USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 591 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 14 HIS : no HD1:sc= -0.542 K(o=-0.54,f=0.065) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 66 ASN : amide:sc= -8.63! C(o=-10!,f=-9.1!) USER MOD Set 2.2: A 88 GLN : amide:sc= -1.59 X(o=-10,f=-10!) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -163:sc= -5.56! (180deg=-6.31!) USER MOD Set 3.2: A 85 THR OG1 : rot -79:sc= 1.16 USER MOD Single : A 38 THR OG1 : rot -36:sc= 0.0858 USER MOD Single : A 43 ASN : amide:sc= -0.0657 X(o=-0.066,f=-0.0092) USER MOD Single : A 46 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-1.3) USER MOD Single : A 53 SER OG : rot -100:sc= 0.56 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -137:sc= -4.82! USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.925 1.428 -10.163 1.00 0.00 N ATOM 104 CA ARG A 11 4.327 0.036 -10.329 1.00 0.00 C ATOM 105 C ARG A 11 3.205 -0.908 -9.907 1.00 0.00 C ATOM 106 O ARG A 11 2.453 -0.617 -8.978 1.00 0.00 O ATOM 107 CB ARG A 11 5.587 -0.254 -9.511 1.00 0.00 C ATOM 108 CG ARG A 11 5.867 -1.736 -9.329 1.00 0.00 C ATOM 109 CD ARG A 11 7.178 -1.970 -8.595 1.00 0.00 C ATOM 110 NE ARG A 11 7.039 -1.782 -7.153 1.00 0.00 N ATOM 111 CZ ARG A 11 8.036 -1.950 -6.291 1.00 0.00 C ATOM 112 NH1 ARG A 11 9.237 -2.308 -6.723 1.00 0.00 N ATOM 113 NH2 ARG A 11 7.831 -1.760 -4.994 1.00 0.00 N ATOM 0 HA ARG A 11 4.541 -0.131 -11.385 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.443 0.211 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.488 0.212 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.050 -2.196 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.903 -2.223 -10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.531 -2.982 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.935 -1.286 -8.978 1.00 0.00 H new ATOM 0 HE ARG A 11 6.127 -1.507 -6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.398 -2.455 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.001 -2.436 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.908 -1.485 -4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.597 -1.889 -4.332 1.00 0.00 H new ATOM 127 N GLU A 12 3.100 -2.039 -10.598 1.00 0.00 N ATOM 128 CA GLU A 12 2.069 -3.025 -10.295 1.00 0.00 C ATOM 129 C GLU A 12 2.675 -4.262 -9.639 1.00 0.00 C ATOM 130 O GLU A 12 3.447 -4.993 -10.260 1.00 0.00 O ATOM 131 CB GLU A 12 1.323 -3.424 -11.570 1.00 0.00 C ATOM 132 CG GLU A 12 -0.122 -3.825 -11.330 1.00 0.00 C ATOM 133 CD GLU A 12 -0.925 -3.914 -12.613 1.00 0.00 C ATOM 134 OE1 GLU A 12 -0.626 -4.800 -13.440 1.00 0.00 O ATOM 135 OE2 GLU A 12 -1.852 -3.096 -12.790 1.00 0.00 O ATOM 0 H GLU A 12 3.715 -2.295 -11.370 1.00 0.00 H new ATOM 0 HA GLU A 12 1.364 -2.573 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.348 -2.590 -12.271 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.848 -4.254 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.148 -4.789 -10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.590 -3.101 -10.663 1.00 0.00 H new ATOM 142 N VAL A 13 2.320 -4.490 -8.378 1.00 0.00 N ATOM 143 CA VAL A 13 2.828 -5.638 -7.637 1.00 0.00 C ATOM 144 C VAL A 13 1.687 -6.517 -7.136 1.00 0.00 C ATOM 145 O VAL A 13 0.969 -6.150 -6.205 1.00 0.00 O ATOM 146 CB VAL A 13 3.686 -5.197 -6.437 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.379 -6.395 -5.806 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.701 -4.148 -6.866 1.00 0.00 C ATOM 0 H VAL A 13 1.683 -3.895 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 13 3.448 -6.210 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 13 3.031 -4.752 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.981 -6.063 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.630 -7.109 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.023 -6.873 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.299 -3.847 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.353 -4.565 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.179 -3.279 -7.267 1.00 0.00 H new ATOM 158 N HIS A 14 1.525 -7.680 -7.759 1.00 0.00 N ATOM 159 CA HIS A 14 0.471 -8.613 -7.375 1.00 0.00 C ATOM 160 C HIS A 14 0.948 -9.544 -6.265 1.00 0.00 C ATOM 161 O HIS A 14 2.126 -9.899 -6.201 1.00 0.00 O ATOM 162 CB HIS A 14 0.020 -9.431 -8.585 1.00 0.00 C ATOM 163 CG HIS A 14 -0.260 -8.601 -9.800 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.721 -8.213 -10.688 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.419 -8.085 -10.272 1.00 0.00 C ATOM 166 CE1 HIS A 14 0.177 -7.493 -11.654 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.121 -7.401 -11.424 1.00 0.00 N ATOM 0 H HIS A 14 2.110 -7.999 -8.532 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.374 -8.035 -7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.791 -10.163 -8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.879 -9.989 -8.321 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.396 -8.192 -9.825 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.704 -7.055 -12.489 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.793 -6.903 -12.008 1.00 0.00 H new ATOM 175 N LEU A 15 0.027 -9.936 -5.392 1.00 0.00 N ATOM 176 CA LEU A 15 0.353 -10.826 -4.283 1.00 0.00 C ATOM 177 C LEU A 15 -0.661 -11.961 -4.179 1.00 0.00 C ATOM 178 O LEU A 15 -1.805 -11.824 -4.609 1.00 0.00 O ATOM 179 CB LEU A 15 0.394 -10.042 -2.969 1.00 0.00 C ATOM 180 CG LEU A 15 1.140 -8.708 -3.007 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.799 -7.871 -1.784 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.642 -8.939 -3.095 1.00 0.00 C ATOM 0 H LEU A 15 -0.952 -9.652 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 15 1.336 -11.258 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.631 -9.853 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.855 -10.672 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 15 0.824 -8.162 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.339 -6.925 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.273 -7.676 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.086 -8.411 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.157 -7.979 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.975 -9.506 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.872 -9.498 -4.002 1.00 0.00 H new ATOM 194 N GLU A 16 -0.231 -13.080 -3.605 1.00 0.00 N ATOM 195 CA GLU A 16 -1.103 -14.238 -3.444 1.00 0.00 C ATOM 196 C GLU A 16 -1.259 -14.601 -1.970 1.00 0.00 C ATOM 197 O GLU A 16 -0.342 -15.141 -1.351 1.00 0.00 O ATOM 198 CB GLU A 16 -0.546 -15.435 -4.218 1.00 0.00 C ATOM 199 CG GLU A 16 -0.909 -15.426 -5.694 1.00 0.00 C ATOM 200 CD GLU A 16 -1.009 -16.822 -6.278 1.00 0.00 C ATOM 201 OE1 GLU A 16 0.030 -17.357 -6.718 1.00 0.00 O ATOM 202 OE2 GLU A 16 -2.126 -17.380 -6.295 1.00 0.00 O ATOM 0 H GLU A 16 0.714 -13.209 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.084 -13.980 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.539 -15.448 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.918 -16.355 -3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.861 -14.911 -5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.159 -14.858 -6.245 1.00 0.00 H new ATOM 209 N LYS A 17 -2.427 -14.299 -1.413 1.00 0.00 N ATOM 210 CA LYS A 17 -2.706 -14.592 -0.013 1.00 0.00 C ATOM 211 C LYS A 17 -3.797 -15.651 0.114 1.00 0.00 C ATOM 212 O LYS A 17 -4.428 -16.027 -0.873 1.00 0.00 O ATOM 213 CB LYS A 17 -3.130 -13.319 0.722 1.00 0.00 C ATOM 214 CG LYS A 17 -4.626 -13.059 0.677 1.00 0.00 C ATOM 215 CD LYS A 17 -5.019 -11.907 1.587 1.00 0.00 C ATOM 216 CE LYS A 17 -4.778 -10.562 0.919 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.741 -9.450 1.909 1.00 0.00 N ATOM 0 H LYS A 17 -3.196 -13.851 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.793 -14.979 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.813 -13.388 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.609 -12.467 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.927 -12.834 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.162 -13.960 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.071 -11.997 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.447 -11.962 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.836 -10.592 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.565 -10.373 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.865 -8.542 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.507 -9.576 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.825 -9.454 2.402 1.00 0.00 H new ATOM 231 N ARG A 18 -4.013 -16.128 1.336 1.00 0.00 N ATOM 232 CA ARG A 18 -5.028 -17.143 1.591 1.00 0.00 C ATOM 233 C ARG A 18 -6.240 -16.537 2.293 1.00 0.00 C ATOM 234 O ARG A 18 -6.107 -15.611 3.093 1.00 0.00 O ATOM 235 CB ARG A 18 -4.446 -18.274 2.442 1.00 0.00 C ATOM 236 CG ARG A 18 -3.544 -19.219 1.665 1.00 0.00 C ATOM 237 CD ARG A 18 -4.349 -20.279 0.930 1.00 0.00 C ATOM 238 NE ARG A 18 -3.537 -21.442 0.586 1.00 0.00 N ATOM 239 CZ ARG A 18 -4.001 -22.489 -0.089 1.00 0.00 C ATOM 240 NH1 ARG A 18 -5.264 -22.516 -0.490 1.00 0.00 N ATOM 241 NH2 ARG A 18 -3.200 -23.510 -0.364 1.00 0.00 N ATOM 0 H ARG A 18 -3.499 -15.828 2.164 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.350 -17.547 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.880 -17.842 3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.264 -18.845 2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.950 -18.651 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.845 -19.701 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.187 -20.593 1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.770 -19.849 0.021 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.560 -21.452 0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.882 -21.732 -0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.618 -23.321 -1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.227 -23.492 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.557 -24.313 -0.882 1.00 0.00 H new ATOM 255 N ARG A 19 -7.420 -17.065 1.986 1.00 0.00 N ATOM 256 CA ARG A 19 -8.655 -16.574 2.585 1.00 0.00 C ATOM 257 C ARG A 19 -8.528 -16.491 4.103 1.00 0.00 C ATOM 258 O ARG A 19 -8.462 -17.512 4.787 1.00 0.00 O ATOM 259 CB ARG A 19 -9.826 -17.485 2.210 1.00 0.00 C ATOM 260 CG ARG A 19 -11.181 -16.801 2.293 1.00 0.00 C ATOM 261 CD ARG A 19 -12.182 -17.432 1.338 1.00 0.00 C ATOM 262 NE ARG A 19 -13.553 -17.024 1.635 1.00 0.00 N ATOM 263 CZ ARG A 19 -14.579 -17.247 0.821 1.00 0.00 C ATOM 264 NH1 ARG A 19 -14.390 -17.873 -0.332 1.00 0.00 N ATOM 265 NH2 ARG A 19 -15.797 -16.846 1.162 1.00 0.00 N ATOM 0 H ARG A 19 -7.547 -17.832 1.326 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.844 -15.573 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.677 -17.855 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.826 -18.353 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.560 -16.864 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.070 -15.742 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.934 -17.151 0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.106 -18.518 1.398 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.732 -16.541 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.455 -18.185 -0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.179 -18.043 -0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.946 -16.366 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.584 -17.018 0.536 1.00 0.00 H new ATOM 279 N GLY A 20 -8.493 -15.268 4.623 1.00 0.00 N ATOM 280 CA GLY A 20 -8.373 -15.075 6.056 1.00 0.00 C ATOM 281 C GLY A 20 -6.930 -14.944 6.505 1.00 0.00 C ATOM 282 O GLY A 20 -6.590 -15.302 7.632 1.00 0.00 O ATOM 0 H GLY A 20 -8.546 -14.408 4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.923 -14.180 6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.836 -15.916 6.573 1.00 0.00 H new ATOM 286 N GLU A 21 -6.081 -14.431 5.620 1.00 0.00 N ATOM 287 CA GLU A 21 -4.668 -14.256 5.931 1.00 0.00 C ATOM 288 C GLU A 21 -4.284 -12.779 5.913 1.00 0.00 C ATOM 289 O GLU A 21 -4.383 -12.114 4.882 1.00 0.00 O ATOM 290 CB GLU A 21 -3.804 -15.031 4.933 1.00 0.00 C ATOM 291 CG GLU A 21 -2.313 -14.917 5.202 1.00 0.00 C ATOM 292 CD GLU A 21 -1.852 -15.822 6.328 1.00 0.00 C ATOM 293 OE1 GLU A 21 -2.412 -16.929 6.467 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.930 -15.422 7.070 1.00 0.00 O ATOM 0 H GLU A 21 -6.347 -14.130 4.683 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.493 -14.646 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.090 -16.083 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.012 -14.668 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.764 -15.165 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.070 -13.884 5.449 1.00 0.00 H new ATOM 301 N GLY A 22 -3.847 -12.273 7.062 1.00 0.00 N ATOM 302 CA GLY A 22 -3.457 -10.879 7.157 1.00 0.00 C ATOM 303 C GLY A 22 -2.506 -10.466 6.051 1.00 0.00 C ATOM 304 O GLY A 22 -1.472 -11.103 5.841 1.00 0.00 O ATOM 0 H GLY A 22 -3.756 -12.804 7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.348 -10.252 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.984 -10.702 8.123 1.00 0.00 H new ATOM 308 N LEU A 23 -2.854 -9.399 5.341 1.00 0.00 N ATOM 309 CA LEU A 23 -2.024 -8.903 4.249 1.00 0.00 C ATOM 310 C LEU A 23 -0.564 -8.800 4.678 1.00 0.00 C ATOM 311 O LEU A 23 0.345 -8.917 3.856 1.00 0.00 O ATOM 312 CB LEU A 23 -2.527 -7.536 3.780 1.00 0.00 C ATOM 313 CG LEU A 23 -2.292 -7.203 2.306 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.471 -5.713 2.061 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.905 -7.655 1.873 1.00 0.00 C ATOM 0 H LEU A 23 -3.705 -8.861 5.502 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.092 -9.611 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.597 -7.477 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.048 -6.767 4.386 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.030 -7.739 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.300 -5.494 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.485 -5.419 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.757 -5.156 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.754 -7.410 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.152 -7.147 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.814 -8.732 2.012 1.00 0.00 H new ATOM 327 N GLY A 24 -0.346 -8.582 5.971 1.00 0.00 N ATOM 328 CA GLY A 24 1.006 -8.470 6.487 1.00 0.00 C ATOM 329 C GLY A 24 1.706 -7.214 6.008 1.00 0.00 C ATOM 330 O GLY A 24 2.726 -7.286 5.322 1.00 0.00 O ATOM 0 H GLY A 24 -1.081 -8.481 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.977 -8.473 7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.582 -9.343 6.181 1.00 0.00 H new ATOM 334 N VAL A 25 1.158 -6.058 6.369 1.00 0.00 N ATOM 335 CA VAL A 25 1.737 -4.780 5.971 1.00 0.00 C ATOM 336 C VAL A 25 1.386 -3.684 6.971 1.00 0.00 C ATOM 337 O VAL A 25 0.214 -3.424 7.237 1.00 0.00 O ATOM 338 CB VAL A 25 1.254 -4.357 4.571 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.977 -5.151 3.494 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.253 -4.531 4.453 1.00 0.00 C ATOM 0 H VAL A 25 0.314 -5.980 6.936 1.00 0.00 H new ATOM 0 HA VAL A 25 2.818 -4.915 5.948 1.00 0.00 H new ATOM 0 HB VAL A 25 1.487 -3.302 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.623 -4.838 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.049 -4.971 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.778 -6.214 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.577 -4.228 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.512 -5.577 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.750 -3.913 5.201 1.00 0.00 H new ATOM 350 N ALA A 26 2.412 -3.042 7.521 1.00 0.00 N ATOM 351 CA ALA A 26 2.213 -1.971 8.489 1.00 0.00 C ATOM 352 C ALA A 26 2.389 -0.603 7.839 1.00 0.00 C ATOM 353 O ALA A 26 3.496 -0.225 7.454 1.00 0.00 O ATOM 354 CB ALA A 26 3.176 -2.130 9.657 1.00 0.00 C ATOM 0 H ALA A 26 3.389 -3.245 7.312 1.00 0.00 H new ATOM 0 HA ALA A 26 1.191 -2.038 8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.016 -1.323 10.372 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.000 -3.088 10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.202 -2.092 9.290 1.00 0.00 H new ATOM 360 N LEU A 27 1.291 0.135 7.718 1.00 0.00 N ATOM 361 CA LEU A 27 1.324 1.462 7.113 1.00 0.00 C ATOM 362 C LEU A 27 1.097 2.544 8.163 1.00 0.00 C ATOM 363 O LEU A 27 0.581 2.274 9.248 1.00 0.00 O ATOM 364 CB LEU A 27 0.263 1.570 6.016 1.00 0.00 C ATOM 365 CG LEU A 27 0.138 0.365 5.083 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.272 0.270 4.520 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.158 0.454 3.957 1.00 0.00 C ATOM 0 H LEU A 27 0.367 -0.163 8.031 1.00 0.00 H new ATOM 0 HA LEU A 27 2.310 1.610 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.704 1.740 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.482 2.451 5.412 1.00 0.00 H new ATOM 0 HG LEU A 27 0.340 -0.538 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.342 -0.593 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.984 0.159 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.502 1.176 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.054 -0.412 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.988 1.365 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.163 0.473 4.378 1.00 0.00 H new ATOM 379 N VAL A 28 1.485 3.772 7.833 1.00 0.00 N ATOM 380 CA VAL A 28 1.322 4.897 8.746 1.00 0.00 C ATOM 381 C VAL A 28 0.773 6.120 8.019 1.00 0.00 C ATOM 382 O VAL A 28 0.724 6.152 6.790 1.00 0.00 O ATOM 383 CB VAL A 28 2.655 5.271 9.421 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.909 4.382 10.629 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.801 5.173 8.426 1.00 0.00 C ATOM 0 H VAL A 28 1.915 4.013 6.940 1.00 0.00 H new ATOM 0 HA VAL A 28 0.612 4.583 9.511 1.00 0.00 H new ATOM 0 HB VAL A 28 2.591 6.303 9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.855 4.661 11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.101 4.507 11.349 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.954 3.340 10.311 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.735 5.441 8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.869 4.153 8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.621 5.856 7.595 1.00 0.00 H new ATOM 395 N GLU A 29 0.362 7.124 8.787 1.00 0.00 N ATOM 396 CA GLU A 29 -0.184 8.349 8.215 1.00 0.00 C ATOM 397 C GLU A 29 0.929 9.343 7.896 1.00 0.00 C ATOM 398 O GLU A 29 1.607 9.842 8.795 1.00 0.00 O ATOM 399 CB GLU A 29 -1.190 8.984 9.178 1.00 0.00 C ATOM 400 CG GLU A 29 -0.596 9.340 10.530 1.00 0.00 C ATOM 401 CD GLU A 29 -0.013 10.740 10.561 1.00 0.00 C ATOM 402 OE1 GLU A 29 -0.495 11.601 9.796 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.926 10.974 11.350 1.00 0.00 O ATOM 0 H GLU A 29 0.397 7.113 9.806 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.694 8.091 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.598 9.885 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.023 8.296 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.367 9.255 11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.183 8.620 10.781 1.00 0.00 H new ATOM 522 N THR A 38 -0.220 11.006 2.151 1.00 0.00 N ATOM 523 CA THR A 38 0.249 9.843 1.409 1.00 0.00 C ATOM 524 C THR A 38 0.406 8.634 2.325 1.00 0.00 C ATOM 525 O THR A 38 0.479 8.774 3.545 1.00 0.00 O ATOM 526 CB THR A 38 1.595 10.124 0.715 1.00 0.00 C ATOM 527 OG1 THR A 38 2.572 10.523 1.683 1.00 0.00 O ATOM 528 CG2 THR A 38 1.443 11.212 -0.338 1.00 0.00 C ATOM 0 HA THR A 38 -0.504 9.627 0.651 1.00 0.00 H new ATOM 0 HB THR A 38 1.924 9.208 0.224 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.144 11.071 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.406 11.394 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.720 10.893 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.093 12.130 0.135 1.00 0.00 H new ATOM 536 N ALA A 39 0.458 7.448 1.728 1.00 0.00 N ATOM 537 CA ALA A 39 0.609 6.215 2.490 1.00 0.00 C ATOM 538 C ALA A 39 2.042 5.698 2.419 1.00 0.00 C ATOM 539 O ALA A 39 2.621 5.591 1.339 1.00 0.00 O ATOM 540 CB ALA A 39 -0.361 5.158 1.982 1.00 0.00 C ATOM 0 H ALA A 39 0.398 7.315 0.718 1.00 0.00 H new ATOM 0 HA ALA A 39 0.380 6.432 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.237 4.242 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.383 5.520 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.158 4.953 0.931 1.00 0.00 H new ATOM 546 N VAL A 40 2.609 5.379 3.579 1.00 0.00 N ATOM 547 CA VAL A 40 3.974 4.873 3.648 1.00 0.00 C ATOM 548 C VAL A 40 4.054 3.624 4.519 1.00 0.00 C ATOM 549 O VAL A 40 3.453 3.564 5.592 1.00 0.00 O ATOM 550 CB VAL A 40 4.939 5.936 4.206 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.384 5.510 3.993 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.673 7.288 3.560 1.00 0.00 C ATOM 0 H VAL A 40 2.144 5.462 4.483 1.00 0.00 H new ATOM 0 HA VAL A 40 4.270 4.622 2.629 1.00 0.00 H new ATOM 0 HB VAL A 40 4.767 6.031 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.051 6.273 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.564 4.565 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.573 5.386 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.364 8.027 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.816 7.211 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.648 7.596 3.769 1.00 0.00 H new ATOM 562 N ILE A 41 4.799 2.629 4.049 1.00 0.00 N ATOM 563 CA ILE A 41 4.958 1.381 4.786 1.00 0.00 C ATOM 564 C ILE A 41 5.834 1.579 6.019 1.00 0.00 C ATOM 565 O ILE A 41 7.054 1.704 5.913 1.00 0.00 O ATOM 566 CB ILE A 41 5.575 0.281 3.903 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.716 0.055 2.657 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.723 -1.011 4.692 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.400 -0.776 1.594 1.00 0.00 C ATOM 0 H ILE A 41 5.302 2.663 3.162 1.00 0.00 H new ATOM 0 HA ILE A 41 3.961 1.069 5.098 1.00 0.00 H new ATOM 0 HB ILE A 41 6.566 0.605 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.788 -0.436 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.445 1.022 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.161 -1.779 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.372 -0.840 5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.743 -1.341 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.733 -0.895 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.314 -0.276 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.647 -1.756 2.001 1.00 0.00 H new ATOM 581 N ALA A 42 5.203 1.604 7.188 1.00 0.00 N ATOM 582 CA ALA A 42 5.925 1.782 8.442 1.00 0.00 C ATOM 583 C ALA A 42 6.772 0.556 8.767 1.00 0.00 C ATOM 584 O ALA A 42 7.875 0.675 9.298 1.00 0.00 O ATOM 585 CB ALA A 42 4.951 2.068 9.575 1.00 0.00 C ATOM 0 H ALA A 42 4.193 1.503 7.293 1.00 0.00 H new ATOM 0 HA ALA A 42 6.595 2.634 8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.503 2.199 10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.392 2.977 9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.258 1.233 9.679 1.00 0.00 H new ATOM 591 N ASN A 43 6.248 -0.622 8.444 1.00 0.00 N ATOM 592 CA ASN A 43 6.956 -1.870 8.703 1.00 0.00 C ATOM 593 C ASN A 43 6.290 -3.034 7.975 1.00 0.00 C ATOM 594 O ASN A 43 5.108 -2.974 7.635 1.00 0.00 O ATOM 595 CB ASN A 43 7.001 -2.153 10.206 1.00 0.00 C ATOM 596 CG ASN A 43 8.153 -3.062 10.589 1.00 0.00 C ATOM 597 OD1 ASN A 43 7.945 -4.174 11.076 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.375 -2.592 10.370 1.00 0.00 N ATOM 0 H ASN A 43 5.336 -0.738 8.003 1.00 0.00 H new ATOM 0 HA ASN A 43 7.975 -1.765 8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.089 -1.211 10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.062 -2.612 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.189 -3.158 10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.500 -1.664 9.964 1.00 0.00 H new ATOM 605 N LEU A 44 7.057 -4.093 7.740 1.00 0.00 N ATOM 606 CA LEU A 44 6.542 -5.273 7.053 1.00 0.00 C ATOM 607 C LEU A 44 6.890 -6.545 7.819 1.00 0.00 C ATOM 608 O LEU A 44 7.856 -6.577 8.584 1.00 0.00 O ATOM 609 CB LEU A 44 7.108 -5.348 5.633 1.00 0.00 C ATOM 610 CG LEU A 44 6.603 -4.289 4.653 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.049 -4.617 3.236 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.087 -4.176 4.724 1.00 0.00 C ATOM 0 H LEU A 44 8.037 -4.159 8.015 1.00 0.00 H new ATOM 0 HA LEU A 44 5.457 -5.188 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.194 -5.272 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.879 -6.332 5.224 1.00 0.00 H new ATOM 0 HG LEU A 44 7.033 -3.327 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.680 -3.852 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.138 -4.646 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.649 -5.588 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.745 -3.417 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.638 -5.136 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.790 -3.893 5.734 1.00 0.00 H new ATOM 624 N LEU A 45 6.100 -7.591 7.608 1.00 0.00 N ATOM 625 CA LEU A 45 6.326 -8.868 8.278 1.00 0.00 C ATOM 626 C LEU A 45 7.035 -9.851 7.351 1.00 0.00 C ATOM 627 O LEU A 45 6.426 -10.409 6.438 1.00 0.00 O ATOM 628 CB LEU A 45 4.997 -9.461 8.749 1.00 0.00 C ATOM 629 CG LEU A 45 5.079 -10.451 9.911 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.725 -10.589 10.591 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.573 -11.806 9.424 1.00 0.00 C ATOM 0 H LEU A 45 5.297 -7.581 6.979 1.00 0.00 H new ATOM 0 HA LEU A 45 6.964 -8.689 9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.340 -8.642 9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.525 -9.962 7.904 1.00 0.00 H new ATOM 0 HG LEU A 45 5.792 -10.067 10.640 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.803 -11.298 11.416 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.410 -9.619 10.975 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.991 -10.950 9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.625 -12.498 10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.884 -12.197 8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.564 -11.695 8.983 1.00 0.00 H new ATOM 643 N HIS A 46 8.325 -10.059 7.594 1.00 0.00 N ATOM 644 CA HIS A 46 9.117 -10.977 6.783 1.00 0.00 C ATOM 645 C HIS A 46 8.449 -12.347 6.705 1.00 0.00 C ATOM 646 O HIS A 46 8.730 -13.232 7.511 1.00 0.00 O ATOM 647 CB HIS A 46 10.526 -11.116 7.360 1.00 0.00 C ATOM 648 CG HIS A 46 11.446 -10.000 6.969 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.170 -9.123 5.942 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.643 -9.622 7.475 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.159 -8.253 5.831 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.065 -8.534 6.751 1.00 0.00 N ATOM 0 H HIS A 46 8.844 -9.605 8.345 1.00 0.00 H new ATOM 0 HA HIS A 46 9.184 -10.567 5.775 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.462 -11.159 8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.954 -12.062 7.028 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.168 -10.089 8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.217 -7.450 5.111 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.937 -8.025 6.899 1.00 0.00 H new ATOM 660 N GLY A 47 7.563 -12.513 5.727 1.00 0.00 N ATOM 661 CA GLY A 47 6.869 -13.777 5.563 1.00 0.00 C ATOM 662 C GLY A 47 5.451 -13.598 5.059 1.00 0.00 C ATOM 663 O GLY A 47 4.811 -14.557 4.629 1.00 0.00 O ATOM 0 H GLY A 47 7.314 -11.795 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.423 -14.404 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.849 -14.303 6.517 1.00 0.00 H new ATOM 667 N GLY A 48 4.956 -12.365 5.112 1.00 0.00 N ATOM 668 CA GLY A 48 3.607 -12.086 4.656 1.00 0.00 C ATOM 669 C GLY A 48 3.469 -12.201 3.151 1.00 0.00 C ATOM 670 O GLY A 48 4.453 -12.341 2.424 1.00 0.00 O ATOM 0 H GLY A 48 5.466 -11.554 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.914 -12.778 5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.322 -11.081 4.968 1.00 0.00 H new ATOM 674 N PRO A 49 2.221 -12.144 2.661 1.00 0.00 N ATOM 675 CA PRO A 49 1.928 -12.242 1.228 1.00 0.00 C ATOM 676 C PRO A 49 2.393 -11.012 0.456 1.00 0.00 C ATOM 677 O PRO A 49 2.609 -11.072 -0.754 1.00 0.00 O ATOM 678 CB PRO A 49 0.402 -12.355 1.185 1.00 0.00 C ATOM 679 CG PRO A 49 -0.062 -11.701 2.441 1.00 0.00 C ATOM 680 CD PRO A 49 1.001 -11.978 3.469 1.00 0.00 C ATOM 0 HA PRO A 49 2.445 -13.082 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.007 -11.858 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.083 -13.396 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.195 -10.629 2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.025 -12.102 2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.098 -11.156 4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.777 -12.874 4.047 1.00 0.00 H new ATOM 688 N ALA A 50 2.545 -9.897 1.164 1.00 0.00 N ATOM 689 CA ALA A 50 2.987 -8.654 0.544 1.00 0.00 C ATOM 690 C ALA A 50 4.501 -8.500 0.641 1.00 0.00 C ATOM 691 O ALA A 50 5.142 -7.995 -0.280 1.00 0.00 O ATOM 692 CB ALA A 50 2.292 -7.465 1.192 1.00 0.00 C ATOM 0 H ALA A 50 2.369 -9.829 2.166 1.00 0.00 H new ATOM 0 HA ALA A 50 2.718 -8.688 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.631 -6.543 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.214 -7.561 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.533 -7.438 2.255 1.00 0.00 H new ATOM 698 N GLU A 51 5.066 -8.939 1.762 1.00 0.00 N ATOM 699 CA GLU A 51 6.505 -8.847 1.978 1.00 0.00 C ATOM 700 C GLU A 51 7.239 -9.954 1.226 1.00 0.00 C ATOM 701 O GLU A 51 8.309 -9.730 0.660 1.00 0.00 O ATOM 702 CB GLU A 51 6.825 -8.932 3.472 1.00 0.00 C ATOM 703 CG GLU A 51 8.312 -9.016 3.772 1.00 0.00 C ATOM 704 CD GLU A 51 9.105 -7.906 3.108 1.00 0.00 C ATOM 705 OE1 GLU A 51 9.042 -6.759 3.596 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.788 -8.187 2.101 1.00 0.00 O ATOM 0 H GLU A 51 4.549 -9.361 2.533 1.00 0.00 H new ATOM 0 HA GLU A 51 6.844 -7.884 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.410 -8.058 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.328 -9.806 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.464 -8.971 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.693 -9.981 3.436 1.00 0.00 H new ATOM 713 N ARG A 52 6.656 -11.149 1.227 1.00 0.00 N ATOM 714 CA ARG A 52 7.255 -12.291 0.547 1.00 0.00 C ATOM 715 C ARG A 52 7.704 -11.911 -0.862 1.00 0.00 C ATOM 716 O ARG A 52 8.662 -12.474 -1.391 1.00 0.00 O ATOM 717 CB ARG A 52 6.261 -13.451 0.481 1.00 0.00 C ATOM 718 CG ARG A 52 5.040 -13.159 -0.376 1.00 0.00 C ATOM 719 CD ARG A 52 4.325 -14.439 -0.782 1.00 0.00 C ATOM 720 NE ARG A 52 4.846 -14.985 -2.032 1.00 0.00 N ATOM 721 CZ ARG A 52 4.595 -16.218 -2.456 1.00 0.00 C ATOM 722 NH1 ARG A 52 3.833 -17.029 -1.735 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.106 -16.643 -3.605 1.00 0.00 N ATOM 0 H ARG A 52 5.770 -11.351 1.691 1.00 0.00 H new ATOM 0 HA ARG A 52 8.130 -12.603 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.769 -14.331 0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.935 -13.697 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.353 -12.516 0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.343 -12.611 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.432 -15.181 0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.259 -14.240 -0.890 1.00 0.00 H new ATOM 0 HE ARG A 52 5.435 -14.387 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.438 -16.706 -0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.642 -17.976 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.692 -16.022 -4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.913 -17.590 -3.930 1.00 0.00 H new ATOM 737 N SER A 53 7.004 -10.954 -1.462 1.00 0.00 N ATOM 738 CA SER A 53 7.328 -10.502 -2.810 1.00 0.00 C ATOM 739 C SER A 53 8.794 -10.093 -2.909 1.00 0.00 C ATOM 740 O SER A 53 9.442 -10.304 -3.933 1.00 0.00 O ATOM 741 CB SER A 53 6.431 -9.327 -3.206 1.00 0.00 C ATOM 742 OG SER A 53 6.995 -8.094 -2.795 1.00 0.00 O ATOM 0 H SER A 53 6.209 -10.477 -1.036 1.00 0.00 H new ATOM 0 HA SER A 53 7.153 -11.331 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.288 -9.323 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.446 -9.449 -2.754 1.00 0.00 H new ATOM 0 HG SER A 53 6.567 -7.799 -1.964 1.00 0.00 H new ATOM 748 N GLY A 54 9.311 -9.504 -1.835 1.00 0.00 N ATOM 749 CA GLY A 54 10.697 -9.073 -1.820 1.00 0.00 C ATOM 750 C GLY A 54 10.905 -7.761 -2.550 1.00 0.00 C ATOM 751 O GLY A 54 12.004 -7.208 -2.545 1.00 0.00 O ATOM 0 H GLY A 54 8.795 -9.318 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.030 -8.967 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.318 -9.842 -2.278 1.00 0.00 H new ATOM 755 N ALA A 55 9.846 -7.263 -3.181 1.00 0.00 N ATOM 756 CA ALA A 55 9.918 -6.008 -3.918 1.00 0.00 C ATOM 757 C ALA A 55 9.427 -4.842 -3.067 1.00 0.00 C ATOM 758 O ALA A 55 9.916 -3.719 -3.192 1.00 0.00 O ATOM 759 CB ALA A 55 9.108 -6.104 -5.203 1.00 0.00 C ATOM 0 H ALA A 55 8.929 -7.710 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 55 10.962 -5.824 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.170 -5.160 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.506 -6.905 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.066 -6.316 -4.962 1.00 0.00 H new ATOM 765 N LEU A 56 8.457 -5.115 -2.201 1.00 0.00 N ATOM 766 CA LEU A 56 7.899 -4.088 -1.328 1.00 0.00 C ATOM 767 C LEU A 56 8.608 -4.076 0.022 1.00 0.00 C ATOM 768 O LEU A 56 8.474 -5.009 0.813 1.00 0.00 O ATOM 769 CB LEU A 56 6.400 -4.321 -1.128 1.00 0.00 C ATOM 770 CG LEU A 56 5.573 -4.508 -2.400 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.291 -5.267 -2.097 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.261 -3.161 -3.036 1.00 0.00 C ATOM 0 H LEU A 56 8.041 -6.039 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 56 8.050 -3.119 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.271 -5.204 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.992 -3.475 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 56 6.158 -5.094 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.716 -5.390 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.536 -6.247 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.700 -4.708 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.672 -3.313 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.696 -2.549 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.192 -2.655 -3.291 1.00 0.00 H new ATOM 784 N SER A 57 9.362 -3.012 0.279 1.00 0.00 N ATOM 785 CA SER A 57 10.094 -2.879 1.533 1.00 0.00 C ATOM 786 C SER A 57 9.771 -1.552 2.213 1.00 0.00 C ATOM 787 O SER A 57 9.477 -0.557 1.549 1.00 0.00 O ATOM 788 CB SER A 57 11.600 -2.983 1.282 1.00 0.00 C ATOM 789 OG SER A 57 12.030 -2.008 0.347 1.00 0.00 O ATOM 0 H SER A 57 9.482 -2.230 -0.364 1.00 0.00 H new ATOM 0 HA SER A 57 9.785 -3.690 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.138 -2.853 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.842 -3.979 0.911 1.00 0.00 H new ATOM 0 HG SER A 57 12.996 -2.094 0.205 1.00 0.00 H new ATOM 795 N ILE A 58 9.826 -1.546 3.540 1.00 0.00 N ATOM 796 CA ILE A 58 9.540 -0.342 4.310 1.00 0.00 C ATOM 797 C ILE A 58 10.003 0.908 3.569 1.00 0.00 C ATOM 798 O ILE A 58 11.159 1.007 3.159 1.00 0.00 O ATOM 799 CB ILE A 58 10.216 -0.384 5.694 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.629 -1.517 6.538 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.055 0.951 6.404 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.257 -2.865 6.261 1.00 0.00 C ATOM 0 H ILE A 58 10.066 -2.361 4.104 1.00 0.00 H new ATOM 0 HA ILE A 58 8.459 -0.303 4.444 1.00 0.00 H new ATOM 0 HB ILE A 58 11.281 -0.573 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.756 -1.276 7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.557 -1.580 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.538 0.905 7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.517 1.738 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.995 1.169 6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.792 -3.620 6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.107 -3.128 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.325 -2.820 6.475 1.00 0.00 H new ATOM 814 N GLY A 59 9.093 1.862 3.403 1.00 0.00 N ATOM 815 CA GLY A 59 9.427 3.095 2.713 1.00 0.00 C ATOM 816 C GLY A 59 8.522 3.358 1.525 1.00 0.00 C ATOM 817 O GLY A 59 7.830 4.375 1.477 1.00 0.00 O ATOM 0 H GLY A 59 8.130 1.804 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.357 3.929 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.462 3.049 2.374 1.00 0.00 H new ATOM 821 N ASP A 60 8.528 2.441 0.564 1.00 0.00 N ATOM 822 CA ASP A 60 7.702 2.579 -0.629 1.00 0.00 C ATOM 823 C ASP A 60 6.366 3.233 -0.293 1.00 0.00 C ATOM 824 O ASP A 60 5.742 2.909 0.718 1.00 0.00 O ATOM 825 CB ASP A 60 7.468 1.212 -1.274 1.00 0.00 C ATOM 826 CG ASP A 60 8.749 0.418 -1.431 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.837 1.007 -1.261 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.665 -0.794 -1.724 1.00 0.00 O ATOM 0 H ASP A 60 9.096 1.594 0.588 1.00 0.00 H new ATOM 0 HA ASP A 60 8.231 3.219 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.764 0.643 -0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.007 1.349 -2.252 1.00 0.00 H new ATOM 833 N ARG A 61 5.932 4.155 -1.146 1.00 0.00 N ATOM 834 CA ARG A 61 4.671 4.856 -0.938 1.00 0.00 C ATOM 835 C ARG A 61 3.532 4.154 -1.672 1.00 0.00 C ATOM 836 O ARG A 61 3.670 3.771 -2.834 1.00 0.00 O ATOM 837 CB ARG A 61 4.784 6.305 -1.416 1.00 0.00 C ATOM 838 CG ARG A 61 4.491 6.482 -2.897 1.00 0.00 C ATOM 839 CD ARG A 61 3.016 6.756 -3.145 1.00 0.00 C ATOM 840 NE ARG A 61 2.714 8.185 -3.122 1.00 0.00 N ATOM 841 CZ ARG A 61 1.668 8.725 -3.738 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.829 7.959 -4.422 1.00 0.00 N ATOM 843 NH2 ARG A 61 1.460 10.033 -3.671 1.00 0.00 N ATOM 0 H ARG A 61 6.435 4.434 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 61 4.451 4.849 0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.094 6.923 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.789 6.670 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.086 7.306 -3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.791 5.585 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.727 6.340 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.420 6.247 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 61 3.340 8.802 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.986 6.953 -4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.027 8.376 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.103 10.625 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.657 10.447 -4.144 1.00 0.00 H new ATOM 857 N LEU A 62 2.407 3.988 -0.985 1.00 0.00 N ATOM 858 CA LEU A 62 1.243 3.332 -1.570 1.00 0.00 C ATOM 859 C LEU A 62 0.314 4.351 -2.224 1.00 0.00 C ATOM 860 O LEU A 62 0.097 5.440 -1.692 1.00 0.00 O ATOM 861 CB LEU A 62 0.483 2.547 -0.499 1.00 0.00 C ATOM 862 CG LEU A 62 -0.607 1.602 -1.007 1.00 0.00 C ATOM 863 CD1 LEU A 62 -0.809 0.450 -0.035 1.00 0.00 C ATOM 864 CD2 LEU A 62 -1.910 2.357 -1.220 1.00 0.00 C ATOM 0 H LEU A 62 2.276 4.299 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 62 1.594 2.642 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.203 1.964 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.027 3.258 0.190 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.288 1.191 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.588 -0.212 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.122 -0.107 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.106 0.842 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.674 1.669 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.234 2.796 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.757 3.147 -1.955 1.00 0.00 H new ATOM 876 N THR A 63 -0.233 3.989 -3.380 1.00 0.00 N ATOM 877 CA THR A 63 -1.139 4.871 -4.106 1.00 0.00 C ATOM 878 C THR A 63 -2.562 4.324 -4.098 1.00 0.00 C ATOM 879 O THR A 63 -3.529 5.085 -4.080 1.00 0.00 O ATOM 880 CB THR A 63 -0.684 5.066 -5.564 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.277 4.065 -6.400 1.00 0.00 O ATOM 882 CG2 THR A 63 0.832 4.992 -5.673 1.00 0.00 C ATOM 0 H THR A 63 -0.065 3.091 -3.834 1.00 0.00 H new ATOM 0 HA THR A 63 -1.120 5.834 -3.596 1.00 0.00 H new ATOM 0 HB THR A 63 -1.008 6.053 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.984 4.197 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.129 5.133 -6.712 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.280 5.773 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.175 4.017 -5.326 1.00 0.00 H new ATOM 890 N ALA A 64 -2.682 3.001 -4.110 1.00 0.00 N ATOM 891 CA ALA A 64 -3.988 2.352 -4.101 1.00 0.00 C ATOM 892 C ALA A 64 -3.856 0.856 -3.841 1.00 0.00 C ATOM 893 O ALA A 64 -2.748 0.320 -3.791 1.00 0.00 O ATOM 894 CB ALA A 64 -4.709 2.599 -5.418 1.00 0.00 C ATOM 0 H ALA A 64 -1.891 2.357 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.575 2.784 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.682 2.109 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.845 3.671 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.116 2.195 -6.239 1.00 0.00 H new ATOM 900 N ILE A 65 -4.992 0.186 -3.676 1.00 0.00 N ATOM 901 CA ILE A 65 -5.002 -1.249 -3.421 1.00 0.00 C ATOM 902 C ILE A 65 -6.008 -1.960 -4.320 1.00 0.00 C ATOM 903 O ILE A 65 -7.217 -1.852 -4.122 1.00 0.00 O ATOM 904 CB ILE A 65 -5.338 -1.557 -1.950 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.245 -1.011 -1.029 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.509 -3.055 -1.748 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.545 -1.198 0.442 1.00 0.00 C ATOM 0 H ILE A 65 -5.917 0.614 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.999 -1.616 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.278 -1.067 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.302 -1.505 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.108 0.051 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.746 -3.257 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.319 -3.417 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.584 -3.566 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.728 -0.788 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.471 -0.681 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.653 -2.261 0.659 1.00 0.00 H new ATOM 919 N ASN A 66 -5.498 -2.688 -5.308 1.00 0.00 N ATOM 920 CA ASN A 66 -6.352 -3.418 -6.238 1.00 0.00 C ATOM 921 C ASN A 66 -7.461 -2.520 -6.778 1.00 0.00 C ATOM 922 O ASN A 66 -8.523 -2.998 -7.175 1.00 0.00 O ATOM 923 CB ASN A 66 -6.961 -4.642 -5.550 1.00 0.00 C ATOM 924 CG ASN A 66 -7.980 -4.263 -4.493 1.00 0.00 C ATOM 925 OD1 ASN A 66 -9.003 -3.648 -4.793 1.00 0.00 O ATOM 926 ND2 ASN A 66 -7.704 -4.631 -3.247 1.00 0.00 N ATOM 0 H ASN A 66 -4.499 -2.788 -5.485 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.737 -3.748 -7.075 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.436 -5.277 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.167 -5.230 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.353 -4.405 -2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.843 -5.140 -3.044 1.00 0.00 H new ATOM 933 N GLY A 67 -7.206 -1.216 -6.791 1.00 0.00 N ATOM 934 CA GLY A 67 -8.191 -0.272 -7.285 1.00 0.00 C ATOM 935 C GLY A 67 -8.585 0.754 -6.241 1.00 0.00 C ATOM 936 O GLY A 67 -8.894 1.900 -6.570 1.00 0.00 O ATOM 0 H GLY A 67 -6.334 -0.796 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.792 0.240 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.079 -0.815 -7.610 1.00 0.00 H new ATOM 940 N THR A 68 -8.578 0.343 -4.977 1.00 0.00 N ATOM 941 CA THR A 68 -8.940 1.233 -3.881 1.00 0.00 C ATOM 942 C THR A 68 -7.974 2.408 -3.786 1.00 0.00 C ATOM 943 O THR A 68 -6.857 2.267 -3.288 1.00 0.00 O ATOM 944 CB THR A 68 -8.958 0.487 -2.534 1.00 0.00 C ATOM 945 OG1 THR A 68 -9.904 -0.587 -2.581 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.313 1.433 -1.396 1.00 0.00 C ATOM 0 H THR A 68 -8.325 -0.602 -4.687 1.00 0.00 H new ATOM 0 HA THR A 68 -9.942 1.606 -4.094 1.00 0.00 H new ATOM 0 HB THR A 68 -7.961 0.085 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.908 -1.057 -1.721 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.320 0.883 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.574 2.233 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.300 1.861 -1.573 1.00 0.00 H new ATOM 954 N SER A 69 -8.412 3.568 -4.265 1.00 0.00 N ATOM 955 CA SER A 69 -7.584 4.769 -4.236 1.00 0.00 C ATOM 956 C SER A 69 -7.359 5.239 -2.802 1.00 0.00 C ATOM 957 O SER A 69 -8.285 5.707 -2.137 1.00 0.00 O ATOM 958 CB SER A 69 -8.237 5.884 -5.054 1.00 0.00 C ATOM 959 OG SER A 69 -8.477 5.465 -6.386 1.00 0.00 O ATOM 0 H SER A 69 -9.335 3.702 -4.678 1.00 0.00 H new ATOM 0 HA SER A 69 -6.617 4.525 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.177 6.179 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.592 6.763 -5.056 1.00 0.00 H new ATOM 0 HG SER A 69 -8.896 6.195 -6.888 1.00 0.00 H new ATOM 965 N LEU A 70 -6.124 5.111 -2.331 1.00 0.00 N ATOM 966 CA LEU A 70 -5.775 5.523 -0.975 1.00 0.00 C ATOM 967 C LEU A 70 -5.086 6.884 -0.980 1.00 0.00 C ATOM 968 O LEU A 70 -4.864 7.483 0.073 1.00 0.00 O ATOM 969 CB LEU A 70 -4.867 4.480 -0.322 1.00 0.00 C ATOM 970 CG LEU A 70 -5.531 3.158 0.062 1.00 0.00 C ATOM 971 CD1 LEU A 70 -4.543 2.254 0.782 1.00 0.00 C ATOM 972 CD2 LEU A 70 -6.757 3.408 0.928 1.00 0.00 C ATOM 0 H LEU A 70 -5.347 4.725 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.696 5.605 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.044 4.266 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.431 4.918 0.575 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.852 2.657 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.034 1.318 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.696 2.047 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.190 2.748 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.217 2.455 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.460 3.931 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.474 4.017 0.377 1.00 0.00 H new ATOM 984 N VAL A 71 -4.750 7.368 -2.172 1.00 0.00 N ATOM 985 CA VAL A 71 -4.089 8.659 -2.314 1.00 0.00 C ATOM 986 C VAL A 71 -4.956 9.784 -1.761 1.00 0.00 C ATOM 987 O VAL A 71 -6.009 10.100 -2.313 1.00 0.00 O ATOM 988 CB VAL A 71 -3.756 8.960 -3.787 1.00 0.00 C ATOM 989 CG1 VAL A 71 -3.470 10.441 -3.979 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.577 8.117 -4.249 1.00 0.00 C ATOM 0 H VAL A 71 -4.925 6.885 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.162 8.604 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.621 8.700 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.237 10.634 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.346 11.021 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.622 10.731 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.355 8.342 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.705 8.344 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.825 7.060 -4.151 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.505 10.388 -0.665 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.252 11.472 -0.054 1.00 0.00 C ATOM 1002 C GLY A 72 -6.202 10.988 1.023 1.00 0.00 C ATOM 1003 O GLY A 72 -7.364 11.395 1.066 1.00 0.00 O ATOM 0 H GLY A 72 -3.636 10.146 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.555 12.191 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.818 11.998 -0.823 1.00 0.00 H new ATOM 1007 N LEU A 73 -5.710 10.114 1.894 1.00 0.00 N ATOM 1008 CA LEU A 73 -6.524 9.572 2.976 1.00 0.00 C ATOM 1009 C LEU A 73 -5.671 9.285 4.208 1.00 0.00 C ATOM 1010 O LEU A 73 -4.472 9.023 4.116 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.227 8.292 2.520 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.406 8.479 1.564 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -8.935 7.131 1.099 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -9.511 9.285 2.232 1.00 0.00 C ATOM 0 H LEU A 73 -4.752 9.766 1.872 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.274 10.317 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.491 7.649 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.582 7.761 3.404 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.057 9.031 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.774 7.284 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.144 6.588 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.268 6.553 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.342 9.408 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.857 8.760 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.126 10.265 2.515 1.00 0.00 H new ATOM 1026 N PRO A 74 -6.303 9.333 5.390 1.00 0.00 N ATOM 1027 CA PRO A 74 -5.622 9.079 6.663 1.00 0.00 C ATOM 1028 C PRO A 74 -5.224 7.616 6.825 1.00 0.00 C ATOM 1029 O PRO A 74 -5.622 6.762 6.031 1.00 0.00 O ATOM 1030 CB PRO A 74 -6.670 9.467 7.709 1.00 0.00 C ATOM 1031 CG PRO A 74 -7.978 9.296 7.018 1.00 0.00 C ATOM 1032 CD PRO A 74 -7.732 9.640 5.575 1.00 0.00 C ATOM 0 HA PRO A 74 -4.690 9.638 6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.603 8.831 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.532 10.494 8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.342 8.274 7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.736 9.948 7.451 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.360 9.049 4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.948 10.688 5.369 1.00 0.00 H new ATOM 1040 N LEU A 75 -4.438 7.332 7.858 1.00 0.00 N ATOM 1041 CA LEU A 75 -3.986 5.971 8.124 1.00 0.00 C ATOM 1042 C LEU A 75 -5.172 5.039 8.353 1.00 0.00 C ATOM 1043 O LEU A 75 -5.183 3.905 7.876 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.063 5.949 9.343 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.917 4.601 10.051 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.175 3.612 9.165 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.199 4.772 11.381 1.00 0.00 C ATOM 0 H LEU A 75 -4.101 8.026 8.525 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.434 5.620 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.073 6.281 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.431 6.678 10.065 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.913 4.205 10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.080 2.658 9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.730 3.467 8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.183 4.001 8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.104 3.803 11.871 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.207 5.190 11.208 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.770 5.446 12.019 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.169 5.526 9.084 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.361 4.739 9.373 1.00 0.00 C ATOM 1061 C ALA A 76 -7.936 4.128 8.099 1.00 0.00 C ATOM 1062 O ALA A 76 -8.151 2.918 8.022 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.406 5.599 10.067 1.00 0.00 C ATOM 0 H ALA A 76 -6.175 6.463 9.487 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.077 3.925 10.040 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.291 4.998 10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.998 5.983 11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.679 6.433 9.420 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.184 4.972 7.103 1.00 0.00 N ATOM 1070 CA ALA A 77 -8.733 4.514 5.833 1.00 0.00 C ATOM 1071 C ALA A 77 -7.940 3.332 5.286 1.00 0.00 C ATOM 1072 O ALA A 77 -8.501 2.272 5.007 1.00 0.00 O ATOM 1073 CB ALA A 77 -8.751 5.653 4.824 1.00 0.00 C ATOM 0 H ALA A 77 -8.013 5.976 7.151 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.756 4.181 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.163 5.296 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.368 6.467 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.735 6.013 4.663 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.634 3.522 5.134 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.763 2.471 4.618 1.00 0.00 C ATOM 1081 C CYS A 78 -5.739 1.273 5.562 1.00 0.00 C ATOM 1082 O CYS A 78 -5.523 0.140 5.134 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.345 3.008 4.419 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.241 4.417 3.291 1.00 0.00 S ATOM 0 H CYS A 78 -6.155 4.393 5.360 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.158 2.144 3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.940 3.301 5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.714 2.205 4.039 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.220 4.266 2.501 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.961 1.534 6.846 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.962 0.476 7.850 1.00 0.00 C ATOM 1092 C GLN A 79 -7.195 -0.410 7.706 1.00 0.00 C ATOM 1093 O GLN A 79 -7.107 -1.633 7.808 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.914 1.079 9.256 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.511 1.444 9.714 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.374 1.451 11.223 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.317 1.780 11.943 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.194 1.087 11.712 1.00 0.00 N ATOM 0 H GLN A 79 -6.142 2.467 7.216 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.075 -0.139 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.539 1.972 9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.344 0.369 9.962 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.799 0.735 9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.250 2.428 9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.439 0.822 11.079 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.042 1.073 12.721 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.343 0.215 7.468 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.593 -0.517 7.308 1.00 0.00 C ATOM 1109 C ALA A 80 -9.677 -1.164 5.930 1.00 0.00 C ATOM 1110 O ALA A 80 -10.314 -2.204 5.760 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.779 0.409 7.532 1.00 0.00 C ATOM 0 H ALA A 80 -8.433 1.227 7.382 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.620 -1.310 8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.706 -0.151 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.734 0.820 8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.748 1.222 6.807 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.032 -0.542 4.949 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.034 -1.059 3.586 1.00 0.00 C ATOM 1119 C ALA A 81 -7.986 -2.153 3.412 1.00 0.00 C ATOM 1120 O ALA A 81 -8.230 -3.161 2.750 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.792 0.069 2.594 1.00 0.00 C ATOM 0 H ALA A 81 -8.501 0.320 5.072 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.013 -1.496 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.796 -0.331 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.580 0.816 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.826 0.532 2.798 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.817 -1.947 4.011 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.731 -2.916 3.923 1.00 0.00 C ATOM 1129 C VAL A 82 -6.084 -4.204 4.658 1.00 0.00 C ATOM 1130 O VAL A 82 -5.604 -5.282 4.307 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.423 -2.348 4.504 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.512 -2.244 6.019 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.238 -3.207 4.088 1.00 0.00 C ATOM 0 H VAL A 82 -6.598 -1.117 4.563 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.585 -3.133 2.865 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.273 -1.345 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.579 -1.841 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.335 -1.583 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.686 -3.233 6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.322 -2.791 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.378 -4.223 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.164 -3.223 3.001 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.925 -4.085 5.680 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.342 -5.240 6.465 1.00 0.00 C ATOM 1145 C ARG A 83 -8.429 -6.027 5.740 1.00 0.00 C ATOM 1146 O ARG A 83 -8.492 -7.252 5.839 1.00 0.00 O ATOM 1147 CB ARG A 83 -7.849 -4.794 7.838 1.00 0.00 C ATOM 1148 CG ARG A 83 -9.340 -4.502 7.870 1.00 0.00 C ATOM 1149 CD ARG A 83 -9.815 -4.186 9.280 1.00 0.00 C ATOM 1150 NE ARG A 83 -8.953 -3.212 9.943 1.00 0.00 N ATOM 1151 CZ ARG A 83 -9.089 -2.855 11.215 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -10.047 -3.391 11.958 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -8.264 -1.962 11.747 1.00 0.00 N ATOM 0 H ARG A 83 -7.331 -3.200 5.984 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.476 -5.889 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.623 -5.570 8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.305 -3.900 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.561 -3.661 7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.889 -5.361 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.834 -3.801 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.843 -5.104 9.867 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.205 -2.782 9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.682 -4.079 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.149 -3.115 12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.524 -1.549 11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.370 -1.689 12.724 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.284 -5.314 5.013 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.369 -5.947 4.273 1.00 0.00 C ATOM 1169 C GLU A 84 -9.824 -6.925 3.237 1.00 0.00 C ATOM 1170 O GLU A 84 -10.499 -7.879 2.850 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.232 -4.887 3.585 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.265 -4.254 4.502 1.00 0.00 C ATOM 1173 CD GLU A 84 -12.865 -2.989 3.919 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -12.442 -2.586 2.815 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -13.757 -2.402 4.566 1.00 0.00 O ATOM 0 H GLU A 84 -9.246 -4.299 4.921 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.983 -6.502 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.584 -4.106 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.742 -5.341 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.061 -4.973 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.801 -4.023 5.461 1.00 0.00 H new ATOM 1182 N THR A 85 -8.595 -6.681 2.790 1.00 0.00 N ATOM 1183 CA THR A 85 -7.959 -7.539 1.798 1.00 0.00 C ATOM 1184 C THR A 85 -7.588 -8.891 2.397 1.00 0.00 C ATOM 1185 O THR A 85 -7.276 -9.837 1.674 1.00 0.00 O ATOM 1186 CB THR A 85 -6.691 -6.882 1.219 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.733 -6.664 2.260 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.026 -5.559 0.547 1.00 0.00 C ATOM 0 H THR A 85 -8.021 -5.897 3.099 1.00 0.00 H new ATOM 0 HA THR A 85 -8.683 -7.686 0.996 1.00 0.00 H new ATOM 0 HB THR A 85 -6.269 -7.555 0.472 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.981 -5.866 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.115 -5.114 0.146 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.733 -5.732 -0.264 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.470 -4.882 1.277 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.626 -8.976 3.722 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.296 -10.214 4.419 1.00 0.00 C ATOM 1198 C LYS A 86 -8.153 -11.369 3.911 1.00 0.00 C ATOM 1199 O LYS A 86 -7.823 -12.537 4.119 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.495 -10.043 5.927 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.240 -11.312 6.722 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.566 -11.122 8.194 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.184 -12.346 9.011 1.00 0.00 C ATOM 1204 NZ LYS A 86 -7.315 -12.100 10.474 1.00 0.00 N ATOM 0 H LYS A 86 -7.882 -8.202 4.335 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.250 -10.446 4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.828 -9.259 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.514 -9.705 6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.844 -12.124 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.196 -11.606 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.037 -10.249 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.632 -10.924 8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.818 -13.185 8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.157 -12.630 8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.045 -12.958 10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.691 -11.316 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.300 -11.854 10.698 1.00 0.00 H new ATOM 1218 N SER A 87 -9.252 -11.036 3.243 1.00 0.00 N ATOM 1219 CA SER A 87 -10.157 -12.046 2.707 1.00 0.00 C ATOM 1220 C SER A 87 -9.703 -12.504 1.325 1.00 0.00 C ATOM 1221 O SER A 87 -9.358 -13.669 1.129 1.00 0.00 O ATOM 1222 CB SER A 87 -11.583 -11.495 2.631 1.00 0.00 C ATOM 1223 OG SER A 87 -12.223 -11.561 3.893 1.00 0.00 O ATOM 0 H SER A 87 -9.538 -10.074 3.060 1.00 0.00 H new ATOM 0 HA SER A 87 -10.142 -12.905 3.378 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.559 -10.461 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.157 -12.063 1.899 1.00 0.00 H new ATOM 0 HG SER A 87 -13.132 -11.202 3.818 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.705 -11.579 0.371 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.294 -11.887 -0.993 1.00 0.00 C ATOM 1231 C GLN A 88 -7.965 -12.637 -1.005 1.00 0.00 C ATOM 1232 O GLN A 88 -7.062 -12.334 -0.224 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.176 -10.603 -1.816 1.00 0.00 C ATOM 1234 CG GLN A 88 -8.357 -9.518 -1.135 1.00 0.00 C ATOM 1235 CD GLN A 88 -8.418 -8.193 -1.871 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -7.456 -7.788 -2.523 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -9.553 -7.511 -1.769 1.00 0.00 N ATOM 0 H GLN A 88 -9.987 -10.610 0.518 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.056 -12.527 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.723 -10.839 -2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.175 -10.219 -2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.719 -9.380 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.319 -9.842 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.325 -7.885 -1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.653 -6.613 -2.242 1.00 0.00 H new ATOM 1246 N THR A 89 -7.852 -13.617 -1.896 1.00 0.00 N ATOM 1247 CA THR A 89 -6.635 -14.411 -2.008 1.00 0.00 C ATOM 1248 C THR A 89 -5.600 -13.710 -2.881 1.00 0.00 C ATOM 1249 O THR A 89 -4.490 -14.209 -3.067 1.00 0.00 O ATOM 1250 CB THR A 89 -6.926 -15.805 -2.596 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.645 -15.677 -3.827 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.731 -16.647 -1.617 1.00 0.00 C ATOM 0 H THR A 89 -8.589 -13.880 -2.551 1.00 0.00 H new ATOM 0 HA THR A 89 -6.238 -14.526 -0.999 1.00 0.00 H new ATOM 0 HB THR A 89 -5.974 -16.303 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.825 -16.567 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.925 -17.627 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.168 -16.767 -0.691 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.678 -16.151 -1.404 1.00 0.00 H new ATOM 1260 N SER A 90 -5.970 -12.550 -3.413 1.00 0.00 N ATOM 1261 CA SER A 90 -5.074 -11.781 -4.269 1.00 0.00 C ATOM 1262 C SER A 90 -5.085 -10.306 -3.882 1.00 0.00 C ATOM 1263 O SER A 90 -6.099 -9.780 -3.422 1.00 0.00 O ATOM 1264 CB SER A 90 -5.477 -11.938 -5.737 1.00 0.00 C ATOM 1265 OG SER A 90 -5.095 -13.208 -6.238 1.00 0.00 O ATOM 0 H SER A 90 -6.884 -12.122 -3.267 1.00 0.00 H new ATOM 0 HA SER A 90 -4.063 -12.166 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.555 -11.814 -5.837 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.009 -11.153 -6.332 1.00 0.00 H new ATOM 0 HG SER A 90 -5.365 -13.284 -7.177 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.950 -9.641 -4.072 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.828 -8.226 -3.744 1.00 0.00 C ATOM 1273 C VAL A 91 -2.781 -7.547 -4.621 1.00 0.00 C ATOM 1274 O VAL A 91 -1.617 -7.951 -4.644 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.452 -8.023 -2.264 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -3.215 -6.549 -1.971 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.536 -8.588 -1.358 1.00 0.00 C ATOM 0 H VAL A 91 -3.101 -10.060 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.802 -7.773 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.526 -8.562 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.950 -6.425 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.402 -6.180 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.123 -5.985 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.255 -8.436 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.479 -8.078 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.652 -9.654 -1.551 1.00 0.00 H new ATOM 1287 N THR A 92 -3.201 -6.512 -5.342 1.00 0.00 N ATOM 1288 CA THR A 92 -2.301 -5.777 -6.220 1.00 0.00 C ATOM 1289 C THR A 92 -2.000 -4.390 -5.663 1.00 0.00 C ATOM 1290 O THR A 92 -2.840 -3.491 -5.720 1.00 0.00 O ATOM 1291 CB THR A 92 -2.891 -5.632 -7.636 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.504 -6.862 -8.039 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.812 -5.246 -8.635 1.00 0.00 C ATOM 0 H THR A 92 -4.160 -6.164 -5.335 1.00 0.00 H new ATOM 0 HA THR A 92 -1.376 -6.351 -6.277 1.00 0.00 H new ATOM 0 HB THR A 92 -3.642 -4.842 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.878 -6.762 -8.939 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.253 -5.150 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.368 -4.295 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.041 -6.016 -8.654 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.797 -4.222 -5.126 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.384 -2.943 -4.559 1.00 0.00 C ATOM 1303 C LEU A 93 0.219 -2.041 -5.631 1.00 0.00 C ATOM 1304 O LEU A 93 0.782 -2.521 -6.615 1.00 0.00 O ATOM 1305 CB LEU A 93 0.628 -3.164 -3.434 1.00 0.00 C ATOM 1306 CG LEU A 93 0.120 -3.937 -2.216 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.286 -4.443 -1.380 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.801 -3.064 -1.377 1.00 0.00 C ATOM 0 H LEU A 93 -0.090 -4.955 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.268 -2.452 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.487 -3.695 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.986 -2.191 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.449 -4.798 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.905 -4.990 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.907 -5.104 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.883 -3.597 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.153 -3.630 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.256 -2.184 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.654 -2.752 -1.979 1.00 0.00 H new ATOM 1320 N SER A 94 0.099 -0.732 -5.433 1.00 0.00 N ATOM 1321 CA SER A 94 0.631 0.237 -6.383 1.00 0.00 C ATOM 1322 C SER A 94 1.498 1.273 -5.674 1.00 0.00 C ATOM 1323 O SER A 94 1.085 1.867 -4.678 1.00 0.00 O ATOM 1324 CB SER A 94 -0.510 0.933 -7.127 1.00 0.00 C ATOM 1325 OG SER A 94 -1.172 0.035 -8.001 1.00 0.00 O ATOM 0 H SER A 94 -0.362 -0.318 -4.623 1.00 0.00 H new ATOM 0 HA SER A 94 1.250 -0.299 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.223 1.338 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.117 1.776 -7.696 1.00 0.00 H new ATOM 0 HG SER A 94 -1.898 0.504 -8.463 1.00 0.00 H new ATOM 1331 N ILE A 95 2.702 1.485 -6.196 1.00 0.00 N ATOM 1332 CA ILE A 95 3.627 2.450 -5.615 1.00 0.00 C ATOM 1333 C ILE A 95 4.286 3.300 -6.696 1.00 0.00 C ATOM 1334 O ILE A 95 4.303 2.927 -7.869 1.00 0.00 O ATOM 1335 CB ILE A 95 4.722 1.752 -4.788 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.673 0.982 -5.707 1.00 0.00 C ATOM 1337 CG2 ILE A 95 4.097 0.818 -3.761 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.850 1.804 -6.184 1.00 0.00 C ATOM 0 H ILE A 95 3.059 1.001 -7.020 1.00 0.00 H new ATOM 0 HA ILE A 95 3.041 3.093 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 95 5.295 2.512 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.044 0.104 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.117 0.622 -6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.884 0.332 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.457 1.391 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.502 0.061 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.481 1.194 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.488 2.669 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.430 2.142 -5.325 1.00 0.00 H new ATOM 1350 N VAL A 96 4.829 4.444 -6.292 1.00 0.00 N ATOM 1351 CA VAL A 96 5.492 5.347 -7.225 1.00 0.00 C ATOM 1352 C VAL A 96 6.959 4.972 -7.404 1.00 0.00 C ATOM 1353 O VAL A 96 7.723 4.935 -6.439 1.00 0.00 O ATOM 1354 CB VAL A 96 5.401 6.810 -6.752 1.00 0.00 C ATOM 1355 CG1 VAL A 96 5.923 7.752 -7.826 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.970 7.159 -6.374 1.00 0.00 C ATOM 0 H VAL A 96 4.823 4.767 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 96 4.976 5.250 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 96 6.025 6.927 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.851 8.781 -7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.965 7.515 -8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.328 7.636 -8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.924 8.196 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.322 7.026 -7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.637 6.505 -5.568 1.00 0.00 H new