USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 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 Set 1.1: A 72 LYS NZ :NH3+ 158:sc= 1.61 (180deg=1.54) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.232! C(o=0.54!,f=-6.9!) USER MOD Set 1.3: A 93 GLN : amide:sc= -0.831 K(o=0.54,f=-3.3) USER MOD Set 1.4: A 96 GLN : amide:sc=-0.00341 K(o=0.54,f=-4!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.213 F(o=-1.9!,f=-0.21) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 21 THR OG1 : rot -61:sc= 0.0816! USER MOD Single : A 25 SER OG : rot -65:sc= 0.608 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=-0.17) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -1.7 (180deg=-2.47) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.43! C(o=-9.9!,f=-6.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.54) USER MOD Single : A 51 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 55 GLN : amide:sc= -7.92! C(o=-7.9!,f=-7.6!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.284 USER MOD Single : A 82 SER OG : rot 63:sc= -5.34! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0567 USER MOD Single : A 89 GLN :FLIP amide:sc= -1.82 F(o=-3.4!,f=-1.8) USER MOD Single : A 92 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -3.836 -4.550 16.455 1.00 0.00 N ATOM 133 CA GLN A 11 -2.709 -3.676 16.154 1.00 0.00 C ATOM 134 C GLN A 11 -2.848 -3.093 14.750 1.00 0.00 C ATOM 135 O GLN A 11 -3.375 -3.743 13.848 1.00 0.00 O ATOM 136 CB GLN A 11 -1.393 -4.455 16.249 1.00 0.00 C ATOM 137 CG GLN A 11 -1.347 -5.237 17.561 1.00 0.00 C ATOM 138 CD GLN A 11 0.064 -5.199 18.142 1.00 0.00 C ATOM 139 OE1 GLN A 11 1.063 -4.850 17.380 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 0.259 -5.497 19.321 1.00 0.00 N flip ATOM 0 HA GLN A 11 -2.703 -2.865 16.882 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.303 -5.138 15.405 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.549 -3.768 16.195 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.054 -4.811 18.273 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.651 -6.270 17.389 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.525 -5.770 19.914 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.204 -5.471 19.704 1.00 0.00 H new ATOM 149 N PRO A 12 -2.384 -1.889 14.555 1.00 0.00 N ATOM 150 CA PRO A 12 -2.455 -1.210 13.235 1.00 0.00 C ATOM 151 C PRO A 12 -1.926 -2.097 12.113 1.00 0.00 C ATOM 152 O PRO A 12 -1.181 -3.046 12.357 1.00 0.00 O ATOM 153 CB PRO A 12 -1.579 0.042 13.385 1.00 0.00 C ATOM 154 CG PRO A 12 -1.025 0.036 14.777 1.00 0.00 C ATOM 155 CD PRO A 12 -1.751 -1.048 15.572 1.00 0.00 C ATOM 0 HA PRO A 12 -3.485 -0.972 12.968 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.773 0.037 12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.165 0.944 13.209 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.047 -0.159 14.759 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.164 1.010 15.246 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.057 -1.622 16.185 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.491 -0.617 16.247 1.00 0.00 H new ATOM 163 N LEU A 13 -2.312 -1.779 10.884 1.00 0.00 N ATOM 164 CA LEU A 13 -1.868 -2.549 9.734 1.00 0.00 C ATOM 165 C LEU A 13 -0.461 -2.125 9.347 1.00 0.00 C ATOM 166 O LEU A 13 -0.167 -0.933 9.264 1.00 0.00 O ATOM 167 CB LEU A 13 -2.816 -2.309 8.560 1.00 0.00 C ATOM 168 CG LEU A 13 -2.576 -3.345 7.464 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.694 -3.228 6.433 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.234 -3.081 6.782 1.00 0.00 C ATOM 0 H LEU A 13 -2.928 -0.997 10.661 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.868 -3.609 9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.850 -2.364 8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.665 -1.306 8.161 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.563 -4.344 7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.538 -3.962 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.654 -3.413 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.690 -2.226 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.070 -3.824 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.241 -2.085 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.433 -3.145 7.518 1.00 0.00 H new ATOM 182 N LEU A 14 0.411 -3.099 9.110 1.00 0.00 N ATOM 183 CA LEU A 14 1.772 -2.792 8.734 1.00 0.00 C ATOM 184 C LEU A 14 1.907 -2.801 7.218 1.00 0.00 C ATOM 185 O LEU A 14 1.795 -3.843 6.572 1.00 0.00 O ATOM 186 CB LEU A 14 2.707 -3.813 9.374 1.00 0.00 C ATOM 187 CG LEU A 14 2.501 -3.796 10.891 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.596 -4.620 11.571 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.554 -2.352 11.400 1.00 0.00 C ATOM 0 H LEU A 14 0.197 -4.094 9.172 1.00 0.00 H new ATOM 0 HA LEU A 14 2.041 -1.797 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.505 -4.808 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.743 -3.578 9.132 1.00 0.00 H new ATOM 0 HG LEU A 14 1.528 -4.228 11.126 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.445 -4.605 12.650 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.553 -5.649 11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.571 -4.194 11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.407 -2.341 12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.525 -1.918 11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.768 -1.768 10.921 1.00 0.00 H new ATOM 201 N LEU A 15 2.121 -1.615 6.665 1.00 0.00 N ATOM 202 CA LEU A 15 2.243 -1.449 5.225 1.00 0.00 C ATOM 203 C LEU A 15 3.522 -0.681 4.898 1.00 0.00 C ATOM 204 O LEU A 15 3.822 0.329 5.532 1.00 0.00 O ATOM 205 CB LEU A 15 1.008 -0.680 4.728 1.00 0.00 C ATOM 206 CG LEU A 15 0.847 -0.811 3.214 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.024 -0.136 2.515 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.783 -2.294 2.832 1.00 0.00 C ATOM 0 H LEU A 15 2.214 -0.749 7.196 1.00 0.00 H new ATOM 0 HA LEU A 15 2.297 -2.419 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.116 -1.060 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.099 0.372 4.997 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.077 -0.325 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.908 -0.230 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.052 0.919 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.953 -0.615 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.668 -2.387 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.702 -2.790 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.067 -2.761 3.329 1.00 0.00 H new ATOM 220 N GLN A 16 4.280 -1.159 3.913 1.00 0.00 N ATOM 221 CA GLN A 16 5.520 -0.486 3.542 1.00 0.00 C ATOM 222 C GLN A 16 5.613 -0.274 2.038 1.00 0.00 C ATOM 223 O GLN A 16 5.002 -1.001 1.254 1.00 0.00 O ATOM 224 CB GLN A 16 6.724 -1.291 4.028 1.00 0.00 C ATOM 225 CG GLN A 16 6.886 -1.084 5.532 1.00 0.00 C ATOM 226 CD GLN A 16 7.988 -1.988 6.074 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.469 -2.874 5.368 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.418 -1.816 7.295 1.00 0.00 N ATOM 0 H GLN A 16 4.062 -1.993 3.368 1.00 0.00 H new ATOM 0 HA GLN A 16 5.521 0.493 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.584 -2.349 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.626 -0.973 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.127 -0.041 5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.946 -1.301 6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.018 -1.081 7.878 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.154 -2.417 7.666 1.00 0.00 H new ATOM 237 N LEU A 17 6.383 0.737 1.648 1.00 0.00 N ATOM 238 CA LEU A 17 6.557 1.056 0.239 1.00 0.00 C ATOM 239 C LEU A 17 8.031 1.273 -0.083 1.00 0.00 C ATOM 240 O LEU A 17 8.729 2.003 0.619 1.00 0.00 O ATOM 241 CB LEU A 17 5.767 2.318 -0.108 1.00 0.00 C ATOM 242 CG LEU A 17 5.817 2.553 -1.619 1.00 0.00 C ATOM 243 CD1 LEU A 17 4.825 1.622 -2.319 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.447 4.009 -1.917 1.00 0.00 C ATOM 0 H LEU A 17 6.894 1.346 2.287 1.00 0.00 H new ATOM 0 HA LEU A 17 6.187 0.219 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.733 2.214 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.184 3.177 0.418 1.00 0.00 H new ATOM 0 HG LEU A 17 6.823 2.347 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.863 1.792 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.086 0.585 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.818 1.824 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.482 4.180 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.441 4.211 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.155 4.673 -1.421 1.00 0.00 H new ATOM 256 N PHE A 18 8.494 0.641 -1.155 1.00 0.00 N ATOM 257 CA PHE A 18 9.885 0.780 -1.568 1.00 0.00 C ATOM 258 C PHE A 18 9.999 1.812 -2.684 1.00 0.00 C ATOM 259 O PHE A 18 9.356 1.683 -3.725 1.00 0.00 O ATOM 260 CB PHE A 18 10.417 -0.566 -2.064 1.00 0.00 C ATOM 261 CG PHE A 18 10.565 -1.515 -0.900 1.00 0.00 C ATOM 262 CD1 PHE A 18 11.772 -1.565 -0.197 1.00 0.00 C ATOM 263 CD2 PHE A 18 9.502 -2.346 -0.527 1.00 0.00 C ATOM 264 CE1 PHE A 18 11.922 -2.442 0.878 1.00 0.00 C ATOM 265 CE2 PHE A 18 9.651 -3.228 0.552 1.00 0.00 C ATOM 266 CZ PHE A 18 10.862 -3.276 1.255 1.00 0.00 C ATOM 0 H PHE A 18 7.932 0.032 -1.750 1.00 0.00 H new ATOM 0 HA PHE A 18 10.474 1.110 -0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.736 -0.987 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.379 -0.428 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.591 -0.923 -0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.569 -2.308 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.856 -2.478 1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.833 -3.870 0.841 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.978 -3.955 2.087 1.00 0.00 H new ATOM 276 N VAL A 19 10.814 2.840 -2.464 1.00 0.00 N ATOM 277 CA VAL A 19 10.977 3.880 -3.475 1.00 0.00 C ATOM 278 C VAL A 19 12.448 4.218 -3.700 1.00 0.00 C ATOM 279 O VAL A 19 13.280 4.070 -2.802 1.00 0.00 O ATOM 280 CB VAL A 19 10.227 5.141 -3.043 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.803 4.770 -2.624 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.953 5.786 -1.860 1.00 0.00 C ATOM 0 H VAL A 19 11.361 2.975 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 19 10.567 3.503 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 19 10.190 5.844 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.269 5.669 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.285 4.310 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.840 4.067 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.419 6.685 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.990 5.082 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.968 6.051 -2.156 1.00 0.00 H new ATOM 292 N ASP A 20 12.753 4.689 -4.907 1.00 0.00 N ATOM 293 CA ASP A 20 14.117 5.071 -5.254 1.00 0.00 C ATOM 294 C ASP A 20 14.275 6.589 -5.176 1.00 0.00 C ATOM 295 O ASP A 20 15.179 7.161 -5.783 1.00 0.00 O ATOM 296 CB ASP A 20 14.473 4.572 -6.657 1.00 0.00 C ATOM 297 CG ASP A 20 13.404 4.994 -7.656 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.245 4.708 -7.408 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.763 5.590 -8.658 1.00 0.00 O ATOM 0 H ASP A 20 12.075 4.815 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 20 14.799 4.610 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.441 4.973 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.566 3.486 -6.651 1.00 0.00 H new ATOM 304 N THR A 21 13.382 7.224 -4.417 1.00 0.00 N ATOM 305 CA THR A 21 13.404 8.676 -4.235 1.00 0.00 C ATOM 306 C THR A 21 12.941 9.418 -5.490 1.00 0.00 C ATOM 307 O THR A 21 12.956 10.650 -5.525 1.00 0.00 O ATOM 308 CB THR A 21 14.812 9.150 -3.852 1.00 0.00 C ATOM 309 OG1 THR A 21 15.644 9.154 -5.002 1.00 0.00 O ATOM 310 CG2 THR A 21 15.407 8.224 -2.785 1.00 0.00 C ATOM 0 H THR A 21 12.630 6.752 -3.915 1.00 0.00 H new ATOM 0 HA THR A 21 12.708 8.906 -3.428 1.00 0.00 H new ATOM 0 HB THR A 21 14.749 10.160 -3.448 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.712 8.244 -5.360 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.406 8.569 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.772 8.235 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.466 7.208 -3.176 1.00 0.00 H new ATOM 318 N ARG A 22 12.516 8.681 -6.512 1.00 0.00 N ATOM 319 CA ARG A 22 12.037 9.313 -7.739 1.00 0.00 C ATOM 320 C ARG A 22 10.663 9.941 -7.497 1.00 0.00 C ATOM 321 O ARG A 22 9.855 9.404 -6.740 1.00 0.00 O ATOM 322 CB ARG A 22 11.952 8.285 -8.870 1.00 0.00 C ATOM 323 CG ARG A 22 10.990 7.169 -8.471 1.00 0.00 C ATOM 324 CD ARG A 22 10.904 6.136 -9.595 1.00 0.00 C ATOM 325 NE ARG A 22 10.366 6.750 -10.804 1.00 0.00 N ATOM 326 CZ ARG A 22 10.529 6.182 -11.994 1.00 0.00 C ATOM 327 NH1 ARG A 22 9.928 5.057 -12.268 1.00 0.00 N ATOM 328 NH2 ARG A 22 11.289 6.748 -12.891 1.00 0.00 N ATOM 0 H ARG A 22 12.493 7.661 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 22 12.740 10.093 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.609 8.765 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.940 7.872 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.331 6.693 -7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.002 7.583 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.893 5.724 -9.797 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.269 5.305 -9.287 1.00 0.00 H new ATOM 0 HE ARG A 22 9.856 7.631 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.333 4.613 -11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.053 4.621 -13.182 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.759 7.628 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.413 6.310 -13.804 1.00 0.00 H new ATOM 342 N PRO A 23 10.393 11.069 -8.104 1.00 0.00 N ATOM 343 CA PRO A 23 9.096 11.781 -7.925 1.00 0.00 C ATOM 344 C PRO A 23 7.897 10.874 -8.177 1.00 0.00 C ATOM 345 O PRO A 23 6.892 10.952 -7.472 1.00 0.00 O ATOM 346 CB PRO A 23 9.117 12.913 -8.957 1.00 0.00 C ATOM 347 CG PRO A 23 10.400 12.805 -9.717 1.00 0.00 C ATOM 348 CD PRO A 23 11.293 11.781 -9.014 1.00 0.00 C ATOM 0 HA PRO A 23 8.992 12.138 -6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.264 12.833 -9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.044 13.882 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.207 12.498 -10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.897 13.774 -9.762 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.754 11.100 -9.729 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.103 12.268 -8.470 1.00 0.00 H new ATOM 356 N LEU A 24 8.003 10.021 -9.192 1.00 0.00 N ATOM 357 CA LEU A 24 6.911 9.114 -9.528 1.00 0.00 C ATOM 358 C LEU A 24 6.502 8.296 -8.305 1.00 0.00 C ATOM 359 O LEU A 24 5.315 8.125 -8.033 1.00 0.00 O ATOM 360 CB LEU A 24 7.346 8.173 -10.649 1.00 0.00 C ATOM 361 CG LEU A 24 6.173 7.278 -11.048 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.198 8.066 -11.925 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.700 6.072 -11.825 1.00 0.00 C ATOM 0 H LEU A 24 8.825 9.939 -9.790 1.00 0.00 H new ATOM 0 HA LEU A 24 6.057 9.705 -9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.687 8.749 -11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.187 7.563 -10.320 1.00 0.00 H new ATOM 0 HG LEU A 24 5.654 6.938 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.363 7.425 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.823 8.926 -11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.712 8.409 -12.823 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.866 5.431 -12.111 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.219 6.414 -12.720 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.392 5.509 -11.198 1.00 0.00 H new ATOM 375 N SER A 25 7.493 7.808 -7.564 1.00 0.00 N ATOM 376 CA SER A 25 7.217 7.026 -6.366 1.00 0.00 C ATOM 377 C SER A 25 6.533 7.911 -5.338 1.00 0.00 C ATOM 378 O SER A 25 5.553 7.513 -4.709 1.00 0.00 O ATOM 379 CB SER A 25 8.517 6.468 -5.788 1.00 0.00 C ATOM 380 OG SER A 25 9.303 7.538 -5.279 1.00 0.00 O ATOM 0 H SER A 25 8.483 7.939 -7.770 1.00 0.00 H new ATOM 0 HA SER A 25 6.564 6.192 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.298 5.753 -4.995 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.070 5.930 -6.558 1.00 0.00 H new ATOM 0 HG SER A 25 9.574 8.124 -6.016 1.00 0.00 H new ATOM 386 N GLN A 26 7.031 9.136 -5.209 1.00 0.00 N ATOM 387 CA GLN A 26 6.432 10.094 -4.295 1.00 0.00 C ATOM 388 C GLN A 26 5.030 10.393 -4.797 1.00 0.00 C ATOM 389 O GLN A 26 4.097 10.608 -4.024 1.00 0.00 O ATOM 390 CB GLN A 26 7.265 11.378 -4.264 1.00 0.00 C ATOM 391 CG GLN A 26 8.662 11.065 -3.723 1.00 0.00 C ATOM 392 CD GLN A 26 9.532 12.316 -3.764 1.00 0.00 C ATOM 393 OE1 GLN A 26 9.147 13.321 -4.363 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.689 12.314 -3.163 1.00 0.00 N ATOM 0 H GLN A 26 7.841 9.484 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 26 6.396 9.689 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.337 11.802 -5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.779 12.125 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.590 10.696 -2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.121 10.274 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.005 11.480 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.278 13.146 -3.188 1.00 0.00 H new ATOM 403 N HIS A 27 4.911 10.374 -6.118 1.00 0.00 N ATOM 404 CA HIS A 27 3.646 10.611 -6.793 1.00 0.00 C ATOM 405 C HIS A 27 2.684 9.478 -6.450 1.00 0.00 C ATOM 406 O HIS A 27 1.573 9.697 -5.957 1.00 0.00 O ATOM 407 CB HIS A 27 3.917 10.614 -8.296 1.00 0.00 C ATOM 408 CG HIS A 27 3.001 11.561 -9.006 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.712 11.827 -8.577 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.193 12.321 -10.129 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.180 12.721 -9.433 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.042 13.055 -10.399 1.00 0.00 N ATOM 0 H HIS A 27 5.691 10.194 -6.750 1.00 0.00 H new ATOM 0 HA HIS A 27 3.208 11.560 -6.484 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.953 10.897 -8.481 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.785 9.608 -8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.099 12.347 -10.716 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.180 13.119 -9.349 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.889 13.707 -11.168 1.00 0.00 H new ATOM 420 N ILE A 28 3.147 8.255 -6.698 1.00 0.00 N ATOM 421 CA ILE A 28 2.360 7.070 -6.403 1.00 0.00 C ATOM 422 C ILE A 28 2.116 6.973 -4.907 1.00 0.00 C ATOM 423 O ILE A 28 1.064 6.509 -4.466 1.00 0.00 O ATOM 424 CB ILE A 28 3.094 5.818 -6.886 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.227 5.861 -8.409 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.305 4.574 -6.475 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.063 4.669 -8.883 1.00 0.00 C ATOM 0 H ILE A 28 4.064 8.063 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 28 1.404 7.144 -6.921 1.00 0.00 H new ATOM 0 HB ILE A 28 4.086 5.782 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.240 5.834 -8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.698 6.794 -8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.828 3.682 -6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.212 4.544 -5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.312 4.608 -6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.158 4.700 -9.968 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.054 4.717 -8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.574 3.741 -8.588 1.00 0.00 H new ATOM 439 N VAL A 29 3.095 7.420 -4.127 1.00 0.00 N ATOM 440 CA VAL A 29 2.966 7.382 -2.683 1.00 0.00 C ATOM 441 C VAL A 29 1.714 8.131 -2.263 1.00 0.00 C ATOM 442 O VAL A 29 0.946 7.655 -1.428 1.00 0.00 O ATOM 443 CB VAL A 29 4.197 8.002 -2.020 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.923 8.189 -0.528 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.395 7.067 -2.202 1.00 0.00 C ATOM 0 H VAL A 29 3.974 7.807 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 29 2.888 6.343 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 29 4.414 8.967 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.797 8.631 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.065 8.848 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.711 7.222 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.274 7.506 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.178 6.104 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.587 6.924 -3.265 1.00 0.00 H new ATOM 455 N GLN A 30 1.494 9.294 -2.867 1.00 0.00 N ATOM 456 CA GLN A 30 0.304 10.068 -2.554 1.00 0.00 C ATOM 457 C GLN A 30 -0.920 9.240 -2.878 1.00 0.00 C ATOM 458 O GLN A 30 -1.881 9.201 -2.109 1.00 0.00 O ATOM 459 CB GLN A 30 0.270 11.365 -3.359 1.00 0.00 C ATOM 460 CG GLN A 30 1.366 12.296 -2.856 1.00 0.00 C ATOM 461 CD GLN A 30 0.826 13.716 -2.754 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.741 14.425 -3.757 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.449 14.171 -1.591 1.00 0.00 N ATOM 0 H GLN A 30 2.112 9.713 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 30 0.318 10.323 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.414 11.153 -4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.704 11.843 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.722 11.961 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.219 12.269 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.522 13.579 -0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.081 15.119 -1.509 1.00 0.00 H new ATOM 472 N ARG A 31 -0.868 8.552 -4.012 1.00 0.00 N ATOM 473 CA ARG A 31 -1.977 7.704 -4.403 1.00 0.00 C ATOM 474 C ARG A 31 -2.179 6.629 -3.348 1.00 0.00 C ATOM 475 O ARG A 31 -3.305 6.319 -2.964 1.00 0.00 O ATOM 476 CB ARG A 31 -1.708 7.067 -5.756 1.00 0.00 C ATOM 477 CG ARG A 31 -1.756 8.161 -6.816 1.00 0.00 C ATOM 478 CD ARG A 31 -1.615 7.536 -8.192 1.00 0.00 C ATOM 479 NE ARG A 31 -2.800 6.755 -8.529 1.00 0.00 N ATOM 480 CZ ARG A 31 -3.988 7.046 -8.010 1.00 0.00 C ATOM 481 NH1 ARG A 31 -4.496 8.238 -8.170 1.00 0.00 N ATOM 482 NH2 ARG A 31 -4.647 6.140 -7.340 1.00 0.00 N ATOM 0 H ARG A 31 -0.083 8.566 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.880 8.309 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.734 6.578 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.451 6.299 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.696 8.708 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.955 8.881 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.464 8.317 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.733 6.896 -8.217 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.715 5.971 -9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.981 8.946 -8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.408 8.461 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.250 5.209 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.559 6.363 -6.941 1.00 0.00 H new ATOM 496 N VAL A 32 -1.068 6.089 -2.856 1.00 0.00 N ATOM 497 CA VAL A 32 -1.124 5.076 -1.814 1.00 0.00 C ATOM 498 C VAL A 32 -1.688 5.693 -0.539 1.00 0.00 C ATOM 499 O VAL A 32 -2.615 5.160 0.068 1.00 0.00 O ATOM 500 CB VAL A 32 0.282 4.530 -1.548 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.253 3.573 -0.352 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.781 3.778 -2.785 1.00 0.00 C ATOM 0 H VAL A 32 -0.126 6.335 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.768 4.258 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 32 0.951 5.362 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.257 3.189 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.098 4.106 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.420 2.743 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.782 3.390 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.106 2.951 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.811 4.458 -3.637 1.00 0.00 H new ATOM 512 N LYS A 33 -1.120 6.831 -0.150 1.00 0.00 N ATOM 513 CA LYS A 33 -1.564 7.534 1.044 1.00 0.00 C ATOM 514 C LYS A 33 -3.015 7.978 0.905 1.00 0.00 C ATOM 515 O LYS A 33 -3.804 7.878 1.844 1.00 0.00 O ATOM 516 CB LYS A 33 -0.683 8.762 1.272 1.00 0.00 C ATOM 517 CG LYS A 33 0.741 8.316 1.616 1.00 0.00 C ATOM 518 CD LYS A 33 1.567 9.538 2.010 1.00 0.00 C ATOM 519 CE LYS A 33 3.015 9.123 2.279 1.00 0.00 C ATOM 520 NZ LYS A 33 3.938 10.132 1.686 1.00 0.00 N ATOM 0 H LYS A 33 -0.352 7.284 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.485 6.854 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.674 9.386 0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.090 9.369 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.722 7.596 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.195 7.815 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.535 10.282 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.142 10.004 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.188 9.042 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.209 8.140 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.889 9.720 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.589 10.413 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.982 10.968 2.303 1.00 0.00 H new ATOM 534 N ASN A 34 -3.349 8.488 -0.272 1.00 0.00 N ATOM 535 CA ASN A 34 -4.693 8.974 -0.541 1.00 0.00 C ATOM 536 C ASN A 34 -5.731 7.856 -0.460 1.00 0.00 C ATOM 537 O ASN A 34 -6.806 8.040 0.112 1.00 0.00 O ATOM 538 CB ASN A 34 -4.717 9.602 -1.933 1.00 0.00 C ATOM 539 CG ASN A 34 -3.769 10.801 -1.977 1.00 0.00 C ATOM 540 OD1 ASN A 34 -2.968 10.956 -2.998 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -3.751 11.611 -1.052 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.705 8.576 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.951 9.712 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.421 8.865 -2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.730 9.918 -2.182 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.376 11.489 -0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.111 12.404 -1.081 1.00 0.00 H new ATOM 548 N ILE A 35 -5.414 6.704 -1.038 1.00 0.00 N ATOM 549 CA ILE A 35 -6.344 5.575 -1.024 1.00 0.00 C ATOM 550 C ILE A 35 -6.539 5.024 0.385 1.00 0.00 C ATOM 551 O ILE A 35 -7.670 4.870 0.845 1.00 0.00 O ATOM 552 CB ILE A 35 -5.826 4.462 -1.927 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.849 4.929 -3.385 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.717 3.228 -1.774 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.085 3.931 -4.257 1.00 0.00 C ATOM 0 H ILE A 35 -4.532 6.525 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.305 5.937 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.803 4.213 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.878 5.017 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.399 5.918 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.348 2.431 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.700 2.893 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.739 3.480 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.103 4.266 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.052 3.865 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.555 2.950 -4.184 1.00 0.00 H new ATOM 567 N LEU A 36 -5.438 4.722 1.067 1.00 0.00 N ATOM 568 CA LEU A 36 -5.529 4.184 2.419 1.00 0.00 C ATOM 569 C LEU A 36 -6.238 5.176 3.328 1.00 0.00 C ATOM 570 O LEU A 36 -7.073 4.799 4.149 1.00 0.00 O ATOM 571 CB LEU A 36 -4.133 3.887 2.968 1.00 0.00 C ATOM 572 CG LEU A 36 -3.433 2.870 2.062 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.123 2.423 2.712 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.343 1.656 1.860 1.00 0.00 C ATOM 0 H LEU A 36 -4.488 4.838 0.713 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.100 3.256 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.549 4.806 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.205 3.496 3.983 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.220 3.330 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.625 1.699 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.475 3.287 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.334 1.963 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.845 0.932 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.556 1.196 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.276 1.974 1.396 1.00 0.00 H new ATOM 586 N ALA A 37 -5.914 6.449 3.159 1.00 0.00 N ATOM 587 CA ALA A 37 -6.541 7.494 3.951 1.00 0.00 C ATOM 588 C ALA A 37 -7.992 7.661 3.523 1.00 0.00 C ATOM 589 O ALA A 37 -8.775 8.337 4.191 1.00 0.00 O ATOM 590 CB ALA A 37 -5.790 8.814 3.767 1.00 0.00 C ATOM 0 H ALA A 37 -5.225 6.781 2.485 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.506 7.212 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.268 9.591 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.756 8.692 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.811 9.101 2.716 1.00 0.00 H new ATOM 596 N ALA A 38 -8.339 7.046 2.395 1.00 0.00 N ATOM 597 CA ALA A 38 -9.694 7.139 1.873 1.00 0.00 C ATOM 598 C ALA A 38 -10.578 6.048 2.459 1.00 0.00 C ATOM 599 O ALA A 38 -11.700 5.835 1.999 1.00 0.00 O ATOM 600 CB ALA A 38 -9.679 7.029 0.348 1.00 0.00 C ATOM 0 H ALA A 38 -7.703 6.482 1.830 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.103 8.108 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.698 7.100 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.079 7.838 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.249 6.071 0.057 1.00 0.00 H new ATOM 606 N VAL A 39 -10.072 5.355 3.469 1.00 0.00 N ATOM 607 CA VAL A 39 -10.841 4.286 4.091 1.00 0.00 C ATOM 608 C VAL A 39 -10.486 4.137 5.567 1.00 0.00 C ATOM 609 O VAL A 39 -11.332 3.763 6.379 1.00 0.00 O ATOM 610 CB VAL A 39 -10.588 2.965 3.362 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.247 2.379 3.808 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.708 1.979 3.694 1.00 0.00 C ATOM 0 H VAL A 39 -9.147 5.510 3.871 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.897 4.545 4.018 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.565 3.145 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.070 1.438 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.447 3.081 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.268 2.200 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.529 1.037 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.730 1.802 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.664 2.393 3.374 1.00 0.00 H new ATOM 622 N GLU A 40 -9.238 4.433 5.912 1.00 0.00 N ATOM 623 CA GLU A 40 -8.798 4.328 7.299 1.00 0.00 C ATOM 624 C GLU A 40 -9.469 3.144 7.987 1.00 0.00 C ATOM 625 O GLU A 40 -8.914 2.048 8.040 1.00 0.00 O ATOM 626 CB GLU A 40 -9.142 5.616 8.050 1.00 0.00 C ATOM 627 CG GLU A 40 -8.436 6.799 7.385 1.00 0.00 C ATOM 628 CD GLU A 40 -8.739 8.082 8.151 1.00 0.00 C ATOM 629 OE1 GLU A 40 -9.566 8.034 9.047 1.00 0.00 O ATOM 630 OE2 GLU A 40 -8.140 9.095 7.831 1.00 0.00 O ATOM 0 H GLU A 40 -8.519 4.744 5.259 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.719 4.175 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.220 5.774 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.835 5.535 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.360 6.625 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.766 6.896 6.351 1.00 0.00 H new ATOM 637 N ALA A 41 -10.671 3.374 8.509 1.00 0.00 N ATOM 638 CA ALA A 41 -11.411 2.319 9.191 1.00 0.00 C ATOM 639 C ALA A 41 -10.997 2.236 10.656 1.00 0.00 C ATOM 640 O ALA A 41 -10.211 3.052 11.136 1.00 0.00 O ATOM 641 CB ALA A 41 -11.154 0.975 8.506 1.00 0.00 C ATOM 0 H ALA A 41 -11.149 4.274 8.473 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.474 2.554 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.710 0.192 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.480 1.028 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.089 0.747 8.541 1.00 0.00 H new ATOM 647 N THR A 42 -11.531 1.245 11.362 1.00 0.00 N ATOM 648 CA THR A 42 -11.206 1.067 12.772 1.00 0.00 C ATOM 649 C THR A 42 -9.794 0.511 12.931 1.00 0.00 C ATOM 650 O THR A 42 -9.294 0.368 14.046 1.00 0.00 O ATOM 651 CB THR A 42 -12.206 0.108 13.422 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.072 -1.180 12.839 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.628 0.625 13.202 1.00 0.00 C ATOM 0 H THR A 42 -12.185 0.559 10.985 1.00 0.00 H new ATOM 0 HA THR A 42 -11.261 2.039 13.262 1.00 0.00 H new ATOM 0 HB THR A 42 -12.007 0.045 14.492 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.711 -1.796 13.256 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.339 -0.059 13.665 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.729 1.613 13.651 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.830 0.690 12.133 1.00 0.00 H new ATOM 661 N VAL A 43 -9.159 0.192 11.807 1.00 0.00 N ATOM 662 CA VAL A 43 -7.814 -0.354 11.829 1.00 0.00 C ATOM 663 C VAL A 43 -6.861 0.516 11.010 1.00 0.00 C ATOM 664 O VAL A 43 -6.446 0.126 9.918 1.00 0.00 O ATOM 665 CB VAL A 43 -7.835 -1.762 11.239 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.325 -2.756 12.294 1.00 0.00 C ATOM 667 CG2 VAL A 43 -8.778 -1.794 10.033 1.00 0.00 C ATOM 0 H VAL A 43 -9.556 0.303 10.874 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.465 -0.379 12.861 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.828 -2.037 10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.339 -3.760 11.869 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.655 -2.735 13.153 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.331 -2.483 12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.794 -2.799 9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.784 -1.517 10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.428 -1.089 9.279 1.00 0.00 H new ATOM 677 N PRO A 44 -6.498 1.677 11.503 1.00 0.00 N ATOM 678 CA PRO A 44 -5.571 2.586 10.776 1.00 0.00 C ATOM 679 C PRO A 44 -4.339 1.833 10.284 1.00 0.00 C ATOM 680 O PRO A 44 -3.873 0.897 10.935 1.00 0.00 O ATOM 681 CB PRO A 44 -5.181 3.659 11.802 1.00 0.00 C ATOM 682 CG PRO A 44 -5.890 3.331 13.081 1.00 0.00 C ATOM 683 CD PRO A 44 -6.929 2.248 12.785 1.00 0.00 C ATOM 0 HA PRO A 44 -6.037 3.017 9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.102 3.672 11.953 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.465 4.650 11.448 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.180 2.982 13.831 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.372 4.220 13.488 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.951 1.492 13.570 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.933 2.667 12.717 1.00 0.00 H new ATOM 691 N ILE A 45 -3.822 2.231 9.126 1.00 0.00 N ATOM 692 CA ILE A 45 -2.654 1.564 8.563 1.00 0.00 C ATOM 693 C ILE A 45 -1.393 2.392 8.768 1.00 0.00 C ATOM 694 O ILE A 45 -1.414 3.618 8.646 1.00 0.00 O ATOM 695 CB ILE A 45 -2.844 1.327 7.065 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.220 0.704 6.813 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.748 0.377 6.562 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.211 1.797 6.403 1.00 0.00 C ATOM 0 H ILE A 45 -4.187 3.001 8.566 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.545 0.611 9.080 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.778 2.276 6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.151 -0.051 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.572 0.199 7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.878 0.204 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.770 0.823 6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.817 -0.572 7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.190 1.352 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.289 2.536 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.861 2.282 5.492 1.00 0.00 H new ATOM 710 N SER A 46 -0.291 1.709 9.053 1.00 0.00 N ATOM 711 CA SER A 46 0.985 2.384 9.242 1.00 0.00 C ATOM 712 C SER A 46 1.818 2.230 7.976 1.00 0.00 C ATOM 713 O SER A 46 2.287 1.136 7.661 1.00 0.00 O ATOM 714 CB SER A 46 1.730 1.776 10.431 1.00 0.00 C ATOM 715 OG SER A 46 2.937 2.493 10.646 1.00 0.00 O ATOM 0 H SER A 46 -0.256 0.695 9.158 1.00 0.00 H new ATOM 0 HA SER A 46 0.812 3.441 9.443 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.106 1.815 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.947 0.725 10.240 1.00 0.00 H new ATOM 0 HG SER A 46 3.416 2.106 11.409 1.00 0.00 H new ATOM 721 N LEU A 47 1.983 3.323 7.240 1.00 0.00 N ATOM 722 CA LEU A 47 2.743 3.272 5.998 1.00 0.00 C ATOM 723 C LEU A 47 4.170 3.755 6.220 1.00 0.00 C ATOM 724 O LEU A 47 4.395 4.877 6.674 1.00 0.00 O ATOM 725 CB LEU A 47 2.066 4.148 4.940 1.00 0.00 C ATOM 726 CG LEU A 47 2.377 3.619 3.534 1.00 0.00 C ATOM 727 CD1 LEU A 47 1.990 4.672 2.495 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.871 3.309 3.405 1.00 0.00 C ATOM 0 H LEU A 47 1.607 4.241 7.477 1.00 0.00 H new ATOM 0 HA LEU A 47 2.773 2.238 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.988 4.159 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.413 5.177 5.034 1.00 0.00 H new ATOM 0 HG LEU A 47 1.806 2.706 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.211 4.296 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.924 4.887 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.558 5.585 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.080 2.934 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.448 4.217 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.151 2.554 4.140 1.00 0.00 H new ATOM 740 N GLN A 48 5.130 2.903 5.883 1.00 0.00 N ATOM 741 CA GLN A 48 6.533 3.248 6.031 1.00 0.00 C ATOM 742 C GLN A 48 7.257 3.050 4.704 1.00 0.00 C ATOM 743 O GLN A 48 7.122 2.009 4.062 1.00 0.00 O ATOM 744 CB GLN A 48 7.168 2.379 7.115 1.00 0.00 C ATOM 745 CG GLN A 48 7.102 3.105 8.460 1.00 0.00 C ATOM 746 CD GLN A 48 8.044 4.304 8.452 1.00 0.00 C ATOM 747 OE1 GLN A 48 9.218 4.168 8.108 1.00 0.00 O ATOM 748 NE2 GLN A 48 7.598 5.477 8.810 1.00 0.00 N ATOM 0 H GLN A 48 4.960 1.970 5.506 1.00 0.00 H new ATOM 0 HA GLN A 48 6.617 4.294 6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.648 1.424 7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.205 2.160 6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.082 3.435 8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.375 2.423 9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.625 5.587 9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.223 6.283 8.805 1.00 0.00 H new ATOM 757 N VAL A 49 8.015 4.057 4.293 1.00 0.00 N ATOM 758 CA VAL A 49 8.744 3.984 3.033 1.00 0.00 C ATOM 759 C VAL A 49 10.191 3.594 3.268 1.00 0.00 C ATOM 760 O VAL A 49 10.840 4.091 4.188 1.00 0.00 O ATOM 761 CB VAL A 49 8.706 5.331 2.309 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.322 5.175 0.916 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.256 5.803 2.178 1.00 0.00 C ATOM 0 H VAL A 49 8.141 4.928 4.808 1.00 0.00 H new ATOM 0 HA VAL A 49 8.261 3.225 2.418 1.00 0.00 H new ATOM 0 HB VAL A 49 9.274 6.067 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.296 6.133 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.355 4.841 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.753 4.439 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.231 6.763 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.685 5.070 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.818 5.913 3.170 1.00 0.00 H new ATOM 773 N ILE A 50 10.696 2.713 2.418 1.00 0.00 N ATOM 774 CA ILE A 50 12.072 2.275 2.529 1.00 0.00 C ATOM 775 C ILE A 50 12.846 2.733 1.302 1.00 0.00 C ATOM 776 O ILE A 50 12.446 2.466 0.170 1.00 0.00 O ATOM 777 CB ILE A 50 12.121 0.752 2.640 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.187 0.300 3.765 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.551 0.304 2.950 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.401 -1.190 4.043 1.00 0.00 C ATOM 0 H ILE A 50 10.175 2.291 1.649 1.00 0.00 H new ATOM 0 HA ILE A 50 12.523 2.708 3.422 1.00 0.00 H new ATOM 0 HB ILE A 50 11.803 0.307 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.381 0.880 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.149 0.483 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.583 -0.783 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.216 0.630 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.874 0.746 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.735 -1.510 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.185 -1.763 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.436 -1.360 4.342 1.00 0.00 H new ATOM 792 N ASN A 51 13.948 3.433 1.530 1.00 0.00 N ATOM 793 CA ASN A 51 14.754 3.929 0.430 1.00 0.00 C ATOM 794 C ASN A 51 15.699 2.837 -0.059 1.00 0.00 C ATOM 795 O ASN A 51 16.722 2.562 0.567 1.00 0.00 O ATOM 796 CB ASN A 51 15.563 5.140 0.890 1.00 0.00 C ATOM 797 CG ASN A 51 14.632 6.314 1.174 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.597 6.823 2.295 1.00 0.00 O ATOM 799 ND2 ASN A 51 13.876 6.779 0.218 1.00 0.00 N ATOM 0 H ASN A 51 14.300 3.667 2.458 1.00 0.00 H new ATOM 0 HA ASN A 51 14.096 4.223 -0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.129 4.890 1.787 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.286 5.417 0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.253 7.567 0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.908 6.355 -0.709 1.00 0.00 H new ATOM 806 N VAL A 52 15.347 2.212 -1.177 1.00 0.00 N ATOM 807 CA VAL A 52 16.167 1.141 -1.732 1.00 0.00 C ATOM 808 C VAL A 52 17.573 1.638 -2.043 1.00 0.00 C ATOM 809 O VAL A 52 18.508 0.847 -2.166 1.00 0.00 O ATOM 810 CB VAL A 52 15.518 0.597 -3.007 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.067 0.206 -2.711 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.545 1.678 -4.094 1.00 0.00 C ATOM 0 H VAL A 52 14.506 2.426 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 52 16.238 0.345 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 52 16.068 -0.279 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.602 -0.182 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.048 -0.561 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.517 1.082 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.083 1.292 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.994 2.553 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.577 1.958 -4.303 1.00 0.00 H new ATOM 822 N ALA A 53 17.718 2.952 -2.167 1.00 0.00 N ATOM 823 CA ALA A 53 19.012 3.541 -2.460 1.00 0.00 C ATOM 824 C ALA A 53 19.918 3.468 -1.239 1.00 0.00 C ATOM 825 O ALA A 53 21.141 3.411 -1.366 1.00 0.00 O ATOM 826 CB ALA A 53 18.841 5.002 -2.885 1.00 0.00 C ATOM 0 H ALA A 53 16.957 3.624 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 53 19.469 2.980 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.818 5.434 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.216 5.051 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.368 5.562 -2.079 1.00 0.00 H new ATOM 832 N ASP A 54 19.313 3.485 -0.053 1.00 0.00 N ATOM 833 CA ASP A 54 20.088 3.434 1.173 1.00 0.00 C ATOM 834 C ASP A 54 20.099 2.031 1.772 1.00 0.00 C ATOM 835 O ASP A 54 21.049 1.652 2.458 1.00 0.00 O ATOM 836 CB ASP A 54 19.516 4.419 2.194 1.00 0.00 C ATOM 837 CG ASP A 54 19.701 5.849 1.701 1.00 0.00 C ATOM 838 OD1 ASP A 54 20.450 6.037 0.755 1.00 0.00 O ATOM 839 OD2 ASP A 54 19.092 6.736 2.275 1.00 0.00 O ATOM 0 H ASP A 54 18.303 3.533 0.079 1.00 0.00 H new ATOM 0 HA ASP A 54 21.114 3.708 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.457 4.215 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 54 20.014 4.290 3.155 1.00 0.00 H new ATOM 844 N GLN A 55 19.036 1.269 1.531 1.00 0.00 N ATOM 845 CA GLN A 55 18.950 -0.079 2.082 1.00 0.00 C ATOM 846 C GLN A 55 18.387 -1.074 1.069 1.00 0.00 C ATOM 847 O GLN A 55 17.228 -1.468 1.149 1.00 0.00 O ATOM 848 CB GLN A 55 18.075 -0.058 3.337 1.00 0.00 C ATOM 849 CG GLN A 55 16.725 0.591 3.022 1.00 0.00 C ATOM 850 CD GLN A 55 15.986 0.909 4.318 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.055 0.140 5.277 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.282 2.004 4.404 1.00 0.00 N ATOM 0 H GLN A 55 18.235 1.555 0.968 1.00 0.00 H new ATOM 0 HA GLN A 55 19.958 -0.407 2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.923 -1.074 3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.577 0.494 4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.876 1.504 2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.125 -0.079 2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.227 2.639 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.787 2.225 5.268 1.00 0.00 H new ATOM 861 N PRO A 56 19.197 -1.484 0.133 1.00 0.00 N ATOM 862 CA PRO A 56 18.811 -2.466 -0.923 1.00 0.00 C ATOM 863 C PRO A 56 18.849 -3.915 -0.423 1.00 0.00 C ATOM 864 O PRO A 56 18.459 -4.841 -1.139 1.00 0.00 O ATOM 865 CB PRO A 56 19.867 -2.262 -2.022 1.00 0.00 C ATOM 866 CG PRO A 56 20.794 -1.185 -1.540 1.00 0.00 C ATOM 867 CD PRO A 56 20.579 -1.051 -0.036 1.00 0.00 C ATOM 0 HA PRO A 56 17.787 -2.303 -1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.413 -3.187 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.396 -1.974 -2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.830 -1.441 -1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.585 -0.242 -2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.271 -1.676 0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.726 -0.026 0.304 1.00 0.00 H new ATOM 875 N GLN A 57 19.358 -4.108 0.792 1.00 0.00 N ATOM 876 CA GLN A 57 19.491 -5.453 1.353 1.00 0.00 C ATOM 877 C GLN A 57 18.138 -6.107 1.626 1.00 0.00 C ATOM 878 O GLN A 57 17.932 -7.268 1.275 1.00 0.00 O ATOM 879 CB GLN A 57 20.283 -5.390 2.659 1.00 0.00 C ATOM 880 CG GLN A 57 20.530 -6.810 3.174 1.00 0.00 C ATOM 881 CD GLN A 57 21.123 -6.759 4.578 1.00 0.00 C ATOM 882 OE1 GLN A 57 20.488 -6.253 5.503 1.00 0.00 O ATOM 883 NE2 GLN A 57 22.308 -7.260 4.795 1.00 0.00 N ATOM 0 H GLN A 57 19.683 -3.359 1.403 1.00 0.00 H new ATOM 0 HA GLN A 57 20.013 -6.059 0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.233 -4.880 2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.734 -4.812 3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.595 -7.370 3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.208 -7.337 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 57 22.833 -7.679 4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.709 -7.233 5.732 1.00 0.00 H new ATOM 892 N LEU A 58 17.214 -5.378 2.241 1.00 0.00 N ATOM 893 CA LEU A 58 15.903 -5.949 2.523 1.00 0.00 C ATOM 894 C LEU A 58 15.096 -6.077 1.234 1.00 0.00 C ATOM 895 O LEU A 58 14.172 -6.888 1.149 1.00 0.00 O ATOM 896 CB LEU A 58 15.141 -5.118 3.563 1.00 0.00 C ATOM 897 CG LEU A 58 15.570 -3.658 3.488 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.457 -3.182 2.045 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.658 -2.812 4.381 1.00 0.00 C ATOM 0 H LEU A 58 17.342 -4.414 2.548 1.00 0.00 H new ATOM 0 HA LEU A 58 16.051 -6.943 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.068 -5.199 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.331 -5.510 4.562 1.00 0.00 H new ATOM 0 HG LEU A 58 16.600 -3.557 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.762 -2.138 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.103 -3.788 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.424 -3.279 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.964 -1.767 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.627 -2.906 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.733 -3.160 5.411 1.00 0.00 H new ATOM 911 N VAL A 59 15.460 -5.287 0.224 1.00 0.00 N ATOM 912 CA VAL A 59 14.771 -5.340 -1.060 1.00 0.00 C ATOM 913 C VAL A 59 14.965 -6.723 -1.672 1.00 0.00 C ATOM 914 O VAL A 59 14.008 -7.357 -2.112 1.00 0.00 O ATOM 915 CB VAL A 59 15.330 -4.266 -1.994 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.547 -4.275 -3.305 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.190 -2.891 -1.335 1.00 0.00 C ATOM 0 H VAL A 59 16.221 -4.610 0.271 1.00 0.00 H new ATOM 0 HA VAL A 59 13.707 -5.154 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 59 16.382 -4.472 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.945 -3.510 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.641 -5.253 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.496 -4.069 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.589 -2.126 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.138 -2.688 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.744 -2.879 -0.396 1.00 0.00 H new ATOM 927 N GLU A 60 16.208 -7.201 -1.661 1.00 0.00 N ATOM 928 CA GLU A 60 16.505 -8.531 -2.187 1.00 0.00 C ATOM 929 C GLU A 60 15.911 -9.589 -1.266 1.00 0.00 C ATOM 930 O GLU A 60 15.454 -10.639 -1.718 1.00 0.00 O ATOM 931 CB GLU A 60 18.017 -8.734 -2.298 1.00 0.00 C ATOM 932 CG GLU A 60 18.585 -7.799 -3.367 1.00 0.00 C ATOM 933 CD GLU A 60 20.085 -8.031 -3.517 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.630 -8.781 -2.723 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.666 -7.456 -4.422 1.00 0.00 O ATOM 0 H GLU A 60 17.016 -6.695 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 60 16.065 -8.624 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.492 -8.535 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.237 -9.771 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.084 -7.975 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.394 -6.761 -3.093 1.00 0.00 H new ATOM 942 N TYR A 61 15.909 -9.296 0.032 1.00 0.00 N ATOM 943 CA TYR A 61 15.353 -10.220 1.011 1.00 0.00 C ATOM 944 C TYR A 61 13.915 -10.547 0.646 1.00 0.00 C ATOM 945 O TYR A 61 13.487 -11.699 0.713 1.00 0.00 O ATOM 946 CB TYR A 61 15.403 -9.592 2.404 1.00 0.00 C ATOM 947 CG TYR A 61 14.796 -10.539 3.407 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.525 -11.644 3.861 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.502 -10.307 3.884 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.956 -12.522 4.792 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.933 -11.184 4.816 1.00 0.00 C ATOM 952 CZ TYR A 61 13.659 -12.292 5.270 1.00 0.00 C ATOM 953 OH TYR A 61 13.099 -13.158 6.188 1.00 0.00 O ATOM 0 H TYR A 61 16.283 -8.433 0.426 1.00 0.00 H new ATOM 0 HA TYR A 61 15.941 -11.138 1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.435 -9.369 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.861 -8.646 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.525 -11.819 3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.942 -9.452 3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.517 -13.376 5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.934 -11.006 5.185 1.00 0.00 H new ATOM 0 HH TYR A 61 12.196 -12.854 6.416 1.00 0.00 H new ATOM 963 N TYR A 62 13.181 -9.521 0.235 1.00 0.00 N ATOM 964 CA TYR A 62 11.800 -9.689 -0.168 1.00 0.00 C ATOM 965 C TYR A 62 11.745 -10.108 -1.628 1.00 0.00 C ATOM 966 O TYR A 62 10.703 -10.009 -2.277 1.00 0.00 O ATOM 967 CB TYR A 62 11.057 -8.367 0.006 1.00 0.00 C ATOM 968 CG TYR A 62 10.984 -8.006 1.468 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.341 -8.859 2.370 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.560 -6.814 1.918 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.274 -8.520 3.726 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.494 -6.473 3.273 1.00 0.00 C ATOM 973 CZ TYR A 62 10.850 -7.326 4.178 1.00 0.00 C ATOM 974 OH TYR A 62 10.784 -6.992 5.516 1.00 0.00 O ATOM 0 H TYR A 62 13.525 -8.563 0.174 1.00 0.00 H new ATOM 0 HA TYR A 62 11.332 -10.456 0.449 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.567 -7.578 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.052 -8.448 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.896 -9.779 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.056 -6.157 1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.778 -9.179 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.939 -5.553 3.621 1.00 0.00 H new ATOM 0 HH TYR A 62 11.233 -6.133 5.661 1.00 0.00 H new ATOM 984 N ARG A 63 12.884 -10.550 -2.149 1.00 0.00 N ATOM 985 CA ARG A 63 12.961 -10.948 -3.545 1.00 0.00 C ATOM 986 C ARG A 63 12.532 -9.774 -4.411 1.00 0.00 C ATOM 987 O ARG A 63 12.435 -9.877 -5.633 1.00 0.00 O ATOM 988 CB ARG A 63 12.059 -12.157 -3.803 1.00 0.00 C ATOM 989 CG ARG A 63 12.555 -13.358 -2.992 1.00 0.00 C ATOM 990 CD ARG A 63 13.755 -14.001 -3.698 1.00 0.00 C ATOM 991 NE ARG A 63 13.382 -14.421 -5.044 1.00 0.00 N ATOM 992 CZ ARG A 63 12.378 -15.268 -5.243 1.00 0.00 C ATOM 993 NH1 ARG A 63 12.442 -16.478 -4.760 1.00 0.00 N ATOM 994 NH2 ARG A 63 11.328 -14.888 -5.920 1.00 0.00 N ATOM 0 H ARG A 63 13.757 -10.640 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 63 13.984 -11.231 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.031 -11.920 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.057 -12.400 -4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.839 -13.039 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.754 -14.088 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.581 -13.291 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.106 -14.860 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 63 13.900 -14.059 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.262 -16.773 -4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.672 -17.129 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.279 -13.941 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.557 -15.538 -6.073 1.00 0.00 H new ATOM 1008 N LEU A 64 12.294 -8.653 -3.744 1.00 0.00 N ATOM 1009 CA LEU A 64 11.890 -7.427 -4.409 1.00 0.00 C ATOM 1010 C LEU A 64 13.001 -6.978 -5.355 1.00 0.00 C ATOM 1011 O LEU A 64 14.175 -6.993 -4.989 1.00 0.00 O ATOM 1012 CB LEU A 64 11.636 -6.361 -3.336 1.00 0.00 C ATOM 1013 CG LEU A 64 10.753 -5.241 -3.874 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.455 -4.541 -5.031 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.423 -5.823 -4.351 1.00 0.00 C ATOM 0 H LEU A 64 12.376 -8.570 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 64 10.982 -7.584 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.160 -6.819 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.586 -5.948 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 64 10.566 -4.517 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.820 -3.741 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.398 -4.120 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.650 -5.260 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.792 -5.022 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.607 -6.551 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.920 -6.312 -3.517 1.00 0.00 H new ATOM 1027 N VAL A 65 12.640 -6.607 -6.581 1.00 0.00 N ATOM 1028 CA VAL A 65 13.651 -6.187 -7.550 1.00 0.00 C ATOM 1029 C VAL A 65 13.171 -5.023 -8.417 1.00 0.00 C ATOM 1030 O VAL A 65 13.969 -4.402 -9.118 1.00 0.00 O ATOM 1031 CB VAL A 65 14.022 -7.366 -8.450 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.483 -7.235 -8.887 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.837 -8.673 -7.675 1.00 0.00 C ATOM 0 H VAL A 65 11.679 -6.588 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 65 14.521 -5.848 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 65 13.379 -7.369 -9.330 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.748 -8.075 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.616 -6.303 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.127 -7.233 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.101 -9.516 -8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.481 -8.669 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.797 -8.767 -7.362 1.00 0.00 H new ATOM 1043 N VAL A 66 11.878 -4.728 -8.377 1.00 0.00 N ATOM 1044 CA VAL A 66 11.344 -3.639 -9.174 1.00 0.00 C ATOM 1045 C VAL A 66 10.834 -2.519 -8.279 1.00 0.00 C ATOM 1046 O VAL A 66 10.256 -2.769 -7.222 1.00 0.00 O ATOM 1047 CB VAL A 66 10.198 -4.150 -10.038 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.740 -5.070 -11.130 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.211 -4.924 -9.162 1.00 0.00 C ATOM 0 H VAL A 66 11.190 -5.222 -7.808 1.00 0.00 H new ATOM 0 HA VAL A 66 12.142 -3.251 -9.807 1.00 0.00 H new ATOM 0 HB VAL A 66 9.692 -3.304 -10.503 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.915 -5.432 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.443 -4.519 -11.755 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.250 -5.917 -10.672 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.389 -5.291 -9.777 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.721 -5.767 -8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.818 -4.265 -8.387 1.00 0.00 H new ATOM 1059 N THR A 67 11.043 -1.283 -8.716 1.00 0.00 N ATOM 1060 CA THR A 67 10.587 -0.133 -7.952 1.00 0.00 C ATOM 1061 C THR A 67 9.896 0.870 -8.876 1.00 0.00 C ATOM 1062 O THR A 67 10.248 0.983 -10.050 1.00 0.00 O ATOM 1063 CB THR A 67 11.770 0.534 -7.248 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.845 0.676 -8.165 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.211 -0.334 -6.067 1.00 0.00 C ATOM 0 H THR A 67 11.521 -1.054 -9.588 1.00 0.00 H new ATOM 0 HA THR A 67 9.874 -0.471 -7.200 1.00 0.00 H new ATOM 0 HB THR A 67 11.474 1.518 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.603 1.105 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.054 0.139 -5.563 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.383 -0.442 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.510 -1.317 -6.430 1.00 0.00 H new ATOM 1073 N PRO A 68 8.921 1.588 -8.379 1.00 0.00 N ATOM 1074 CA PRO A 68 8.463 1.483 -6.967 1.00 0.00 C ATOM 1075 C PRO A 68 7.666 0.204 -6.722 1.00 0.00 C ATOM 1076 O PRO A 68 7.119 -0.385 -7.653 1.00 0.00 O ATOM 1077 CB PRO A 68 7.581 2.723 -6.751 1.00 0.00 C ATOM 1078 CG PRO A 68 7.571 3.486 -8.041 1.00 0.00 C ATOM 1079 CD PRO A 68 8.144 2.577 -9.125 1.00 0.00 C ATOM 0 HA PRO A 68 9.304 1.441 -6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.570 2.432 -6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.974 3.339 -5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.556 3.792 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.165 4.395 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.354 2.106 -9.710 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.770 3.133 -9.823 1.00 0.00 H new ATOM 1087 N ALA A 69 7.614 -0.220 -5.466 1.00 0.00 N ATOM 1088 CA ALA A 69 6.889 -1.434 -5.110 1.00 0.00 C ATOM 1089 C ALA A 69 6.339 -1.317 -3.691 1.00 0.00 C ATOM 1090 O ALA A 69 6.967 -0.708 -2.824 1.00 0.00 O ATOM 1091 CB ALA A 69 7.827 -2.639 -5.186 1.00 0.00 C ATOM 0 H ALA A 69 8.061 0.254 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 69 6.064 -1.567 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.280 -3.543 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.214 -2.735 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.656 -2.499 -4.493 1.00 0.00 H new ATOM 1097 N LEU A 70 5.170 -1.901 -3.455 1.00 0.00 N ATOM 1098 CA LEU A 70 4.558 -1.848 -2.134 1.00 0.00 C ATOM 1099 C LEU A 70 4.376 -3.257 -1.579 1.00 0.00 C ATOM 1100 O LEU A 70 3.914 -4.153 -2.285 1.00 0.00 O ATOM 1101 CB LEU A 70 3.206 -1.139 -2.220 1.00 0.00 C ATOM 1102 CG LEU A 70 2.780 -0.682 -0.827 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.623 0.312 -0.946 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.331 -1.890 -0.007 1.00 0.00 C ATOM 0 H LEU A 70 4.631 -2.412 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 70 5.212 -1.292 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.275 -0.282 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.457 -1.811 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 70 3.623 -0.200 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.319 0.638 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.944 1.176 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.780 -0.168 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.027 -1.562 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.489 -2.374 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.156 -2.597 0.080 1.00 0.00 H new ATOM 1116 N VAL A 71 4.759 -3.454 -0.318 1.00 0.00 N ATOM 1117 CA VAL A 71 4.643 -4.774 0.294 1.00 0.00 C ATOM 1118 C VAL A 71 3.969 -4.720 1.665 1.00 0.00 C ATOM 1119 O VAL A 71 4.408 -3.996 2.558 1.00 0.00 O ATOM 1120 CB VAL A 71 6.039 -5.389 0.442 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.919 -6.831 0.941 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.755 -5.372 -0.915 1.00 0.00 C ATOM 0 H VAL A 71 5.145 -2.731 0.289 1.00 0.00 H new ATOM 0 HA VAL A 71 4.019 -5.385 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 71 6.614 -4.807 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.914 -7.264 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.416 -6.841 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.341 -7.417 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.748 -5.810 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.179 -5.950 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.848 -4.344 -1.265 1.00 0.00 H new ATOM 1132 N LYS A 72 2.920 -5.525 1.830 1.00 0.00 N ATOM 1133 CA LYS A 72 2.212 -5.601 3.103 1.00 0.00 C ATOM 1134 C LYS A 72 2.805 -6.721 3.947 1.00 0.00 C ATOM 1135 O LYS A 72 2.990 -7.836 3.463 1.00 0.00 O ATOM 1136 CB LYS A 72 0.722 -5.868 2.884 1.00 0.00 C ATOM 1137 CG LYS A 72 0.013 -5.899 4.243 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.943 -7.094 4.310 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.225 -6.765 3.549 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.751 -8.000 2.902 1.00 0.00 N ATOM 0 H LYS A 72 2.544 -6.131 1.100 1.00 0.00 H new ATOM 0 HA LYS A 72 2.323 -4.646 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.290 -5.092 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.582 -6.816 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.749 -5.966 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.540 -4.972 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.469 -7.977 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.175 -7.330 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.970 -6.354 4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.027 -6.003 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.767 -7.886 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.247 -8.165 2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.606 -8.812 3.535 1.00 0.00 H new ATOM 1154 N ILE A 73 3.106 -6.424 5.203 1.00 0.00 N ATOM 1155 CA ILE A 73 3.685 -7.428 6.086 1.00 0.00 C ATOM 1156 C ILE A 73 2.639 -8.016 7.032 1.00 0.00 C ATOM 1157 O ILE A 73 2.826 -9.116 7.553 1.00 0.00 O ATOM 1158 CB ILE A 73 4.843 -6.826 6.886 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.611 -5.324 7.073 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.155 -7.055 6.133 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.194 -4.559 5.881 1.00 0.00 C ATOM 0 H ILE A 73 2.962 -5.509 5.630 1.00 0.00 H new ATOM 0 HA ILE A 73 4.063 -8.239 5.463 1.00 0.00 H new ATOM 0 HB ILE A 73 4.898 -7.305 7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.544 -5.119 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.079 -4.986 7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.980 -6.627 6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.319 -8.125 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.101 -6.577 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.027 -3.491 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.264 -4.753 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.706 -4.888 4.964 1.00 0.00 H new ATOM 1173 N GLY A 74 1.533 -7.305 7.246 1.00 0.00 N ATOM 1174 CA GLY A 74 0.490 -7.822 8.125 1.00 0.00 C ATOM 1175 C GLY A 74 -0.250 -6.703 8.851 1.00 0.00 C ATOM 1176 O GLY A 74 -0.018 -5.522 8.591 1.00 0.00 O ATOM 0 H GLY A 74 1.340 -6.392 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.220 -8.407 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.934 -8.498 8.856 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.136 -7.057 9.748 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.427 -8.481 10.071 1.00 0.00 C ATOM 1182 C PRO A 75 -2.006 -9.234 8.879 1.00 0.00 C ATOM 1183 O PRO A 75 -2.470 -8.624 7.915 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.431 -8.439 11.228 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.690 -6.999 11.550 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.954 -6.129 10.531 1.00 0.00 C ATOM 0 HA PRO A 75 -0.514 -9.014 10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.357 -8.942 10.950 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.034 -8.961 12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.760 -6.792 11.521 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.348 -6.770 12.559 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.656 -5.590 9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.335 -5.381 11.027 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.961 -10.557 8.943 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.469 -11.378 7.854 1.00 0.00 C ATOM 1196 C GLY A 76 -1.331 -11.837 6.948 1.00 0.00 C ATOM 1197 O GLY A 76 -0.160 -11.737 7.309 1.00 0.00 O ATOM 0 H GLY A 76 -1.581 -11.081 9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.991 -12.245 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.197 -10.811 7.273 1.00 0.00 H new ATOM 1201 N SER A 77 -1.686 -12.350 5.775 1.00 0.00 N ATOM 1202 CA SER A 77 -0.687 -12.835 4.829 1.00 0.00 C ATOM 1203 C SER A 77 0.123 -11.690 4.235 1.00 0.00 C ATOM 1204 O SER A 77 -0.298 -10.533 4.250 1.00 0.00 O ATOM 1205 CB SER A 77 -1.363 -13.614 3.703 1.00 0.00 C ATOM 1206 OG SER A 77 -0.484 -13.683 2.588 1.00 0.00 O ATOM 0 H SER A 77 -2.651 -12.441 5.458 1.00 0.00 H new ATOM 0 HA SER A 77 -0.008 -13.490 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.619 -14.618 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.295 -13.127 3.417 1.00 0.00 H new ATOM 0 HG SER A 77 -0.914 -14.184 1.863 1.00 0.00 H new ATOM 1212 N ARG A 78 1.291 -12.034 3.706 1.00 0.00 N ATOM 1213 CA ARG A 78 2.177 -11.052 3.091 1.00 0.00 C ATOM 1214 C ARG A 78 1.866 -10.924 1.603 1.00 0.00 C ATOM 1215 O ARG A 78 1.589 -11.920 0.932 1.00 0.00 O ATOM 1216 CB ARG A 78 3.630 -11.492 3.275 1.00 0.00 C ATOM 1217 CG ARG A 78 4.576 -10.407 2.757 1.00 0.00 C ATOM 1218 CD ARG A 78 6.021 -10.871 2.944 1.00 0.00 C ATOM 1219 NE ARG A 78 6.252 -12.102 2.198 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.437 -12.376 1.664 1.00 0.00 C ATOM 1221 NH1 ARG A 78 8.529 -11.980 2.259 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.509 -13.046 0.546 1.00 0.00 N ATOM 0 H ARG A 78 1.648 -12.989 3.690 1.00 0.00 H new ATOM 0 HA ARG A 78 2.024 -10.085 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.829 -11.686 4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.806 -12.425 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.379 -10.208 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.408 -9.474 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.707 -10.096 2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.225 -11.034 4.002 1.00 0.00 H new ATOM 0 HE ARG A 78 5.487 -12.767 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.473 -11.460 3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.439 -12.191 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.656 -13.359 0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.419 -13.257 0.135 1.00 0.00 H new ATOM 1236 N GLN A 79 1.913 -9.700 1.086 1.00 0.00 N ATOM 1237 CA GLN A 79 1.633 -9.474 -0.328 1.00 0.00 C ATOM 1238 C GLN A 79 2.599 -8.450 -0.910 1.00 0.00 C ATOM 1239 O GLN A 79 3.010 -7.513 -0.227 1.00 0.00 O ATOM 1240 CB GLN A 79 0.198 -8.972 -0.503 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.784 -10.048 -0.041 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.214 -9.541 -0.192 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.480 -8.358 0.020 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -3.154 -10.368 -0.556 1.00 0.00 N ATOM 0 H GLN A 79 2.139 -8.859 1.617 1.00 0.00 H new ATOM 0 HA GLN A 79 1.758 -10.419 -0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.049 -8.059 0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.014 -8.723 -1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.646 -10.956 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.589 -10.309 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.931 -11.348 -0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.112 -10.035 -0.666 1.00 0.00 H new ATOM 1253 N VAL A 80 2.952 -8.631 -2.178 1.00 0.00 N ATOM 1254 CA VAL A 80 3.869 -7.711 -2.838 1.00 0.00 C ATOM 1255 C VAL A 80 3.206 -7.061 -4.048 1.00 0.00 C ATOM 1256 O VAL A 80 2.734 -7.747 -4.954 1.00 0.00 O ATOM 1257 CB VAL A 80 5.121 -8.460 -3.293 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.130 -7.467 -3.875 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.744 -9.181 -2.096 1.00 0.00 C ATOM 0 H VAL A 80 2.621 -9.398 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 80 4.143 -6.934 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 80 4.851 -9.189 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.022 -8.003 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.685 -6.954 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.402 -6.736 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.637 -9.716 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.014 -8.452 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.026 -9.890 -1.684 1.00 0.00 H new ATOM 1269 N LEU A 81 3.195 -5.733 -4.060 1.00 0.00 N ATOM 1270 CA LEU A 81 2.611 -4.991 -5.169 1.00 0.00 C ATOM 1271 C LEU A 81 3.694 -4.154 -5.837 1.00 0.00 C ATOM 1272 O LEU A 81 4.414 -3.420 -5.164 1.00 0.00 O ATOM 1273 CB LEU A 81 1.508 -4.067 -4.656 1.00 0.00 C ATOM 1274 CG LEU A 81 0.672 -4.791 -3.595 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.307 -3.800 -2.972 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.120 -5.933 -4.236 1.00 0.00 C ATOM 0 H LEU A 81 3.582 -5.151 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 81 2.186 -5.693 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.946 -3.164 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.870 -3.754 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 81 1.337 -5.198 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.906 -4.307 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.247 -2.984 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.962 -3.400 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.710 -6.440 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.785 -5.531 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.570 -6.643 -4.692 1.00 0.00 H new ATOM 1288 N SER A 82 3.820 -4.264 -7.153 1.00 0.00 N ATOM 1289 CA SER A 82 4.841 -3.495 -7.852 1.00 0.00 C ATOM 1290 C SER A 82 4.511 -3.312 -9.320 1.00 0.00 C ATOM 1291 O SER A 82 3.617 -3.959 -9.865 1.00 0.00 O ATOM 1292 CB SER A 82 6.197 -4.184 -7.739 1.00 0.00 C ATOM 1293 OG SER A 82 7.149 -3.461 -8.507 1.00 0.00 O ATOM 0 H SER A 82 3.244 -4.862 -7.746 1.00 0.00 H new ATOM 0 HA SER A 82 4.875 -2.514 -7.378 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.511 -4.229 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.128 -5.212 -8.096 1.00 0.00 H new ATOM 0 HG SER A 82 7.249 -2.558 -8.138 1.00 0.00 H new ATOM 1299 N GLY A 83 5.269 -2.428 -9.951 1.00 0.00 N ATOM 1300 CA GLY A 83 5.093 -2.153 -11.372 1.00 0.00 C ATOM 1301 C GLY A 83 4.093 -1.026 -11.607 1.00 0.00 C ATOM 1302 O GLY A 83 3.119 -1.191 -12.342 1.00 0.00 O ATOM 0 H GLY A 83 6.011 -1.889 -9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.053 -1.886 -11.813 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.750 -3.056 -11.878 1.00 0.00 H new ATOM 1306 N ILE A 84 4.350 0.115 -10.978 1.00 0.00 N ATOM 1307 CA ILE A 84 3.483 1.287 -11.109 1.00 0.00 C ATOM 1308 C ILE A 84 2.000 0.915 -11.073 1.00 0.00 C ATOM 1309 O ILE A 84 1.135 1.773 -11.250 1.00 0.00 O ATOM 1310 CB ILE A 84 3.801 2.030 -12.411 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.292 1.232 -13.618 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.316 2.202 -12.529 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.450 2.074 -14.886 1.00 0.00 C ATOM 0 H ILE A 84 5.155 0.257 -10.368 1.00 0.00 H new ATOM 0 HA ILE A 84 3.680 1.935 -10.255 1.00 0.00 H new ATOM 0 HB ILE A 84 3.309 3.003 -12.395 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.851 0.301 -13.714 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.246 0.963 -13.475 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.551 2.730 -13.453 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.684 2.776 -11.679 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.794 1.222 -12.539 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.089 1.509 -15.745 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.872 2.993 -14.787 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.502 2.321 -15.030 1.00 0.00 H new ATOM 1325 N ASP A 85 1.707 -0.356 -10.827 1.00 0.00 N ATOM 1326 CA ASP A 85 0.321 -0.806 -10.754 1.00 0.00 C ATOM 1327 C ASP A 85 -0.100 -0.919 -9.296 1.00 0.00 C ATOM 1328 O ASP A 85 -1.161 -1.455 -8.977 1.00 0.00 O ATOM 1329 CB ASP A 85 0.169 -2.161 -11.449 1.00 0.00 C ATOM 1330 CG ASP A 85 1.002 -3.215 -10.729 1.00 0.00 C ATOM 1331 OD1 ASP A 85 0.852 -3.340 -9.525 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.780 -3.881 -11.393 1.00 0.00 O ATOM 0 H ASP A 85 2.402 -1.087 -10.676 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.318 -0.081 -11.259 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.880 -2.458 -11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.487 -2.083 -12.489 1.00 0.00 H new ATOM 1337 N LEU A 86 0.756 -0.410 -8.417 1.00 0.00 N ATOM 1338 CA LEU A 86 0.500 -0.447 -6.987 1.00 0.00 C ATOM 1339 C LEU A 86 -0.902 0.054 -6.661 1.00 0.00 C ATOM 1340 O LEU A 86 -1.609 -0.540 -5.847 1.00 0.00 O ATOM 1341 CB LEU A 86 1.525 0.429 -6.265 1.00 0.00 C ATOM 1342 CG LEU A 86 2.939 -0.001 -6.661 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.492 0.946 -7.730 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.843 0.044 -5.429 1.00 0.00 C ATOM 0 H LEU A 86 1.637 0.035 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 86 0.582 -1.482 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.368 1.477 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.397 0.342 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 86 2.908 -1.014 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.499 0.634 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.848 0.918 -8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.523 1.962 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.852 -0.262 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.868 1.059 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.455 -0.633 -4.668 1.00 0.00 H new ATOM 1356 N THR A 87 -1.292 1.158 -7.286 1.00 0.00 N ATOM 1357 CA THR A 87 -2.605 1.737 -7.033 1.00 0.00 C ATOM 1358 C THR A 87 -3.717 0.823 -7.531 1.00 0.00 C ATOM 1359 O THR A 87 -4.754 0.687 -6.882 1.00 0.00 O ATOM 1360 CB THR A 87 -2.717 3.101 -7.716 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.835 2.917 -9.121 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.466 3.929 -7.411 1.00 0.00 C ATOM 0 H THR A 87 -0.725 1.666 -7.965 1.00 0.00 H new ATOM 0 HA THR A 87 -2.716 1.857 -5.955 1.00 0.00 H new ATOM 0 HB THR A 87 -3.597 3.625 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.909 3.790 -9.560 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.546 4.901 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.376 4.069 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.585 3.407 -7.784 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.501 0.189 -8.677 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.502 -0.710 -9.222 1.00 0.00 C ATOM 1372 C ASP A 88 -4.575 -1.959 -8.358 1.00 0.00 C ATOM 1373 O ASP A 88 -5.656 -2.407 -7.974 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.128 -1.092 -10.653 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.188 0.137 -11.555 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.736 1.138 -11.122 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.687 0.060 -12.664 1.00 0.00 O ATOM 0 H ASP A 88 -2.654 0.280 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.473 -0.215 -9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.126 -1.520 -10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.809 -1.858 -11.023 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.407 -2.501 -8.038 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.330 -3.684 -7.199 1.00 0.00 C ATOM 1384 C GLN A 89 -3.739 -3.334 -5.771 1.00 0.00 C ATOM 1385 O GLN A 89 -4.556 -4.021 -5.163 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.902 -4.235 -7.225 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.940 -5.763 -7.228 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.520 -6.315 -7.317 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.462 -5.522 -7.656 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 -0.300 -7.503 -7.082 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.504 -2.140 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.011 -4.446 -7.579 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.378 -3.873 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.348 -3.877 -6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.425 -6.126 -6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.532 -6.120 -8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.067 -8.121 -6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.649 -7.869 -7.152 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.175 -2.247 -5.242 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.504 -1.817 -3.887 1.00 0.00 C ATOM 1401 C LEU A 90 -5.008 -1.615 -3.739 1.00 0.00 C ATOM 1402 O LEU A 90 -5.615 -2.081 -2.774 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.781 -0.509 -3.562 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.141 -0.061 -2.143 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.496 -1.005 -1.128 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.624 1.361 -1.916 1.00 0.00 C ATOM 0 H LEU A 90 -2.498 -1.657 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.181 -2.593 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.703 -0.647 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.062 0.262 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.224 -0.082 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.753 -0.685 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.861 -2.019 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.413 -0.985 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.878 1.684 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.541 1.379 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.083 2.035 -2.639 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.603 -0.924 -4.705 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.039 -0.672 -4.674 1.00 0.00 C ATOM 1420 C ALA A 91 -7.800 -1.991 -4.636 1.00 0.00 C ATOM 1421 O ALA A 91 -8.845 -2.101 -3.997 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.456 0.128 -5.910 1.00 0.00 C ATOM 0 H ALA A 91 -5.119 -0.531 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.276 -0.097 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.530 0.312 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.925 1.080 -5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.210 -0.437 -6.809 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.261 -2.989 -5.325 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.878 -4.303 -5.371 1.00 0.00 C ATOM 1430 C ASN A 92 -7.545 -5.099 -4.116 1.00 0.00 C ATOM 1431 O ASN A 92 -8.376 -5.845 -3.597 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.361 -5.055 -6.593 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.881 -4.403 -7.869 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.907 -3.723 -7.846 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.229 -4.569 -8.987 1.00 0.00 N ATOM 0 H ASN A 92 -6.396 -2.910 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.959 -4.181 -5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.271 -5.056 -6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.681 -6.096 -6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.569 -4.135 -9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.379 -5.133 -9.003 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.312 -4.947 -3.652 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.845 -5.661 -2.476 1.00 0.00 C ATOM 1444 C GLN A 93 -6.371 -5.038 -1.187 1.00 0.00 C ATOM 1445 O GLN A 93 -6.646 -5.744 -0.217 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.317 -5.650 -2.450 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.780 -6.451 -3.636 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.145 -7.918 -3.475 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.869 -8.520 -2.437 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.757 -8.532 -4.446 1.00 0.00 N ATOM 0 H GLN A 93 -5.616 -4.333 -4.075 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.221 -6.683 -2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.950 -4.625 -2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.956 -6.078 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.196 -6.063 -4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.697 -6.341 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.984 -8.030 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.010 -9.515 -4.349 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.491 -3.718 -1.170 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.965 -3.029 0.020 1.00 0.00 C ATOM 1461 C LEU A 94 -8.293 -3.622 0.506 1.00 0.00 C ATOM 1462 O LEU A 94 -8.373 -4.116 1.631 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.099 -1.531 -0.259 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.915 -0.872 0.853 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.241 -1.128 2.202 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.988 0.635 0.601 1.00 0.00 C ATOM 0 H LEU A 94 -6.269 -3.109 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.234 -3.167 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.112 -1.073 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.584 -1.372 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.921 -1.292 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.823 -0.658 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.183 -2.201 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.236 -0.707 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.569 1.108 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.981 1.052 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.466 0.820 -0.361 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.322 -3.601 -0.306 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.645 -4.170 0.074 1.00 0.00 C ATOM 1480 C PRO A 95 -10.498 -5.570 0.664 1.00 0.00 C ATOM 1481 O PRO A 95 -11.121 -5.905 1.672 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.428 -4.246 -1.245 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.519 -3.745 -2.325 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.352 -3.030 -1.653 1.00 0.00 C ATOM 0 HA PRO A 95 -11.139 -3.561 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.741 -5.270 -1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.333 -3.641 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.160 -4.572 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.053 -3.065 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.416 -3.206 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.505 -1.951 -1.627 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.665 -6.379 0.016 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.426 -7.746 0.460 1.00 0.00 C ATOM 1494 C GLN A 96 -8.810 -7.759 1.854 1.00 0.00 C ATOM 1495 O GLN A 96 -9.066 -8.662 2.649 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.480 -8.443 -0.521 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.128 -8.491 -1.906 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.155 -9.088 -2.917 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.964 -9.217 -2.633 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.593 -9.456 -4.089 1.00 0.00 N ATOM 0 H GLN A 96 -9.144 -6.110 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.379 -8.273 0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.531 -7.909 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.260 -9.453 -0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.039 -9.088 -1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.417 -7.487 -2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.580 -9.348 -4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.948 -9.852 -4.773 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.992 -6.753 2.138 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.333 -6.660 3.436 1.00 0.00 C ATOM 1511 C TRP A 97 -8.358 -6.474 4.552 1.00 0.00 C ATOM 1512 O TRP A 97 -8.152 -6.930 5.674 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.355 -5.484 3.443 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.330 -5.671 2.368 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.207 -6.768 1.585 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.283 -4.748 1.947 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.150 -6.577 0.710 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.550 -5.346 0.895 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.903 -3.462 2.373 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.476 -4.692 0.288 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.824 -2.801 1.764 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.113 -3.413 0.723 1.00 0.00 C ATOM 0 H TRP A 97 -7.770 -5.995 1.493 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.790 -7.589 3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.894 -4.550 3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.867 -5.411 4.415 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.831 -7.648 1.634 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.851 -7.261 0.015 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.445 -2.980 3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.930 -5.170 -0.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.540 -1.815 2.100 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.286 -2.898 0.257 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.457 -5.795 4.239 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.506 -5.553 5.221 1.00 0.00 C ATOM 1535 C LEU A 98 -11.539 -6.675 5.198 1.00 0.00 C ATOM 1536 O LEU A 98 -12.239 -6.916 6.183 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.198 -4.235 4.893 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.168 -3.110 4.876 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.827 -1.825 4.373 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.641 -2.893 6.294 1.00 0.00 C ATOM 0 H LEU A 98 -9.643 -5.404 3.316 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.055 -5.512 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.694 -4.303 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.971 -4.024 5.632 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.343 -3.375 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.092 -1.020 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.210 -1.983 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.650 -1.555 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.904 -2.090 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.467 -2.623 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.175 -3.811 6.654 1.00 0.00 H new