 11.133 2.894 3.154 1.00 0.00 H new ATOM 0 HA PHE A 41 12.246 3.424 5.795 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.662 1.140 4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.258 1.108 6.212 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.320 3.394 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.815 1.809 7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.320 4.612 4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.816 3.027 8.626 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.568 4.436 7.038 1.00 0.00 H new ATOM 669 N GLY A 42 13.535 1.270 3.674 1.00 0.00 N ATOM 670 CA GLY A 42 14.714 0.466 3.414 1.00 0.00 C ATOM 671 C GLY A 42 14.507 -0.995 3.761 1.00 0.00 C ATOM 672 O GLY A 42 15.402 -1.643 4.305 1.00 0.00 O ATOM 0 H GLY A 42 12.878 1.331 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.984 0.552 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.552 0.858 3.991 1.00 0.00 H new ATOM 676 N GLN A 43 13.324 -1.514 3.449 1.00 0.00 N ATOM 677 CA GLN A 43 13.002 -2.908 3.734 1.00 0.00 C ATOM 678 C GLN A 43 11.728 -3.331 3.011 1.00 0.00 C ATOM 679 O GLN A 43 10.792 -2.544 2.871 1.00 0.00 O ATOM 680 CB GLN A 43 12.842 -3.118 5.240 1.00 0.00 C ATOM 681 CG GLN A 43 14.136 -3.495 5.943 1.00 0.00 C ATOM 682 CD GLN A 43 13.900 -4.241 7.241 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.157 -5.442 7.336 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.407 -3.533 8.250 1.00 0.00 N ATOM 0 H GLN A 43 12.573 -0.991 2.999 1.00 0.00 H new ATOM 0 HA GLN A 43 13.824 -3.526 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.449 -2.204 5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.103 -3.901 5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.739 -4.113 5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.710 -2.591 6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.209 -2.540 8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.227 -3.982 9.148 1.00 0.00 H new ATOM 693 N SER A 44 11.700 -4.579 2.553 1.00 0.00 N ATOM 694 CA SER A 44 10.542 -5.105 1.840 1.00 0.00 C ATOM 695 C SER A 44 9.386 -5.368 2.801 1.00 0.00 C ATOM 696 O SER A 44 9.494 -6.195 3.707 1.00 0.00 O ATOM 697 CB SER A 44 10.912 -6.395 1.105 1.00 0.00 C ATOM 698 OG SER A 44 11.466 -6.114 -0.169 1.00 0.00 O ATOM 0 H SER A 44 12.466 -5.244 2.663 1.00 0.00 H new ATOM 0 HA SER A 44 10.224 -4.358 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.628 -6.964 1.699 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.026 -7.019 0.990 1.00 0.00 H new ATOM 0 HG SER A 44 11.696 -6.954 -0.618 1.00 0.00 H new ATOM 704 N MET A 45 8.282 -4.658 2.596 1.00 0.00 N ATOM 705 CA MET A 45 7.105 -4.815 3.443 1.00 0.00 C ATOM 706 C MET A 45 5.832 -4.861 2.603 1.00 0.00 C ATOM 707 O MET A 45 5.770 -4.276 1.522 1.00 0.00 O ATOM 708 CB MET A 45 7.021 -3.670 4.455 1.00 0.00 C ATOM 709 CG MET A 45 7.238 -2.298 3.838 1.00 0.00 C ATOM 710 SD MET A 45 7.785 -1.073 5.043 1.00 0.00 S ATOM 711 CE MET A 45 9.164 -1.932 5.797 1.00 0.00 C ATOM 0 H MET A 45 8.177 -3.969 1.851 1.00 0.00 H new ATOM 0 HA MET A 45 7.199 -5.759 3.980 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.043 -3.692 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.765 -3.830 5.236 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.979 -2.375 3.042 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.310 -1.960 3.378 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.978 -1.229 5.972 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.848 -2.365 6.746 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.506 -2.725 5.132 1.00 0.00 H new ATOM 721 N ASP A 46 4.821 -5.558 3.107 1.00 0.00 N ATOM 722 CA ASP A 46 3.549 -5.679 2.403 1.00 0.00 C ATOM 723 C ASP A 46 2.793 -4.354 2.415 1.00 0.00 C ATOM 724 O ASP A 46 3.100 -3.460 3.204 1.00 0.00 O ATOM 725 CB ASP A 46 2.692 -6.775 3.039 1.00 0.00 C ATOM 726 CG ASP A 46 3.087 -8.163 2.571 1.00 0.00 C ATOM 727 OD1 ASP A 46 3.977 -8.771 3.202 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.505 -8.640 1.575 1.00 0.00 O ATOM 0 H ASP A 46 4.857 -6.048 4.001 1.00 0.00 H new ATOM 0 HA ASP A 46 3.759 -5.948 1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.784 -6.721 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.644 -6.598 2.799 1.00 0.00 H new ATOM 733 N LEU A 47 1.805 -4.235 1.536 1.00 0.00 N ATOM 734 CA LEU A 47 1.005 -3.018 1.444 1.00 0.00 C ATOM 735 C LEU A 47 -0.473 -3.320 1.670 1.00 0.00 C ATOM 736 O LEU A 47 -1.166 -3.790 0.767 1.00 0.00 O ATOM 737 CB LEU A 47 1.200 -2.359 0.077 1.00 0.00 C ATOM 738 CG LEU A 47 2.355 -1.362 -0.029 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.686 -2.063 0.189 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.333 -0.662 -1.380 1.00 0.00 C ATOM 0 H LEU A 47 1.538 -4.966 0.877 1.00 0.00 H new ATOM 0 HA LEU A 47 1.340 -2.332 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.355 -3.144 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.277 -1.845 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 47 2.233 -0.609 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.496 -1.338 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.700 -2.517 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.817 -2.838 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.162 0.044 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.430 -1.402 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.391 -0.126 -1.497 1.00 0.00 H new ATOM 752 N HIS A 48 -0.949 -3.045 2.880 1.00 0.00 N ATOM 753 CA HIS A 48 -2.346 -3.284 3.224 1.00 0.00 C ATOM 754 C HIS A 48 -3.119 -1.971 3.305 1.00 0.00 C ATOM 755 O HIS A 48 -2.904 -1.167 4.213 1.00 0.00 O ATOM 756 CB HIS A 48 -2.445 -4.030 4.555 1.00 0.00 C ATOM 757 CG HIS A 48 -1.963 -5.446 4.485 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.849 -5.828 3.767 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.449 -6.576 5.050 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.673 -7.131 3.892 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.630 -7.609 4.666 1.00 0.00 N ATOM 0 H HIS A 48 -0.388 -2.657 3.638 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.788 -3.897 2.438 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.865 -3.494 5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.483 -4.024 4.889 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.319 -6.651 5.685 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.119 -7.708 3.438 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.743 -8.586 4.935 1.00 0.00 H new ATOM 770 N TYR A 49 -4.017 -1.759 2.350 1.00 0.00 N ATOM 771 CA TYR A 49 -4.819 -0.541 2.311 1.00 0.00 C ATOM 772 C TYR A 49 -6.250 -0.817 2.761 1.00 0.00 C ATOM 773 O TYR A 49 -6.855 -1.816 2.371 1.00 0.00 O ATOM 774 CB TYR A 49 -4.821 0.049 0.900 1.00 0.00 C ATOM 775 CG TYR A 49 -5.987 -0.410 0.053 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.938 -1.615 -0.637 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.137 0.362 -0.057 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.000 -2.038 -1.411 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.204 -0.054 -0.829 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.131 -1.255 -1.504 1.00 0.00 C ATOM 781 OH TYR A 49 -9.192 -1.672 -2.275 1.00 0.00 O ATOM 0 H TYR A 49 -4.208 -2.414 1.592 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.374 0.179 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.840 1.137 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.891 -0.222 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.054 -2.231 -0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.198 1.303 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.945 -2.977 -1.941 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.091 0.558 -0.904 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.019 -1.612 -1.753 1.00 0.00 H new ATOM 791 N THR A 50 -6.787 0.077 3.585 1.00 0.00 N ATOM 792 CA THR A 50 -8.147 -0.068 4.090 1.00 0.00 C ATOM 793 C THR A 50 -9.098 0.899 3.395 1.00 0.00 C ATOM 794 O THR A 50 -8.745 2.046 3.127 1.00 0.00 O ATOM 795 CB THR A 50 -8.210 0.171 5.610 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.945 1.548 5.901 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.205 -0.708 6.339 1.00 0.00 C ATOM 0 H THR A 50 -6.301 0.910 3.917 1.00 0.00 H new ATOM 0 HA THR A 50 -8.455 -1.092 3.877 1.00 0.00 H new ATOM 0 HB THR A 50 -9.212 -0.087 5.954 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.989 1.692 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.268 -0.521 7.411 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.427 -1.756 6.140 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.199 -0.477 5.989 1.00 0.00 H new ATOM 805 N ASN A 51 -10.306 0.427 3.105 1.00 0.00 N ATOM 806 CA ASN A 51 -11.309 1.251 2.440 1.00 0.00 C ATOM 807 C ASN A 51 -12.186 1.970 3.461 1.00 0.00 C ATOM 808 O ASN A 51 -12.208 3.199 3.519 1.00 0.00 O ATOM 809 CB ASN A 51 -12.178 0.391 1.520 1.00 0.00 C ATOM 810 CG ASN A 51 -13.432 1.113 1.068 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.569 2.322 1.258 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.357 0.373 0.467 1.00 0.00 N ATOM 0 H ASN A 51 -10.614 -0.521 3.320 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.790 2.000 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.597 0.097 0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.457 -0.525 2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.223 0.804 0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.202 -0.626 0.330 1.00 0.00 H new ATOM 819 N ASN A 52 -12.907 1.195 4.264 1.00 0.00 N ATOM 820 CA ASN A 52 -13.786 1.757 5.283 1.00 0.00 C ATOM 821 C ASN A 52 -13.566 1.073 6.629 1.00 0.00 C ATOM 822 O ASN A 52 -13.075 1.687 7.575 1.00 0.00 O ATOM 823 CB ASN A 52 -15.249 1.615 4.859 1.00 0.00 C ATOM 824 CG ASN A 52 -16.135 2.683 5.470 1.00 0.00 C ATOM 825 OD1 ASN A 52 -15.913 3.116 6.601 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.144 3.114 4.723 1.00 0.00 N ATOM 0 H ASN A 52 -12.900 0.176 4.229 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.547 2.815 5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.316 1.669 3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.616 0.631 5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.773 3.833 5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.290 2.727 3.791 1.00 0.00 H new ATOM 833 N GLU A 53 -13.933 -0.203 6.705 1.00 0.00 N ATOM 834 CA GLU A 53 -13.776 -0.970 7.935 1.00 0.00 C ATOM 835 C GLU A 53 -13.162 -2.337 7.649 1.00 0.00 C ATOM 836 O GLU A 53 -13.412 -3.306 8.368 1.00 0.00 O ATOM 837 CB GLU A 53 -15.128 -1.142 8.631 1.00 0.00 C ATOM 838 CG GLU A 53 -15.836 0.172 8.917 1.00 0.00 C ATOM 839 CD GLU A 53 -16.714 0.105 10.151 1.00 0.00 C ATOM 840 OE1 GLU A 53 -17.728 -0.624 10.119 1.00 0.00 O ATOM 841 OE2 GLU A 53 -16.388 0.780 11.150 1.00 0.00 O ATOM 0 H GLU A 53 -14.341 -0.726 5.930 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.104 -0.419 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.771 -1.764 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.979 -1.677 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.094 0.960 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.446 0.447 8.056 1.00 0.00 H new ATOM 848 N LEU A 54 -12.358 -2.409 6.594 1.00 0.00 N ATOM 849 CA LEU A 54 -11.707 -3.657 6.211 1.00 0.00 C ATOM 850 C LEU A 54 -10.287 -3.402 5.716 1.00 0.00 C ATOM 851 O LEU A 54 -9.896 -2.258 5.482 1.00 0.00 O ATOM 852 CB LEU A 54 -12.518 -4.365 5.124 1.00 0.00 C ATOM 853 CG LEU A 54 -13.954 -4.739 5.494 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.687 -5.303 4.286 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.966 -5.737 6.642 1.00 0.00 C ATOM 0 H LEU A 54 -12.141 -1.618 5.988 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.655 -4.296 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.546 -3.723 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.989 -5.274 4.838 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.472 -3.837 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.707 -5.563 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.710 -4.556 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.170 -6.194 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.996 -5.992 6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.431 -6.639 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.480 -5.296 7.512 1.00 0.00 H new ATOM 867 N VAL A 55 -9.519 -4.475 5.557 1.00 0.00 N ATOM 868 CA VAL A 55 -8.143 -4.368 5.088 1.00 0.00 C ATOM 869 C VAL A 55 -7.916 -5.230 3.851 1.00 0.00 C ATOM 870 O VAL A 55 -8.234 -6.420 3.845 1.00 0.00 O ATOM 871 CB VAL A 55 -7.142 -4.785 6.182 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.714 -4.663 5.673 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.344 -3.947 7.435 1.00 0.00 C ATOM 0 H VAL A 55 -9.827 -5.429 5.746 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.976 -3.321 4.834 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.323 -5.829 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.021 -4.962 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.580 -5.310 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.516 -3.630 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.629 -4.255 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.191 -2.894 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.358 -4.091 7.809 1.00 0.00 H new ATOM 883 N ILE A 56 -7.364 -4.623 2.806 1.00 0.00 N ATOM 884 CA ILE A 56 -7.093 -5.336 1.564 1.00 0.00 C ATOM 885 C ILE A 56 -5.600 -5.352 1.255 1.00 0.00 C ATOM 886 O ILE A 56 -5.014 -4.349 0.848 1.00 0.00 O ATOM 887 CB ILE A 56 -7.845 -4.705 0.377 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.307 -4.448 0.750 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.755 -5.605 -0.846 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.543 -3.086 1.365 1.00 0.00 C ATOM 0 H ILE A 56 -7.096 -3.639 2.795 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.444 -6.358 1.703 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.378 -3.750 0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.924 -4.546 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.635 -5.216 1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.291 -5.145 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.709 -5.742 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.200 -6.574 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.600 -2.973 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.953 -2.991 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.246 -2.311 0.658 1.00 0.00 H new ATOM 902 N PRO A 57 -4.969 -6.519 1.449 1.00 0.00 N ATOM 903 CA PRO A 57 -3.536 -6.696 1.195 1.00 0.00 C ATOM 904 C PRO A 57 -3.201 -6.651 -0.292 1.00 0.00 C ATOM 905 O PRO A 57 -3.378 -7.637 -1.009 1.00 0.00 O ATOM 906 CB PRO A 57 -3.243 -8.086 1.767 1.00 0.00 C ATOM 907 CG PRO A 57 -4.547 -8.802 1.708 1.00 0.00 C ATOM 908 CD PRO A 57 -5.605 -7.757 1.932 1.00 0.00 C ATOM 0 HA PRO A 57 -2.941 -5.901 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.481 -8.602 1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.872 -8.023 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.680 -9.291 0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.600 -9.580 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.517 -7.983 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.881 -7.683 2.984 1.00 0.00 H new ATOM 916 N LEU A 58 -2.716 -5.502 -0.750 1.00 0.00 N ATOM 917 CA LEU A 58 -2.356 -5.328 -2.153 1.00 0.00 C ATOM 918 C LEU A 58 -1.275 -6.323 -2.565 1.00 0.00 C ATOM 919 O LEU A 58 -0.097 -6.140 -2.257 1.00 0.00 O ATOM 920 CB LEU A 58 -1.871 -3.899 -2.402 1.00 0.00 C ATOM 921 CG LEU A 58 -2.958 -2.829 -2.498 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.434 -1.490 -2.003 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.465 -2.709 -3.928 1.00 0.00 C ATOM 0 H LEU A 58 -2.563 -4.677 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.244 -5.514 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.188 -3.623 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.296 -3.888 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.791 -3.128 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.222 -0.740 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.121 -1.584 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.583 -1.185 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.238 -1.942 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.640 -2.434 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.881 -3.664 -4.248 1.00 0.00 H new ATOM 935 N THR A 59 -1.684 -7.377 -3.265 1.00 0.00 N ATOM 936 CA THR A 59 -0.752 -8.401 -3.720 1.00 0.00 C ATOM 937 C THR A 59 -0.632 -8.399 -5.240 1.00 0.00 C ATOM 938 O THR A 59 0.468 -8.476 -5.787 1.00 0.00 O ATOM 939 CB THR A 59 -1.185 -9.803 -3.252 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.539 -10.054 -3.644 1.00 0.00 O ATOM 941 CG2 THR A 59 -1.056 -9.933 -1.742 1.00 0.00 C ATOM 0 H THR A 59 -2.655 -7.543 -3.529 1.00 0.00 H new ATOM 0 HA THR A 59 0.217 -8.163 -3.282 1.00 0.00 H new ATOM 0 HB THR A 59 -0.530 -10.537 -3.721 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.806 -10.948 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.367 -10.931 -1.435 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.018 -9.771 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.690 -9.190 -1.257 1.00 0.00 H new ATOM 949 N THR A 60 -1.772 -8.309 -5.918 1.00 0.00 N ATOM 950 CA THR A 60 -1.795 -8.297 -7.376 1.00 0.00 C ATOM 951 C THR A 60 -2.250 -6.943 -7.907 1.00 0.00 C ATOM 952 O THR A 60 -2.914 -6.181 -7.204 1.00 0.00 O ATOM 953 CB THR A 60 -2.724 -9.392 -7.932 1.00 0.00 C ATOM 954 OG1 THR A 60 -4.048 -9.222 -7.412 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.206 -10.776 -7.570 1.00 0.00 C ATOM 0 H THR A 60 -2.691 -8.243 -5.481 1.00 0.00 H new ATOM 0 HA THR A 60 -0.776 -8.492 -7.710 1.00 0.00 H new ATOM 0 HB THR A 60 -2.746 -9.302 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.633 -9.921 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.878 -11.533 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.210 -10.913 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.158 -10.874 -6.486 1.00 0.00 H new ATOM 963 N GLN A 61 -1.890 -6.650 -9.153 1.00 0.00 N ATOM 964 CA GLN A 61 -2.262 -5.386 -9.778 1.00 0.00 C ATOM 965 C GLN A 61 -3.772 -5.179 -9.731 1.00 0.00 C ATOM 966 O GLN A 61 -4.251 -4.109 -9.355 1.00 0.00 O ATOM 967 CB GLN A 61 -1.775 -5.347 -11.227 1.00 0.00 C ATOM 968 CG GLN A 61 -1.574 -3.939 -11.764 1.00 0.00 C ATOM 969 CD GLN A 61 -2.744 -3.026 -11.458 1.00 0.00 C ATOM 970 OE1 GLN A 61 -3.900 -3.376 -11.700 1.00 0.00 O ATOM 971 NE2 GLN A 61 -2.451 -1.846 -10.923 1.00 0.00 N ATOM 0 H GLN A 61 -1.342 -7.270 -9.749 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.786 -4.580 -9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.834 -5.892 -11.300 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.495 -5.868 -11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.666 -3.516 -11.334 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.425 -3.983 -12.843 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.479 -1.597 -10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.198 -1.189 -10.696 1.00 0.00 H new ATOM 980 N ASP A 62 -4.517 -6.210 -10.114 1.00 0.00 N ATOM 981 CA ASP A 62 -5.974 -6.142 -10.115 1.00 0.00 C ATOM 982 C ASP A 62 -6.486 -5.434 -8.864 1.00 0.00 C ATOM 983 O ASP A 62 -7.394 -4.606 -8.935 1.00 0.00 O ATOM 984 CB ASP A 62 -6.572 -7.547 -10.201 1.00 0.00 C ATOM 985 CG ASP A 62 -8.053 -7.568 -9.877 1.00 0.00 C ATOM 986 OD1 ASP A 62 -8.396 -7.666 -8.680 1.00 0.00 O ATOM 987 OD2 ASP A 62 -8.868 -7.486 -10.819 1.00 0.00 O ATOM 0 H ASP A 62 -4.136 -7.103 -10.428 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.285 -5.569 -10.988 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.417 -7.944 -11.204 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.043 -8.206 -9.513 1.00 0.00 H new ATOM 992 N ASP A 63 -5.897 -5.766 -7.720 1.00 0.00 N ATOM 993 CA ASP A 63 -6.293 -5.162 -6.453 1.00 0.00 C ATOM 994 C ASP A 63 -6.035 -3.659 -6.464 1.00 0.00 C ATOM 995 O ASP A 63 -6.939 -2.861 -6.211 1.00 0.00 O ATOM 996 CB ASP A 63 -5.537 -5.814 -5.295 1.00 0.00 C ATOM 997 CG ASP A 63 -5.840 -7.294 -5.166 1.00 0.00 C ATOM 998 OD1 ASP A 63 -6.177 -7.922 -6.191 1.00 0.00 O ATOM 999 OD2 ASP A 63 -5.740 -7.824 -4.039 1.00 0.00 O ATOM 0 H ASP A 63 -5.144 -6.450 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.362 -5.328 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.466 -5.677 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.799 -5.310 -4.365 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.796 -3.278 -6.756 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.418 -1.870 -6.798 1.00 0.00 C ATOM 1006 C LEU A 64 -5.392 -1.070 -7.657 1.00 0.00 C ATOM 1007 O LEU A 64 -5.930 -0.053 -7.219 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.997 -1.720 -7.345 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.604 -0.319 -7.816 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.699 0.676 -6.671 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.200 -0.328 -8.402 1.00 0.00 C ATOM 0 H LEU A 64 -4.036 -3.925 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.453 -1.479 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.296 -2.031 -6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.876 -2.410 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.300 -0.011 -8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.416 1.667 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.722 0.703 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.027 0.372 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.937 0.677 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.491 -0.658 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.165 -1.010 -9.252 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.617 -1.538 -8.879 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.530 -0.868 -9.799 1.00 0.00 C ATOM 1025 C ASP A 65 -7.892 -0.649 -9.148 1.00 0.00 C ATOM 1026 O ASP A 65 -8.513 0.400 -9.321 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.689 -1.686 -11.081 1.00 0.00 C ATOM 1028 CG ASP A 65 -7.003 -0.821 -12.285 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -6.583 0.355 -12.296 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -7.671 -1.319 -13.216 1.00 0.00 O ATOM 0 H ASP A 65 -5.180 -2.379 -9.256 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.106 0.104 -10.049 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.772 -2.245 -11.268 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.486 -2.417 -10.945 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.352 -1.646 -8.400 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.641 -1.563 -7.723 1.00 0.00 C ATOM 1037 C LYS A 66 -9.576 -0.594 -6.547 1.00 0.00 C ATOM 1038 O LYS A 66 -10.587 -0.010 -6.156 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.072 -2.948 -7.233 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.891 -3.724 -8.250 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.692 -4.834 -7.590 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.998 -4.311 -7.011 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.718 -5.357 -6.233 1.00 0.00 N ATOM 0 H LYS A 66 -7.851 -2.521 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.376 -1.191 -8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.184 -3.526 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.655 -2.836 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.568 -3.045 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.228 -4.150 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.904 -5.615 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.099 -5.291 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.793 -3.456 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.637 -3.955 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.602 -4.961 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.936 -6.163 -6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.119 -5.679 -5.446 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.382 -0.427 -5.988 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.186 0.474 -4.859 1.00 0.00 C ATOM 1059 C ALA A 67 -8.040 1.917 -5.328 1.00 0.00 C ATOM 1060 O ALA A 67 -8.473 2.849 -4.650 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.967 0.052 -4.053 1.00 0.00 C ATOM 0 H ALA A 67 -7.536 -0.904 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.068 0.415 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.832 0.734 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.111 -0.961 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.082 0.081 -4.689 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.425 2.097 -6.493 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.221 3.427 -7.054 1.00 0.00 C ATOM 1069 C VAL A 68 -8.515 3.980 -7.641 1.00 0.00 C ATOM 1070 O VAL A 68 -8.815 5.165 -7.500 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.138 3.416 -8.148 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.979 4.800 -8.758 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.816 2.919 -7.583 1.00 0.00 C ATOM 0 H VAL A 68 -7.059 1.337 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.893 4.068 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.451 2.732 -8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.209 4.772 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.924 5.113 -9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.689 5.509 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.062 2.918 -8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.496 3.576 -6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.942 1.907 -7.199 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.278 3.113 -8.298 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.541 3.516 -8.907 1.00 0.00 C ATOM 1085 C GLU A 69 -11.573 3.864 -7.839 1.00 0.00 C ATOM 1086 O GLU A 69 -12.291 4.859 -7.954 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.078 2.400 -9.806 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.597 1.196 -9.038 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.197 0.140 -9.946 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.392 0.259 -10.287 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -11.470 -0.807 -10.315 1.00 0.00 O ATOM 0 H GLU A 69 -9.045 2.128 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.356 4.403 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.881 2.799 -10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.286 2.076 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.781 0.756 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.350 1.524 -8.321 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.643 3.039 -6.800 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.588 3.258 -5.711 1.00 0.00 C ATOM 1100 C LEU A 70 -12.243 4.527 -4.938 1.00 0.00 C ATOM 1101 O LEU A 70 -13.130 5.239 -4.464 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.592 2.057 -4.764 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.577 2.098 -3.622 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.084 2.975 -2.488 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.281 0.692 -3.120 1.00 0.00 C ATOM 0 H LEU A 70 -11.056 2.212 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.582 3.376 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.589 1.963 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.412 1.156 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.650 2.529 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.348 2.992 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.243 3.989 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.025 2.574 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.556 0.741 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.201 0.233 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.873 0.093 -3.934 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.950 4.807 -4.817 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.487 5.992 -4.104 1.00 0.00 C ATOM 1119 C LEU A 71 -11.008 7.264 -4.766 1.00 0.00 C ATOM 1120 O LEU A 71 -11.634 8.102 -4.117 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.958 6.018 -4.056 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.316 7.393 -3.866 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.726 7.994 -2.531 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.801 7.292 -3.965 1.00 0.00 C ATOM 0 H LEU A 71 -10.204 4.229 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.876 5.948 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.629 5.370 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.578 5.586 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.669 8.051 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.259 8.972 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.810 8.103 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.403 7.339 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.361 8.280 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.430 6.618 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.525 6.905 -4.946 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.747 7.400 -6.061 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.192 8.568 -6.813 1.00 0.00 C ATOM 1138 C ASP A 72 -12.692 8.785 -6.640 1.00 0.00 C ATOM 1139 O ASP A 72 -13.126 9.828 -6.150 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.855 8.405 -8.296 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.611 9.735 -8.983 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.430 10.658 -8.796 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.600 9.851 -9.708 1.00 0.00 O ATOM 0 H ASP A 72 -10.229 6.716 -6.613 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.669 9.442 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.969 7.779 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.672 7.885 -8.796 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.479 7.795 -7.047 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.931 7.879 -6.940 1.00 0.00 C ATOM 1150 C ARG A 73 -15.354 8.162 -5.501 1.00 0.00 C ATOM 1151 O ARG A 73 -16.285 8.929 -5.257 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.576 6.580 -7.427 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.396 5.414 -6.468 1.00 0.00 C ATOM 1154 CD ARG A 73 -16.089 4.161 -6.979 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.500 4.123 -6.601 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.418 3.424 -7.258 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -18.076 2.708 -8.321 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.681 3.440 -6.853 1.00 0.00 N ATOM 0 H ARG A 73 -13.136 6.925 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.270 8.702 -7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.641 6.750 -7.584 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.150 6.313 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.333 5.214 -6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.798 5.680 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.003 4.116 -8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.584 3.280 -6.583 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.796 4.663 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.106 2.693 -8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.783 2.172 -8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.948 3.990 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.385 2.903 -7.358 1.00 0.00 H new ATOM 1172 N SER A 74 -14.664 7.536 -4.553 1.00 0.00 N ATOM 1173 CA SER A 74 -14.971 7.716 -3.139 1.00 0.00 C ATOM 1174 C SER A 74 -14.741 9.163 -2.714 1.00 0.00 C ATOM 1175 O SER A 74 -13.683 9.738 -2.975 1.00 0.00 O ATOM 1176 CB SER A 74 -14.114 6.779 -2.286 1.00 0.00 C ATOM 1177 OG SER A 74 -14.557 5.438 -2.399 1.00 0.00 O ATOM 0 H SER A 74 -13.889 6.900 -4.739 1.00 0.00 H new ATOM 0 HA SER A 74 -16.023 7.473 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.072 6.849 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.155 7.092 -1.243 1.00 0.00 H new ATOM 0 HG SER A 74 -14.135 5.019 -3.178 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.738 9.746 -2.057 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.644 11.125 -1.594 1.00 0.00 C ATOM 1185 C ILE A 75 -15.049 11.195 -0.191 1.00 0.00 C ATOM 1186 O ILE A 75 -14.128 11.970 0.066 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.023 11.812 -1.589 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.629 11.797 -2.994 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.902 13.238 -1.073 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.127 12.005 -3.008 1.00 0.00 C ATOM 0 H ILE A 75 -16.620 9.285 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.989 11.648 -2.291 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.686 11.260 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.157 12.576 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.398 10.844 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.884 13.710 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.508 13.225 -0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.227 13.802 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -19.488 11.983 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.610 11.212 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.364 12.970 -2.561 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.581 10.378 0.713 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.101 10.346 2.090 1.00 0.00 C ATOM 1204 C HIS A 76 -13.594 10.109 2.134 1.00 0.00 C ATOM 1205 O HIS A 76 -12.875 10.765 2.887 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.824 9.254 2.878 1.00 0.00 C ATOM 1207 CG HIS A 76 -15.935 7.955 2.140 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -16.745 7.583 1.121 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.153 6.857 2.428 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.439 6.280 0.814 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.475 5.865 1.617 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.344 9.730 0.517 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.312 11.313 2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.296 9.085 3.817 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.824 9.604 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.395 6.814 3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.910 5.690 0.042 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.052 4.937 1.612 1.00 0.00 H new ATOM 1220 N MET A 77 -13.124 9.166 1.323 1.00 0.00 N ATOM 1221 CA MET A 77 -11.703 8.844 1.270 1.00 0.00 C ATOM 1222 C MET A 77 -10.967 9.785 0.322 1.00 0.00 C ATOM 1223 O MET A 77 -11.177 9.751 -0.890 1.00 0.00 O ATOM 1224 CB MET A 77 -11.504 7.394 0.825 1.00 0.00 C ATOM 1225 CG MET A 77 -10.069 6.909 0.959 1.00 0.00 C ATOM 1226 SD MET A 77 -9.945 5.110 1.000 1.00 0.00 S ATOM 1227 CE MET A 77 -9.264 4.781 -0.624 1.00 0.00 C ATOM 0 H MET A 77 -13.706 8.612 0.694 1.00 0.00 H new ATOM 0 HA MET A 77 -11.290 8.970 2.271 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.154 6.749 1.416 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.817 7.295 -0.214 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.481 7.291 0.124 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.634 7.320 1.870 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.997 3.727 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.006 5.023 -1.385 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.375 5.393 -0.776 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.103 10.625 0.882 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.334 11.575 0.087 1.00 0.00 C ATOM 1239 C LYS A 78 -8.137 10.894 -0.568 1.00 0.00 C ATOM 1240 O LYS A 78 -7.874 11.087 -1.755 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.857 12.736 0.963 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.974 13.669 1.397 1.00 0.00 C ATOM 1243 CD LYS A 78 -10.235 14.747 0.359 1.00 0.00 C ATOM 1244 CE LYS A 78 -11.252 14.290 -0.676 1.00 0.00 C ATOM 1245 NZ LYS A 78 -11.912 15.441 -1.351 1.00 0.00 N ATOM 0 H LYS A 78 -9.918 10.667 1.884 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.983 11.962 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.366 12.334 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.108 13.309 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.885 13.094 1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.712 14.134 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.597 15.649 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.301 15.009 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.757 13.667 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.008 13.670 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.598 15.088 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.406 16.022 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.194 16.019 -1.833 1.00 0.00 H new ATOM 1259 N SER A 79 -7.416 10.095 0.212 1.00 0.00 N ATOM 1260 CA SER A 79 -6.246 9.386 -0.292 1.00 0.00 C ATOM 1261 C SER A 79 -6.361 7.889 -0.026 1.00 0.00 C ATOM 1262 O SER A 79 -7.327 7.427 0.583 1.00 0.00 O ATOM 1263 CB SER A 79 -4.973 9.935 0.356 1.00 0.00 C ATOM 1264 OG SER A 79 -4.982 9.722 1.757 1.00 0.00 O ATOM 0 H SER A 79 -7.622 9.922 1.196 1.00 0.00 H new ATOM 0 HA SER A 79 -6.193 9.542 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.100 9.452 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.886 11.001 0.148 1.00 0.00 H new ATOM 0 HG SER A 79 -4.158 10.080 2.148 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.370 7.134 -0.487 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.358 5.688 -0.300 1.00 0.00 C ATOM 1272 C LEU A 80 -4.509 5.302 0.907 1.00 0.00 C ATOM 1273 O LEU A 80 -3.285 5.205 0.814 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.824 4.996 -1.555 1.00 0.00 C ATOM 1275 CG LEU A 80 -5.024 3.481 -1.623 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.470 3.147 -1.953 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.084 2.865 -2.649 1.00 0.00 C ATOM 0 H LEU A 80 -4.564 7.500 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.382 5.361 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.303 5.445 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.757 5.205 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.790 3.059 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.593 2.065 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.123 3.555 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.733 3.581 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.240 1.787 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.286 3.293 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.052 3.073 -2.368 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.167 5.080 2.040 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.474 4.701 3.266 1.00 0.00 C ATOM 1291 C LYS A 81 -3.794 3.344 3.109 1.00 0.00 C ATOM 1292 O LYS A 81 -4.435 2.357 2.748 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.457 4.658 4.438 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.800 4.342 5.771 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.680 4.755 6.938 1.00 0.00 C ATOM 1296 CE LYS A 81 -4.926 4.682 8.258 1.00 0.00 C ATOM 1297 NZ LYS A 81 -5.656 5.381 9.352 1.00 0.00 N ATOM 0 H LYS A 81 -6.180 5.156 2.135 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.708 5.450 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.964 5.620 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.222 3.909 4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.592 3.274 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.842 4.857 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.042 5.771 6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.556 4.108 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.773 3.638 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.939 5.128 8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.111 5.309 10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.780 6.383 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.588 4.940 9.484 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.494 3.304 3.383 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.729 2.069 3.274 1.00 0.00 C ATOM 1313 C ILE A 82 -1.080 1.706 4.606 1.00 0.00 C ATOM 1314 O ILE A 82 -0.652 2.581 5.360 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.636 2.177 2.195 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.234 2.684 0.881 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.041 0.829 1.990 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.278 1.760 0.296 1.00 0.00 C ATOM 0 H ILE A 82 -1.949 4.113 3.682 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.432 1.286 2.989 1.00 0.00 H new ATOM 0 HB ILE A 82 0.115 2.892 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.681 3.664 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.432 2.819 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.811 0.921 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.497 0.505 2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.699 0.094 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.658 2.183 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.831 0.786 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.099 1.644 1.004 1.00 0.00 H new ATOM 1330 N LEU A 83 -1.007 0.410 4.888 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.407 -0.071 6.128 1.00 0.00 C ATOM 1332 C LEU A 83 0.716 -1.062 5.841 1.00 0.00 C ATOM 1333 O LEU A 83 0.466 -2.213 5.480 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.470 -0.728 7.010 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.495 0.215 7.642 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.840 1.075 8.712 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.144 1.087 6.578 1.00 0.00 C ATOM 0 H LEU A 83 -1.356 -0.327 4.275 1.00 0.00 H new ATOM 0 HA LEU A 83 0.015 0.785 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.005 -1.465 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.965 -1.272 7.809 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.272 -0.387 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.584 1.740 9.151 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.423 0.434 9.489 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.043 1.668 8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.870 1.752 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.379 1.680 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.648 0.455 5.847 1.00 0.00 H new ATOM 1349 N LEU A 84 1.954 -0.609 6.007 1.00 0.00 N ATOM 1350 CA LEU A 84 3.117 -1.457 5.768 1.00 0.00 C ATOM 1351 C LEU A 84 3.300 -2.462 6.901 1.00 0.00 C ATOM 1352 O LEU A 84 3.263 -2.101 8.078 1.00 0.00 O ATOM 1353 CB LEU A 84 4.376 -0.600 5.623 1.00 0.00 C ATOM 1354 CG LEU A 84 4.330 0.483 4.545 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.571 1.359 4.615 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.193 -0.143 3.165 1.00 0.00 C ATOM 0 H LEU A 84 2.178 0.340 6.306 1.00 0.00 H new ATOM 0 HA LEU A 84 2.951 -2.007 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.578 -0.122 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.218 -1.259 5.412 1.00 0.00 H new ATOM 0 HG LEU A 84 3.457 1.111 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.521 2.124 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.625 1.836 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.459 0.745 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.162 0.643 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.046 -0.795 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.273 -0.726 3.120 1.00 0.00 H new ATOM 1368 N VAL A 85 3.499 -3.725 6.538 1.00 0.00 N ATOM 1369 CA VAL A 85 3.692 -4.782 7.524 1.00 0.00 C ATOM 1370 C VAL A 85 4.958 -5.580 7.234 1.00 0.00 C ATOM 1371 O VAL A 85 5.111 -6.151 6.154 1.00 0.00 O ATOM 1372 CB VAL A 85 2.489 -5.744 7.557 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.730 -6.867 8.555 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.212 -4.988 7.890 1.00 0.00 C ATOM 0 H VAL A 85 3.531 -4.041 5.569 1.00 0.00 H new ATOM 0 HA VAL A 85 3.787 -4.296 8.495 1.00 0.00 H new ATOM 0 HB VAL A 85 2.374 -6.188 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.870 -7.536 8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.621 -7.425 8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.872 -6.445 9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.372 -5.683 7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.314 -4.515 8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.034 -4.224 7.133 1.00 0.00 H new ATOM 1384 N ILE A 86 5.864 -5.615 8.205 1.00 0.00 N ATOM 1385 CA ILE A 86 7.117 -6.344 8.055 1.00 0.00 C ATOM 1386 C ILE A 86 6.865 -7.792 7.652 1.00 0.00 C ATOM 1387 O ILE A 86 5.975 -8.451 8.189 1.00 0.00 O ATOM 1388 CB ILE A 86 7.942 -6.320 9.356 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.157 -4.879 9.823 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.276 -7.020 9.149 1.00 0.00 C ATOM 1391 CD1 ILE A 86 8.835 -4.004 8.791 1.00 0.00 C ATOM 0 H ILE A 86 5.754 -5.147 9.104 1.00 0.00 H new ATOM 0 HA ILE A 86 7.681 -5.844 7.268 1.00 0.00 H new ATOM 0 HB ILE A 86 7.390 -6.854 10.129 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.193 -4.442 10.081 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.758 -4.886 10.733 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.848 -6.995 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.102 -8.056 8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.836 -6.512 8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.955 -2.997 9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.814 -4.418 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.225 -3.966 7.889 1.00 0.00 H new