USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 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 HE2:sc= -5.1! C(o=-5.1!,f=-6.1!) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 66 ASN : amide:sc= -1.13 K(o=-3.2,f=-2.5) USER MOD Set 2.2: A 88 GLN : amide:sc= -2.04 K(o=-3.2,f=-4.1) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -171:sc= -3.28 (180deg=-3.86!) USER MOD Set 3.2: A 85 THR OG1 : rot -72:sc= 0.695 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.027) USER MOD Single : A 46 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-1.4) USER MOD Single : A 53 SER OG : rot -98:sc= 1.2 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -60:sc= 1.24 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0894 USER MOD Single : A 78 CYS SG : rot 170:sc= -0.0516 USER MOD Single : A 79 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.73) 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= 0.0528 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 3.594 1.361 -10.529 1.00 0.00 N ATOM 104 CA ARG A 11 3.886 -0.044 -10.787 1.00 0.00 C ATOM 105 C ARG A 11 2.867 -0.947 -10.099 1.00 0.00 C ATOM 106 O ARG A 11 2.575 -0.779 -8.915 1.00 0.00 O ATOM 107 CB ARG A 11 5.297 -0.390 -10.307 1.00 0.00 C ATOM 108 CG ARG A 11 5.899 -1.599 -11.005 1.00 0.00 C ATOM 109 CD ARG A 11 6.940 -2.283 -10.134 1.00 0.00 C ATOM 110 NE ARG A 11 7.306 -3.599 -10.650 1.00 0.00 N ATOM 111 CZ ARG A 11 8.048 -3.783 -11.736 1.00 0.00 C ATOM 112 NH1 ARG A 11 8.501 -2.739 -12.417 1.00 0.00 N ATOM 113 NH2 ARG A 11 8.338 -5.012 -12.143 1.00 0.00 N ATOM 0 HA ARG A 11 3.824 -0.210 -11.862 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.947 0.471 -10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.271 -0.577 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.109 -2.307 -11.254 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.356 -1.288 -11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.830 -1.657 -10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.553 -2.386 -9.120 1.00 0.00 H new ATOM 0 HE ARG A 11 6.973 -4.423 -10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.280 -1.793 -12.107 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.071 -2.882 -13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.991 -5.817 -11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.908 -5.152 -12.977 1.00 0.00 H new ATOM 127 N GLU A 12 2.330 -1.904 -10.849 1.00 0.00 N ATOM 128 CA GLU A 12 1.342 -2.832 -10.311 1.00 0.00 C ATOM 129 C GLU A 12 2.012 -4.108 -9.808 1.00 0.00 C ATOM 130 O GLU A 12 2.695 -4.802 -10.561 1.00 0.00 O ATOM 131 CB GLU A 12 0.299 -3.177 -11.376 1.00 0.00 C ATOM 132 CG GLU A 12 -1.068 -3.512 -10.803 1.00 0.00 C ATOM 133 CD GLU A 12 -2.181 -3.357 -11.821 1.00 0.00 C ATOM 134 OE1 GLU A 12 -2.000 -3.808 -12.972 1.00 0.00 O ATOM 135 OE2 GLU A 12 -3.233 -2.786 -11.466 1.00 0.00 O ATOM 0 H GLU A 12 2.562 -2.057 -11.830 1.00 0.00 H new ATOM 0 HA GLU A 12 0.845 -2.346 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.200 -2.335 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.656 -4.025 -11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.061 -4.537 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.269 -2.865 -9.949 1.00 0.00 H new ATOM 142 N VAL A 13 1.812 -4.410 -8.529 1.00 0.00 N ATOM 143 CA VAL A 13 2.395 -5.601 -7.924 1.00 0.00 C ATOM 144 C VAL A 13 1.315 -6.510 -7.348 1.00 0.00 C ATOM 145 O VAL A 13 0.766 -6.238 -6.280 1.00 0.00 O ATOM 146 CB VAL A 13 3.391 -5.234 -6.808 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.215 -6.448 -6.407 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.292 -4.092 -7.254 1.00 0.00 C ATOM 0 H VAL A 13 1.250 -3.846 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 13 2.927 -6.130 -8.715 1.00 0.00 H new ATOM 0 HB VAL A 13 2.827 -4.903 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.913 -6.169 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.552 -7.234 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.771 -6.812 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.990 -3.845 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.849 -4.393 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.684 -3.218 -7.487 1.00 0.00 H new ATOM 158 N HIS A 14 1.016 -7.591 -8.061 1.00 0.00 N ATOM 159 CA HIS A 14 0.001 -8.541 -7.620 1.00 0.00 C ATOM 160 C HIS A 14 0.608 -9.594 -6.697 1.00 0.00 C ATOM 161 O HIS A 14 1.750 -10.016 -6.886 1.00 0.00 O ATOM 162 CB HIS A 14 -0.653 -9.218 -8.825 1.00 0.00 C ATOM 163 CG HIS A 14 -1.351 -8.262 -9.742 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.486 -8.594 -10.453 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.071 -6.977 -10.062 1.00 0.00 C ATOM 166 CE1 HIS A 14 -2.872 -7.555 -11.171 1.00 0.00 C ATOM 167 NE2 HIS A 14 -2.031 -6.561 -10.952 1.00 0.00 N ATOM 0 H HIS A 14 1.462 -7.831 -8.946 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.759 -7.991 -7.065 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.110 -9.757 -9.387 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.370 -9.958 -8.471 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.954 -9.500 -10.428 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.247 -6.389 -9.687 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.730 -7.524 -11.826 1.00 0.00 H new ATOM 175 N LEU A 15 -0.161 -10.014 -5.699 1.00 0.00 N ATOM 176 CA LEU A 15 0.300 -11.017 -4.746 1.00 0.00 C ATOM 177 C LEU A 15 -0.741 -12.117 -4.567 1.00 0.00 C ATOM 178 O LEU A 15 -1.909 -11.941 -4.911 1.00 0.00 O ATOM 179 CB LEU A 15 0.608 -10.365 -3.397 1.00 0.00 C ATOM 180 CG LEU A 15 1.430 -9.076 -3.447 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.197 -8.247 -2.194 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.909 -9.393 -3.612 1.00 0.00 C ATOM 0 H LEU A 15 -1.108 -9.675 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 15 1.211 -11.466 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.336 -10.151 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.141 -11.088 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 15 1.106 -8.493 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.790 -7.334 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.140 -7.990 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.494 -8.822 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.479 -8.464 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.248 -9.996 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.061 -9.946 -4.539 1.00 0.00 H new ATOM 194 N GLU A 16 -0.308 -13.251 -4.023 1.00 0.00 N ATOM 195 CA GLU A 16 -1.204 -14.379 -3.796 1.00 0.00 C ATOM 196 C GLU A 16 -1.134 -14.847 -2.345 1.00 0.00 C ATOM 197 O GLU A 16 -0.151 -15.456 -1.924 1.00 0.00 O ATOM 198 CB GLU A 16 -0.852 -15.535 -4.734 1.00 0.00 C ATOM 199 CG GLU A 16 -1.136 -15.241 -6.197 1.00 0.00 C ATOM 200 CD GLU A 16 -1.455 -16.491 -6.993 1.00 0.00 C ATOM 201 OE1 GLU A 16 -2.337 -17.262 -6.561 1.00 0.00 O ATOM 202 OE2 GLU A 16 -0.821 -16.699 -8.050 1.00 0.00 O ATOM 0 H GLU A 16 0.656 -13.412 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.222 -14.049 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.205 -15.776 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.415 -16.419 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.973 -14.546 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.272 -14.745 -6.638 1.00 0.00 H new ATOM 209 N LYS A 17 -2.184 -14.556 -1.585 1.00 0.00 N ATOM 210 CA LYS A 17 -2.244 -14.946 -0.181 1.00 0.00 C ATOM 211 C LYS A 17 -3.357 -15.962 0.054 1.00 0.00 C ATOM 212 O LYS A 17 -4.127 -16.274 -0.854 1.00 0.00 O ATOM 213 CB LYS A 17 -2.465 -13.717 0.702 1.00 0.00 C ATOM 214 CG LYS A 17 -3.930 -13.398 0.944 1.00 0.00 C ATOM 215 CD LYS A 17 -4.097 -12.283 1.964 1.00 0.00 C ATOM 216 CE LYS A 17 -4.043 -10.913 1.306 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.243 -9.816 2.292 1.00 0.00 N ATOM 0 H LYS A 17 -3.006 -14.051 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.293 -15.408 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.973 -13.876 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.986 -12.855 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.400 -13.106 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.445 -14.293 1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.049 -12.402 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.313 -12.357 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.080 -10.785 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.809 -10.851 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.352 -8.912 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.098 -10.005 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.419 -9.763 2.924 1.00 0.00 H new ATOM 231 N ARG A 18 -3.438 -16.472 1.279 1.00 0.00 N ATOM 232 CA ARG A 18 -4.458 -17.452 1.633 1.00 0.00 C ATOM 233 C ARG A 18 -5.585 -16.800 2.429 1.00 0.00 C ATOM 234 O ARG A 18 -5.356 -15.863 3.195 1.00 0.00 O ATOM 235 CB ARG A 18 -3.840 -18.592 2.444 1.00 0.00 C ATOM 236 CG ARG A 18 -3.278 -19.715 1.586 1.00 0.00 C ATOM 237 CD ARG A 18 -3.256 -21.035 2.340 1.00 0.00 C ATOM 238 NE ARG A 18 -2.215 -21.931 1.844 1.00 0.00 N ATOM 239 CZ ARG A 18 -1.861 -23.056 2.456 1.00 0.00 C ATOM 240 NH1 ARG A 18 -2.461 -23.419 3.581 1.00 0.00 N ATOM 241 NH2 ARG A 18 -0.905 -23.819 1.943 1.00 0.00 N ATOM 0 H ARG A 18 -2.810 -16.223 2.043 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.874 -17.856 0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.043 -18.191 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.596 -19.001 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.880 -19.820 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.267 -19.460 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.095 -20.844 3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.227 -21.521 2.248 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.733 -21.680 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.196 -22.834 3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.188 -24.283 4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.441 -23.542 1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.634 -24.682 2.414 1.00 0.00 H new ATOM 255 N ARG A 19 -6.801 -17.301 2.242 1.00 0.00 N ATOM 256 CA ARG A 19 -7.964 -16.767 2.940 1.00 0.00 C ATOM 257 C ARG A 19 -7.700 -16.671 4.440 1.00 0.00 C ATOM 258 O ARG A 19 -7.466 -17.679 5.106 1.00 0.00 O ATOM 259 CB ARG A 19 -9.189 -17.646 2.683 1.00 0.00 C ATOM 260 CG ARG A 19 -10.495 -17.022 3.148 1.00 0.00 C ATOM 261 CD ARG A 19 -11.672 -17.513 2.321 1.00 0.00 C ATOM 262 NE ARG A 19 -11.694 -16.914 0.989 1.00 0.00 N ATOM 263 CZ ARG A 19 -12.764 -16.912 0.201 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.893 -17.474 0.610 1.00 0.00 N ATOM 265 NH2 ARG A 19 -12.706 -16.347 -0.997 1.00 0.00 N ATOM 0 H ARG A 19 -7.007 -18.077 1.612 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.158 -15.765 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.257 -17.857 1.616 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.052 -18.602 3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.661 -17.263 4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.427 -15.936 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.623 -18.598 2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.602 -17.278 2.839 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.841 -16.473 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.942 -17.909 1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.713 -17.471 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.839 -15.913 -1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.528 -16.346 -1.601 1.00 0.00 H new ATOM 279 N GLY A 20 -7.738 -15.450 4.966 1.00 0.00 N ATOM 280 CA GLY A 20 -7.501 -15.244 6.383 1.00 0.00 C ATOM 281 C GLY A 20 -6.025 -15.167 6.718 1.00 0.00 C ATOM 282 O GLY A 20 -5.610 -15.546 7.813 1.00 0.00 O ATOM 0 H GLY A 20 -7.929 -14.600 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.991 -14.323 6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.956 -16.058 6.947 1.00 0.00 H new ATOM 286 N GLU A 21 -5.230 -14.677 5.772 1.00 0.00 N ATOM 287 CA GLU A 21 -3.790 -14.554 5.973 1.00 0.00 C ATOM 288 C GLU A 21 -3.380 -13.089 6.087 1.00 0.00 C ATOM 289 O GLU A 21 -3.495 -12.324 5.130 1.00 0.00 O ATOM 290 CB GLU A 21 -3.034 -15.219 4.822 1.00 0.00 C ATOM 291 CG GLU A 21 -1.523 -15.140 4.960 1.00 0.00 C ATOM 292 CD GLU A 21 -0.981 -16.104 5.998 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.038 -17.328 5.759 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.499 -15.632 7.050 1.00 0.00 O ATOM 0 H GLU A 21 -5.558 -14.359 4.860 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.534 -15.058 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.331 -16.266 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.330 -14.749 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.062 -15.353 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.239 -14.123 5.231 1.00 0.00 H new ATOM 301 N GLY A 22 -2.900 -12.704 7.266 1.00 0.00 N ATOM 302 CA GLY A 22 -2.481 -11.332 7.484 1.00 0.00 C ATOM 303 C GLY A 22 -1.623 -10.801 6.353 1.00 0.00 C ATOM 304 O GLY A 22 -0.487 -11.239 6.167 1.00 0.00 O ATOM 0 H GLY A 22 -2.794 -13.318 8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.362 -10.700 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.924 -11.270 8.419 1.00 0.00 H new ATOM 308 N LEU A 23 -2.166 -9.856 5.594 1.00 0.00 N ATOM 309 CA LEU A 23 -1.443 -9.265 4.473 1.00 0.00 C ATOM 310 C LEU A 23 0.025 -9.049 4.825 1.00 0.00 C ATOM 311 O LEU A 23 0.902 -9.165 3.970 1.00 0.00 O ATOM 312 CB LEU A 23 -2.084 -7.936 4.071 1.00 0.00 C ATOM 313 CG LEU A 23 -1.951 -7.544 2.599 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.278 -6.071 2.406 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.551 -7.853 2.089 1.00 0.00 C ATOM 0 H LEU A 23 -3.105 -9.482 5.734 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.498 -9.957 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.144 -7.977 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.644 -7.145 4.678 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.664 -8.131 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.178 -5.811 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.301 -5.880 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.590 -5.465 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.475 -7.568 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.180 -7.293 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.354 -8.920 2.190 1.00 0.00 H new ATOM 327 N GLY A 24 0.285 -8.737 6.091 1.00 0.00 N ATOM 328 CA GLY A 24 1.649 -8.512 6.534 1.00 0.00 C ATOM 329 C GLY A 24 2.208 -7.191 6.043 1.00 0.00 C ATOM 330 O GLY A 24 3.204 -7.160 5.320 1.00 0.00 O ATOM 0 H GLY A 24 -0.424 -8.636 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.682 -8.535 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.282 -9.325 6.179 1.00 0.00 H new ATOM 334 N VAL A 25 1.564 -6.096 6.435 1.00 0.00 N ATOM 335 CA VAL A 25 2.003 -4.766 6.030 1.00 0.00 C ATOM 336 C VAL A 25 1.611 -3.719 7.066 1.00 0.00 C ATOM 337 O VAL A 25 0.428 -3.483 7.309 1.00 0.00 O ATOM 338 CB VAL A 25 1.407 -4.370 4.666 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.181 -5.028 3.534 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.067 -4.740 4.601 1.00 0.00 C ATOM 0 H VAL A 25 0.737 -6.104 7.032 1.00 0.00 H new ATOM 0 HA VAL A 25 3.089 -4.803 5.947 1.00 0.00 H new ATOM 0 HB VAL A 25 1.492 -3.289 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.746 -4.737 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.222 -4.708 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.131 -6.112 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.472 -4.453 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.178 -5.816 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.609 -4.217 5.389 1.00 0.00 H new ATOM 350 N ALA A 26 2.613 -3.092 7.675 1.00 0.00 N ATOM 351 CA ALA A 26 2.373 -2.068 8.684 1.00 0.00 C ATOM 352 C ALA A 26 2.537 -0.670 8.097 1.00 0.00 C ATOM 353 O ALA A 26 3.650 -0.243 7.786 1.00 0.00 O ATOM 354 CB ALA A 26 3.313 -2.260 9.865 1.00 0.00 C ATOM 0 H ALA A 26 3.598 -3.276 7.487 1.00 0.00 H new ATOM 0 HA ALA A 26 1.345 -2.170 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.123 -1.488 10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.145 -3.242 10.308 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.346 -2.188 9.524 1.00 0.00 H new ATOM 360 N LEU A 27 1.423 0.037 7.946 1.00 0.00 N ATOM 361 CA LEU A 27 1.444 1.388 7.395 1.00 0.00 C ATOM 362 C LEU A 27 1.281 2.429 8.498 1.00 0.00 C ATOM 363 O LEU A 27 0.927 2.099 9.630 1.00 0.00 O ATOM 364 CB LEU A 27 0.333 1.553 6.355 1.00 0.00 C ATOM 365 CG LEU A 27 0.348 0.558 5.194 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.054 0.366 4.637 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.298 1.028 4.102 1.00 0.00 C ATOM 0 H LEU A 27 0.494 -0.302 8.197 1.00 0.00 H new ATOM 0 HA LEU A 27 2.410 1.543 6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.628 1.473 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.394 2.561 5.944 1.00 0.00 H new ATOM 0 HG LEU A 27 0.702 -0.402 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.023 -0.345 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.708 -0.016 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.437 1.321 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.296 0.308 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.973 2.000 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.306 1.113 4.508 1.00 0.00 H new ATOM 379 N VAL A 28 1.541 3.688 8.160 1.00 0.00 N ATOM 380 CA VAL A 28 1.421 4.778 9.121 1.00 0.00 C ATOM 381 C VAL A 28 0.877 6.038 8.457 1.00 0.00 C ATOM 382 O VAL A 28 0.549 6.034 7.271 1.00 0.00 O ATOM 383 CB VAL A 28 2.777 5.101 9.776 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.107 4.079 10.853 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.877 5.154 8.726 1.00 0.00 C ATOM 0 H VAL A 28 1.836 3.978 7.228 1.00 0.00 H new ATOM 0 HA VAL A 28 0.724 4.446 9.891 1.00 0.00 H new ATOM 0 HB VAL A 28 2.708 6.081 10.247 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.069 4.324 11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.332 4.095 11.619 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.157 3.085 10.408 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.828 5.383 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.948 4.189 8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.644 5.928 7.994 1.00 0.00 H new ATOM 395 N GLU A 29 0.785 7.115 9.230 1.00 0.00 N ATOM 396 CA GLU A 29 0.280 8.383 8.716 1.00 0.00 C ATOM 397 C GLU A 29 1.405 9.406 8.590 1.00 0.00 C ATOM 398 O GLU A 29 1.950 9.871 9.591 1.00 0.00 O ATOM 399 CB GLU A 29 -0.819 8.928 9.631 1.00 0.00 C ATOM 400 CG GLU A 29 -1.754 9.907 8.942 1.00 0.00 C ATOM 401 CD GLU A 29 -3.037 10.134 9.718 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.957 10.598 10.874 1.00 0.00 O ATOM 403 OE2 GLU A 29 -4.121 9.848 9.167 1.00 0.00 O ATOM 0 H GLU A 29 1.053 7.135 10.214 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.137 8.204 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.403 8.094 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.357 9.421 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.242 10.860 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.997 9.533 7.947 1.00 0.00 H new ATOM 522 N THR A 38 0.422 10.985 2.267 1.00 0.00 N ATOM 523 CA THR A 38 0.703 9.774 1.506 1.00 0.00 C ATOM 524 C THR A 38 0.807 8.560 2.422 1.00 0.00 C ATOM 525 O THR A 38 1.142 8.686 3.600 1.00 0.00 O ATOM 526 CB THR A 38 2.009 9.908 0.700 1.00 0.00 C ATOM 527 OG1 THR A 38 3.133 9.929 1.587 1.00 0.00 O ATOM 528 CG2 THR A 38 1.997 11.175 -0.142 1.00 0.00 C ATOM 0 HA THR A 38 -0.129 9.634 0.816 1.00 0.00 H new ATOM 0 HB THR A 38 2.089 9.049 0.034 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.959 10.013 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.929 11.248 -0.702 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.158 11.142 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.896 12.043 0.509 1.00 0.00 H new ATOM 536 N ALA A 39 0.519 7.384 1.874 1.00 0.00 N ATOM 537 CA ALA A 39 0.583 6.147 2.642 1.00 0.00 C ATOM 538 C ALA A 39 1.983 5.544 2.595 1.00 0.00 C ATOM 539 O ALA A 39 2.498 5.229 1.522 1.00 0.00 O ATOM 540 CB ALA A 39 -0.441 5.150 2.123 1.00 0.00 C ATOM 0 H ALA A 39 0.239 7.262 0.901 1.00 0.00 H new ATOM 0 HA ALA A 39 0.351 6.381 3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.382 4.231 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.441 5.574 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.235 4.929 1.076 1.00 0.00 H new ATOM 546 N VAL A 40 2.594 5.386 3.764 1.00 0.00 N ATOM 547 CA VAL A 40 3.935 4.819 3.856 1.00 0.00 C ATOM 548 C VAL A 40 3.936 3.544 4.691 1.00 0.00 C ATOM 549 O VAL A 40 3.103 3.372 5.582 1.00 0.00 O ATOM 550 CB VAL A 40 4.927 5.824 4.471 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.360 5.371 4.236 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.699 7.215 3.901 1.00 0.00 C ATOM 0 H VAL A 40 2.182 5.642 4.661 1.00 0.00 H new ATOM 0 HA VAL A 40 4.251 4.584 2.840 1.00 0.00 H new ATOM 0 HB VAL A 40 4.756 5.865 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.047 6.093 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.513 4.395 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.548 5.299 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.409 7.912 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.842 7.193 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.683 7.538 4.126 1.00 0.00 H new ATOM 562 N ILE A 41 4.877 2.652 4.398 1.00 0.00 N ATOM 563 CA ILE A 41 4.988 1.393 5.123 1.00 0.00 C ATOM 564 C ILE A 41 5.918 1.530 6.324 1.00 0.00 C ATOM 565 O ILE A 41 7.136 1.607 6.172 1.00 0.00 O ATOM 566 CB ILE A 41 5.505 0.263 4.213 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.610 0.120 2.981 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.571 -1.048 4.982 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.337 -0.406 1.763 1.00 0.00 C ATOM 0 H ILE A 41 5.573 2.779 3.663 1.00 0.00 H new ATOM 0 HA ILE A 41 3.986 1.139 5.470 1.00 0.00 H new ATOM 0 HB ILE A 41 6.511 0.517 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.784 -0.550 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.175 1.091 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.938 -1.837 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.246 -0.938 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.576 -1.309 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.641 -0.482 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.146 0.275 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.749 -1.391 1.982 1.00 0.00 H new ATOM 581 N ALA A 42 5.334 1.556 7.517 1.00 0.00 N ATOM 582 CA ALA A 42 6.110 1.680 8.745 1.00 0.00 C ATOM 583 C ALA A 42 6.977 0.446 8.973 1.00 0.00 C ATOM 584 O ALA A 42 8.150 0.556 9.326 1.00 0.00 O ATOM 585 CB ALA A 42 5.187 1.906 9.933 1.00 0.00 C ATOM 0 H ALA A 42 4.326 1.493 7.660 1.00 0.00 H new ATOM 0 HA ALA A 42 6.770 2.542 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.780 1.997 10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.615 2.821 9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.503 1.062 10.028 1.00 0.00 H new ATOM 591 N ASN A 43 6.390 -0.729 8.768 1.00 0.00 N ATOM 592 CA ASN A 43 7.109 -1.985 8.953 1.00 0.00 C ATOM 593 C ASN A 43 6.432 -3.117 8.187 1.00 0.00 C ATOM 594 O ASN A 43 5.274 -3.002 7.782 1.00 0.00 O ATOM 595 CB ASN A 43 7.188 -2.337 10.440 1.00 0.00 C ATOM 596 CG ASN A 43 8.409 -3.174 10.771 1.00 0.00 C ATOM 597 OD1 ASN A 43 9.544 -2.719 10.631 1.00 0.00 O ATOM 598 ND2 ASN A 43 8.179 -4.405 11.214 1.00 0.00 N ATOM 0 H ASN A 43 5.419 -0.838 8.474 1.00 0.00 H new ATOM 0 HA ASN A 43 8.118 -1.858 8.562 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.210 -1.419 11.027 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.289 -2.880 10.731 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.961 -5.015 11.454 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.221 -4.740 11.314 1.00 0.00 H new ATOM 605 N LEU A 44 7.161 -4.210 7.991 1.00 0.00 N ATOM 606 CA LEU A 44 6.632 -5.365 7.273 1.00 0.00 C ATOM 607 C LEU A 44 6.958 -6.660 8.010 1.00 0.00 C ATOM 608 O LEU A 44 7.941 -6.737 8.747 1.00 0.00 O ATOM 609 CB LEU A 44 7.202 -5.414 5.855 1.00 0.00 C ATOM 610 CG LEU A 44 6.832 -4.244 4.942 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.490 -4.402 3.579 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.321 -4.138 4.797 1.00 0.00 C ATOM 0 H LEU A 44 8.120 -4.321 8.319 1.00 0.00 H new ATOM 0 HA LEU A 44 5.548 -5.263 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.289 -5.466 5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.868 -6.338 5.382 1.00 0.00 H new ATOM 0 HG LEU A 44 7.199 -3.324 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.216 -3.561 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.573 -4.428 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.153 -5.330 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.076 -3.300 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.931 -5.060 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.872 -3.978 5.777 1.00 0.00 H new ATOM 624 N LEU A 45 6.128 -7.676 7.804 1.00 0.00 N ATOM 625 CA LEU A 45 6.328 -8.970 8.447 1.00 0.00 C ATOM 626 C LEU A 45 7.156 -9.896 7.561 1.00 0.00 C ATOM 627 O LEU A 45 6.638 -10.502 6.622 1.00 0.00 O ATOM 628 CB LEU A 45 4.980 -9.620 8.762 1.00 0.00 C ATOM 629 CG LEU A 45 4.988 -10.681 9.863 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.582 -10.906 10.398 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.577 -11.984 9.344 1.00 0.00 C ATOM 0 H LEU A 45 5.310 -7.629 7.197 1.00 0.00 H new ATOM 0 HA LEU A 45 6.871 -8.805 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.278 -8.836 9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.597 -10.075 7.849 1.00 0.00 H new ATOM 0 HG LEU A 45 5.613 -10.323 10.681 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.608 -11.664 11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.195 -9.973 10.809 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.934 -11.242 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.575 -12.727 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.979 -12.346 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.600 -11.813 9.010 1.00 0.00 H new ATOM 643 N HIS A 46 8.446 -10.002 7.866 1.00 0.00 N ATOM 644 CA HIS A 46 9.345 -10.856 7.099 1.00 0.00 C ATOM 645 C HIS A 46 8.778 -12.266 6.970 1.00 0.00 C ATOM 646 O HIS A 46 8.958 -13.102 7.855 1.00 0.00 O ATOM 647 CB HIS A 46 10.723 -10.907 7.761 1.00 0.00 C ATOM 648 CG HIS A 46 11.592 -9.734 7.426 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.361 -8.911 6.344 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.697 -9.247 8.038 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.287 -7.969 6.304 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.110 -8.151 7.321 1.00 0.00 N ATOM 0 H HIS A 46 8.891 -9.507 8.639 1.00 0.00 H new ATOM 0 HA HIS A 46 9.445 -10.431 6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.596 -10.957 8.842 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.230 -11.823 7.457 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.166 -9.646 8.925 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.359 -7.184 5.566 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.921 -7.572 7.538 1.00 0.00 H new ATOM 660 N GLY A 47 8.090 -12.523 5.862 1.00 0.00 N ATOM 661 CA GLY A 47 7.505 -13.833 5.638 1.00 0.00 C ATOM 662 C GLY A 47 6.093 -13.752 5.093 1.00 0.00 C ATOM 663 O GLY A 47 5.529 -14.756 4.661 1.00 0.00 O ATOM 0 H GLY A 47 7.927 -11.848 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.129 -14.392 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.498 -14.389 6.575 1.00 0.00 H new ATOM 667 N GLY A 48 5.520 -12.553 5.115 1.00 0.00 N ATOM 668 CA GLY A 48 4.169 -12.367 4.618 1.00 0.00 C ATOM 669 C GLY A 48 4.092 -12.443 3.106 1.00 0.00 C ATOM 670 O GLY A 48 5.105 -12.560 2.416 1.00 0.00 O ATOM 0 H GLY A 48 5.967 -11.707 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.518 -13.127 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.793 -11.399 4.950 1.00 0.00 H new ATOM 674 N PRO A 49 2.865 -12.376 2.568 1.00 0.00 N ATOM 675 CA PRO A 49 2.630 -12.436 1.123 1.00 0.00 C ATOM 676 C PRO A 49 3.120 -11.185 0.403 1.00 0.00 C ATOM 677 O PRO A 49 3.533 -11.245 -0.755 1.00 0.00 O ATOM 678 CB PRO A 49 1.107 -12.553 1.015 1.00 0.00 C ATOM 679 CG PRO A 49 0.591 -11.935 2.268 1.00 0.00 C ATOM 680 CD PRO A 49 1.612 -12.236 3.330 1.00 0.00 C ATOM 0 HA PRO A 49 3.169 -13.261 0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.731 -12.034 0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.795 -13.594 0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.459 -10.860 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.382 -12.347 2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.676 -11.434 4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.369 -13.148 3.875 1.00 0.00 H new ATOM 688 N ALA A 50 3.072 -10.052 1.096 1.00 0.00 N ATOM 689 CA ALA A 50 3.514 -8.787 0.523 1.00 0.00 C ATOM 690 C ALA A 50 5.018 -8.602 0.693 1.00 0.00 C ATOM 691 O ALA A 50 5.675 -7.985 -0.144 1.00 0.00 O ATOM 692 CB ALA A 50 2.763 -7.627 1.161 1.00 0.00 C ATOM 0 H ALA A 50 2.731 -9.985 2.055 1.00 0.00 H new ATOM 0 HA ALA A 50 3.295 -8.805 -0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.103 -6.689 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.694 -7.744 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.953 -7.617 2.234 1.00 0.00 H new ATOM 698 N GLU A 51 5.556 -9.142 1.783 1.00 0.00 N ATOM 699 CA GLU A 51 6.983 -9.034 2.063 1.00 0.00 C ATOM 700 C GLU A 51 7.776 -10.049 1.244 1.00 0.00 C ATOM 701 O GLU A 51 8.855 -9.745 0.736 1.00 0.00 O ATOM 702 CB GLU A 51 7.251 -9.246 3.554 1.00 0.00 C ATOM 703 CG GLU A 51 8.716 -9.112 3.935 1.00 0.00 C ATOM 704 CD GLU A 51 9.503 -10.383 3.680 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.870 -11.441 3.477 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.750 -10.321 3.684 1.00 0.00 O ATOM 0 H GLU A 51 5.026 -9.658 2.485 1.00 0.00 H new ATOM 0 HA GLU A 51 7.307 -8.032 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.668 -8.524 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.899 -10.237 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.161 -8.294 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.791 -8.848 4.990 1.00 0.00 H new ATOM 713 N ARG A 52 7.233 -11.256 1.121 1.00 0.00 N ATOM 714 CA ARG A 52 7.889 -12.316 0.366 1.00 0.00 C ATOM 715 C ARG A 52 8.128 -11.887 -1.078 1.00 0.00 C ATOM 716 O ARG A 52 9.095 -12.312 -1.710 1.00 0.00 O ATOM 717 CB ARG A 52 7.044 -13.592 0.398 1.00 0.00 C ATOM 718 CG ARG A 52 5.774 -13.501 -0.431 1.00 0.00 C ATOM 719 CD ARG A 52 5.242 -14.881 -0.789 1.00 0.00 C ATOM 720 NE ARG A 52 5.217 -15.774 0.366 1.00 0.00 N ATOM 721 CZ ARG A 52 5.096 -17.093 0.273 1.00 0.00 C ATOM 722 NH1 ARG A 52 4.991 -17.670 -0.917 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.082 -17.839 1.370 1.00 0.00 N ATOM 0 H ARG A 52 6.340 -11.524 1.535 1.00 0.00 H new ATOM 0 HA ARG A 52 8.854 -12.516 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.646 -14.425 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.778 -13.816 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.015 -12.950 0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.973 -12.939 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.235 -14.787 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.863 -15.317 -1.571 1.00 0.00 H new ATOM 0 HE ARG A 52 5.297 -15.362 1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.003 -17.100 -1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.898 -18.683 -0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.164 -17.399 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.989 -18.852 1.297 1.00 0.00 H new ATOM 737 N SER A 53 7.240 -11.044 -1.594 1.00 0.00 N ATOM 738 CA SER A 53 7.352 -10.561 -2.966 1.00 0.00 C ATOM 739 C SER A 53 8.788 -10.157 -3.284 1.00 0.00 C ATOM 740 O SER A 53 9.256 -10.322 -4.410 1.00 0.00 O ATOM 741 CB SER A 53 6.415 -9.372 -3.188 1.00 0.00 C ATOM 742 OG SER A 53 6.961 -8.183 -2.644 1.00 0.00 O ATOM 0 H SER A 53 6.435 -10.681 -1.083 1.00 0.00 H new ATOM 0 HA SER A 53 7.064 -11.372 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.238 -9.239 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.448 -9.576 -2.727 1.00 0.00 H new ATOM 0 HG SER A 53 6.572 -8.019 -1.760 1.00 0.00 H new ATOM 748 N GLY A 54 9.483 -9.626 -2.282 1.00 0.00 N ATOM 749 CA GLY A 54 10.859 -9.206 -2.474 1.00 0.00 C ATOM 750 C GLY A 54 10.970 -7.952 -3.318 1.00 0.00 C ATOM 751 O GLY A 54 12.072 -7.509 -3.642 1.00 0.00 O ATOM 0 H GLY A 54 9.118 -9.479 -1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.320 -9.028 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.418 -10.011 -2.950 1.00 0.00 H new ATOM 755 N ALA A 55 9.826 -7.379 -3.677 1.00 0.00 N ATOM 756 CA ALA A 55 9.800 -6.168 -4.488 1.00 0.00 C ATOM 757 C ALA A 55 9.319 -4.972 -3.673 1.00 0.00 C ATOM 758 O ALA A 55 9.260 -3.849 -4.176 1.00 0.00 O ATOM 759 CB ALA A 55 8.912 -6.369 -5.708 1.00 0.00 C ATOM 0 H ALA A 55 8.905 -7.734 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 55 10.817 -5.962 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.902 -5.457 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.300 -7.191 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.898 -6.603 -5.385 1.00 0.00 H new ATOM 765 N LEU A 56 8.977 -5.219 -2.414 1.00 0.00 N ATOM 766 CA LEU A 56 8.500 -4.162 -1.529 1.00 0.00 C ATOM 767 C LEU A 56 9.235 -4.198 -0.193 1.00 0.00 C ATOM 768 O LEU A 56 9.562 -5.269 0.319 1.00 0.00 O ATOM 769 CB LEU A 56 6.994 -4.301 -1.300 1.00 0.00 C ATOM 770 CG LEU A 56 6.150 -4.591 -2.541 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.845 -5.268 -2.153 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.879 -3.307 -3.313 1.00 0.00 C ATOM 0 H LEU A 56 9.021 -6.142 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 56 8.701 -3.203 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.829 -5.101 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.630 -3.380 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 56 6.708 -5.269 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.258 -5.467 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.060 -6.208 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.281 -4.616 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.277 -3.532 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.341 -2.606 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.825 -2.863 -3.624 1.00 0.00 H new ATOM 784 N SER A 57 9.491 -3.020 0.368 1.00 0.00 N ATOM 785 CA SER A 57 10.189 -2.917 1.644 1.00 0.00 C ATOM 786 C SER A 57 9.855 -1.601 2.340 1.00 0.00 C ATOM 787 O SER A 57 9.538 -0.605 1.690 1.00 0.00 O ATOM 788 CB SER A 57 11.700 -3.027 1.434 1.00 0.00 C ATOM 789 OG SER A 57 12.137 -2.151 0.410 1.00 0.00 O ATOM 0 H SER A 57 9.225 -2.124 -0.041 1.00 0.00 H new ATOM 0 HA SER A 57 9.858 -3.739 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.218 -2.792 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.961 -4.053 1.175 1.00 0.00 H new ATOM 0 HG SER A 57 13.106 -2.239 0.296 1.00 0.00 H new ATOM 795 N ILE A 58 9.930 -1.605 3.667 1.00 0.00 N ATOM 796 CA ILE A 58 9.637 -0.412 4.452 1.00 0.00 C ATOM 797 C ILE A 58 10.078 0.850 3.719 1.00 0.00 C ATOM 798 O ILE A 58 11.264 1.048 3.458 1.00 0.00 O ATOM 799 CB ILE A 58 10.328 -0.460 5.828 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.802 -1.641 6.646 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.112 0.847 6.575 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.568 -2.925 6.415 1.00 0.00 C ATOM 0 H ILE A 58 10.191 -2.421 4.221 1.00 0.00 H new ATOM 0 HA ILE A 58 8.557 -0.387 4.597 1.00 0.00 H new ATOM 0 HB ILE A 58 11.399 -0.596 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.846 -1.387 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.753 -1.804 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.606 0.797 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.531 1.670 5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.044 1.011 6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.140 -3.719 7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.503 -3.203 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.613 -2.779 6.688 1.00 0.00 H new ATOM 814 N GLY A 59 9.113 1.704 3.389 1.00 0.00 N ATOM 815 CA GLY A 59 9.421 2.938 2.690 1.00 0.00 C ATOM 816 C GLY A 59 8.503 3.179 1.508 1.00 0.00 C ATOM 817 O GLY A 59 7.934 4.261 1.365 1.00 0.00 O ATOM 0 H GLY A 59 8.124 1.563 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.342 3.775 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.454 2.908 2.344 1.00 0.00 H new ATOM 821 N ASP A 60 8.360 2.169 0.657 1.00 0.00 N ATOM 822 CA ASP A 60 7.505 2.277 -0.520 1.00 0.00 C ATOM 823 C ASP A 60 6.221 3.032 -0.192 1.00 0.00 C ATOM 824 O ASP A 60 5.516 2.695 0.759 1.00 0.00 O ATOM 825 CB ASP A 60 7.169 0.886 -1.061 1.00 0.00 C ATOM 826 CG ASP A 60 8.186 0.397 -2.074 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.079 1.187 -2.445 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.087 -0.774 -2.496 1.00 0.00 O ATOM 0 H ASP A 60 8.825 1.267 0.760 1.00 0.00 H new ATOM 0 HA ASP A 60 8.048 2.835 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.118 0.180 -0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.182 0.908 -1.523 1.00 0.00 H new ATOM 833 N ARG A 61 5.925 4.057 -0.985 1.00 0.00 N ATOM 834 CA ARG A 61 4.727 4.862 -0.778 1.00 0.00 C ATOM 835 C ARG A 61 3.544 4.285 -1.550 1.00 0.00 C ATOM 836 O ARG A 61 3.502 4.346 -2.779 1.00 0.00 O ATOM 837 CB ARG A 61 4.977 6.307 -1.212 1.00 0.00 C ATOM 838 CG ARG A 61 3.724 7.167 -1.219 1.00 0.00 C ATOM 839 CD ARG A 61 2.922 6.971 -2.497 1.00 0.00 C ATOM 840 NE ARG A 61 2.185 8.176 -2.870 1.00 0.00 N ATOM 841 CZ ARG A 61 1.072 8.574 -2.264 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.571 7.868 -1.260 1.00 0.00 N ATOM 843 NH2 ARG A 61 0.459 9.682 -2.661 1.00 0.00 N ATOM 0 H ARG A 61 6.498 4.349 -1.776 1.00 0.00 H new ATOM 0 HA ARG A 61 4.488 4.845 0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.712 6.756 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.413 6.307 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.105 6.917 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.001 8.216 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.595 6.692 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.223 6.145 -2.364 1.00 0.00 H new ATOM 0 HE ARG A 61 2.545 8.743 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.040 7.017 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.284 8.176 -0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.842 10.229 -3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.396 9.987 -2.195 1.00 0.00 H new ATOM 857 N LEU A 62 2.585 3.726 -0.821 1.00 0.00 N ATOM 858 CA LEU A 62 1.400 3.137 -1.436 1.00 0.00 C ATOM 859 C LEU A 62 0.483 4.220 -1.996 1.00 0.00 C ATOM 860 O LEU A 62 0.362 5.304 -1.425 1.00 0.00 O ATOM 861 CB LEU A 62 0.641 2.287 -0.417 1.00 0.00 C ATOM 862 CG LEU A 62 -0.773 1.863 -0.817 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.214 0.649 -0.013 1.00 0.00 C ATOM 864 CD2 LEU A 62 -1.749 3.014 -0.626 1.00 0.00 C ATOM 0 H LEU A 62 2.604 3.668 0.197 1.00 0.00 H new ATOM 0 HA LEU A 62 1.726 2.501 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.225 1.389 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.581 2.844 0.518 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.765 1.591 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.222 0.362 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.530 -0.179 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.206 0.893 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.750 2.694 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.754 3.317 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.444 3.857 -1.246 1.00 0.00 H new ATOM 876 N THR A 63 -0.163 3.918 -3.118 1.00 0.00 N ATOM 877 CA THR A 63 -1.070 4.864 -3.756 1.00 0.00 C ATOM 878 C THR A 63 -2.500 4.337 -3.761 1.00 0.00 C ATOM 879 O THR A 63 -3.453 5.096 -3.586 1.00 0.00 O ATOM 880 CB THR A 63 -0.641 5.166 -5.204 1.00 0.00 C ATOM 881 OG1 THR A 63 -0.778 3.990 -6.010 1.00 0.00 O ATOM 882 CG2 THR A 63 0.798 5.655 -5.251 1.00 0.00 C ATOM 0 H THR A 63 -0.075 3.025 -3.604 1.00 0.00 H new ATOM 0 HA THR A 63 -1.027 5.784 -3.173 1.00 0.00 H new ATOM 0 HB THR A 63 -1.287 5.952 -5.595 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.211 3.277 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.078 5.862 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.892 6.566 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.456 4.888 -4.843 1.00 0.00 H new ATOM 890 N ALA A 64 -2.644 3.031 -3.961 1.00 0.00 N ATOM 891 CA ALA A 64 -3.958 2.401 -3.986 1.00 0.00 C ATOM 892 C ALA A 64 -3.853 0.900 -3.738 1.00 0.00 C ATOM 893 O ALA A 64 -2.771 0.319 -3.838 1.00 0.00 O ATOM 894 CB ALA A 64 -4.647 2.671 -5.315 1.00 0.00 C ATOM 0 H ALA A 64 -1.866 2.388 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.556 2.834 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.627 2.195 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.765 3.746 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.043 2.266 -6.127 1.00 0.00 H new ATOM 900 N ILE A 65 -4.981 0.278 -3.413 1.00 0.00 N ATOM 901 CA ILE A 65 -5.015 -1.155 -3.151 1.00 0.00 C ATOM 902 C ILE A 65 -6.221 -1.808 -3.818 1.00 0.00 C ATOM 903 O ILE A 65 -7.362 -1.414 -3.581 1.00 0.00 O ATOM 904 CB ILE A 65 -5.055 -1.450 -1.640 1.00 0.00 C ATOM 905 CG1 ILE A 65 -3.675 -1.227 -1.018 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.530 -2.874 -1.391 1.00 0.00 C ATOM 907 CD1 ILE A 65 -3.629 -1.511 0.467 1.00 0.00 C ATOM 0 H ILE A 65 -5.884 0.744 -3.325 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.100 -1.574 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.760 -0.765 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.950 -1.864 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.369 -0.195 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.553 -3.068 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.531 -3.001 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.847 -3.575 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.621 -1.332 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.329 -0.856 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.904 -2.550 0.647 1.00 0.00 H new ATOM 919 N ASN A 66 -5.960 -2.810 -4.651 1.00 0.00 N ATOM 920 CA ASN A 66 -7.025 -3.519 -5.351 1.00 0.00 C ATOM 921 C ASN A 66 -7.913 -2.545 -6.120 1.00 0.00 C ATOM 922 O ASN A 66 -9.128 -2.723 -6.195 1.00 0.00 O ATOM 923 CB ASN A 66 -7.869 -4.322 -4.360 1.00 0.00 C ATOM 924 CG ASN A 66 -7.208 -5.628 -3.963 1.00 0.00 C ATOM 925 OD1 ASN A 66 -6.685 -6.354 -4.809 1.00 0.00 O ATOM 926 ND2 ASN A 66 -7.229 -5.933 -2.671 1.00 0.00 N ATOM 0 H ASN A 66 -5.021 -3.149 -4.858 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.564 -4.203 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.046 -3.722 -3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.843 -4.531 -4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.800 -6.799 -2.344 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.674 -5.301 -2.005 1.00 0.00 H new ATOM 933 N GLY A 67 -7.296 -1.514 -6.691 1.00 0.00 N ATOM 934 CA GLY A 67 -8.045 -0.528 -7.447 1.00 0.00 C ATOM 935 C GLY A 67 -8.720 0.496 -6.555 1.00 0.00 C ATOM 936 O GLY A 67 -9.420 1.387 -7.038 1.00 0.00 O ATOM 0 H GLY A 67 -6.291 -1.345 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.374 -0.018 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.799 -1.033 -8.050 1.00 0.00 H new ATOM 940 N THR A 68 -8.511 0.369 -5.248 1.00 0.00 N ATOM 941 CA THR A 68 -9.107 1.289 -4.287 1.00 0.00 C ATOM 942 C THR A 68 -8.181 2.467 -4.007 1.00 0.00 C ATOM 943 O THR A 68 -7.288 2.381 -3.164 1.00 0.00 O ATOM 944 CB THR A 68 -9.432 0.580 -2.959 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.369 -0.480 -3.186 1.00 0.00 O ATOM 946 CG2 THR A 68 -10.004 1.561 -1.947 1.00 0.00 C ATOM 0 H THR A 68 -7.934 -0.361 -4.831 1.00 0.00 H new ATOM 0 HA THR A 68 -10.032 1.655 -4.731 1.00 0.00 H new ATOM 0 HB THR A 68 -8.507 0.167 -2.557 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.569 -0.927 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.226 1.037 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.277 2.350 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.920 2.000 -2.343 1.00 0.00 H new ATOM 954 N SER A 69 -8.401 3.568 -4.719 1.00 0.00 N ATOM 955 CA SER A 69 -7.584 4.764 -4.549 1.00 0.00 C ATOM 956 C SER A 69 -7.408 5.096 -3.071 1.00 0.00 C ATOM 957 O SER A 69 -8.381 5.355 -2.360 1.00 0.00 O ATOM 958 CB SER A 69 -8.219 5.949 -5.278 1.00 0.00 C ATOM 959 OG SER A 69 -8.930 5.520 -6.427 1.00 0.00 O ATOM 0 H SER A 69 -9.138 3.656 -5.419 1.00 0.00 H new ATOM 0 HA SER A 69 -6.602 4.567 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.895 6.475 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.444 6.658 -5.570 1.00 0.00 H new ATOM 0 HG SER A 69 -9.328 6.296 -6.874 1.00 0.00 H new ATOM 965 N LEU A 70 -6.161 5.087 -2.613 1.00 0.00 N ATOM 966 CA LEU A 70 -5.856 5.387 -1.218 1.00 0.00 C ATOM 967 C LEU A 70 -5.044 6.673 -1.103 1.00 0.00 C ATOM 968 O LEU A 70 -4.789 7.163 -0.003 1.00 0.00 O ATOM 969 CB LEU A 70 -5.088 4.227 -0.583 1.00 0.00 C ATOM 970 CG LEU A 70 -5.907 2.977 -0.258 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.021 1.900 0.348 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.053 3.320 0.683 1.00 0.00 C ATOM 0 H LEU A 70 -5.345 4.875 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.798 5.525 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.279 3.942 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.626 4.584 0.338 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.328 2.591 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.622 1.019 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.236 1.634 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.569 2.275 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.625 2.419 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.652 3.731 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.704 4.056 0.211 1.00 0.00 H new ATOM 984 N VAL A 71 -4.641 7.217 -2.248 1.00 0.00 N ATOM 985 CA VAL A 71 -3.861 8.448 -2.276 1.00 0.00 C ATOM 986 C VAL A 71 -4.741 9.663 -2.001 1.00 0.00 C ATOM 987 O VAL A 71 -5.417 10.168 -2.896 1.00 0.00 O ATOM 988 CB VAL A 71 -3.157 8.635 -3.633 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.153 8.503 -4.775 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.449 9.981 -3.685 1.00 0.00 C ATOM 0 H VAL A 71 -4.842 6.824 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.108 8.364 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.408 7.851 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.637 8.638 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.609 7.513 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.928 9.263 -4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.957 10.096 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.177 10.781 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.705 10.032 -2.890 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.726 10.127 -0.755 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.526 11.280 -0.384 1.00 0.00 C ATOM 1002 C GLY A 72 -6.514 10.967 0.722 1.00 0.00 C ATOM 1003 O GLY A 72 -7.312 11.821 1.112 1.00 0.00 O ATOM 0 H GLY A 72 -4.175 9.726 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.868 12.087 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.067 11.640 -1.259 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.464 9.740 1.229 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.363 9.316 2.296 1.00 0.00 C ATOM 1009 C LEU A 73 -6.630 9.249 3.632 1.00 0.00 C ATOM 1010 O LEU A 73 -5.411 9.087 3.692 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.970 7.951 1.966 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.065 7.944 0.898 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.426 6.517 0.514 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.295 8.693 1.390 1.00 0.00 C ATOM 0 H LEU A 73 -5.810 9.021 0.918 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.162 10.053 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.168 7.288 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.381 7.527 2.882 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.685 8.452 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.206 6.531 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.544 6.012 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.786 5.984 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.064 8.678 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.677 8.213 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.027 9.725 1.615 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.389 9.375 4.731 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.833 9.330 6.087 1.00 0.00 C ATOM 1028 C PRO A 74 -6.342 7.937 6.466 1.00 0.00 C ATOM 1029 O PRO A 74 -6.938 6.931 6.078 1.00 0.00 O ATOM 1030 CB PRO A 74 -8.015 9.739 6.969 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.223 9.373 6.178 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.848 9.571 4.735 1.00 0.00 C ATOM 0 HA PRO A 74 -5.962 9.977 6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.995 9.216 7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.994 10.806 7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.515 8.340 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.072 10.000 6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.351 8.854 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.121 10.566 4.382 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.254 7.884 7.225 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.684 6.613 7.658 1.00 0.00 C ATOM 1042 C LEU A 75 -5.779 5.582 7.909 1.00 0.00 C ATOM 1043 O LEU A 75 -5.647 4.417 7.534 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.852 6.810 8.927 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.345 5.535 9.601 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.365 4.806 8.696 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.697 5.861 10.939 1.00 0.00 C ATOM 0 H LEU A 75 -4.748 8.707 7.554 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.038 6.243 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.992 7.433 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.452 7.365 9.648 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.197 4.879 9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.015 3.901 9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.861 4.539 7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.515 5.455 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.342 4.942 11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.856 6.536 10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.428 6.339 11.591 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.862 6.019 8.544 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.982 5.135 8.841 1.00 0.00 C ATOM 1061 C ALA A 76 -8.411 4.357 7.601 1.00 0.00 C ATOM 1062 O ALA A 76 -8.461 3.127 7.614 1.00 0.00 O ATOM 1063 CB ALA A 76 -9.152 5.933 9.396 1.00 0.00 C ATOM 0 H ALA A 76 -6.987 6.980 8.862 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.656 4.417 9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.981 5.260 9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.846 6.439 10.312 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.469 6.673 8.661 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.721 5.082 6.531 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.145 4.459 5.283 1.00 0.00 C ATOM 1071 C ALA A 77 -8.186 3.348 4.871 1.00 0.00 C ATOM 1072 O ALA A 77 -8.590 2.197 4.703 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.251 5.504 4.182 1.00 0.00 C ATOM 0 H ALA A 77 -8.686 6.101 6.503 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.127 4.014 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.568 5.025 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.981 6.261 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.279 5.975 4.033 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.915 3.700 4.707 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.898 2.732 4.312 1.00 0.00 C ATOM 1081 C CYS A 78 -5.884 1.540 5.264 1.00 0.00 C ATOM 1082 O CYS A 78 -5.885 0.388 4.830 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.520 3.393 4.283 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.420 4.845 3.210 1.00 0.00 S ATOM 0 H CYS A 78 -6.565 4.648 4.842 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.142 2.373 3.312 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.247 3.685 5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.784 2.660 3.953 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.291 5.457 3.413 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.869 1.825 6.562 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.852 0.776 7.574 1.00 0.00 C ATOM 1092 C GLN A 79 -7.060 -0.143 7.425 1.00 0.00 C ATOM 1093 O GLN A 79 -6.989 -1.332 7.736 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.832 1.390 8.975 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.440 1.767 9.455 1.00 0.00 C ATOM 1096 CD GLN A 79 -3.747 0.632 10.183 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -4.118 -0.533 10.038 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -2.734 0.968 10.973 1.00 0.00 N ATOM 0 H GLN A 79 -5.868 2.773 6.937 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.948 0.183 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.463 2.279 8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.271 0.683 9.679 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.834 2.069 8.600 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.509 2.630 10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.460 1.946 11.063 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.229 0.248 11.489 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.168 0.415 6.949 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.390 -0.355 6.758 1.00 0.00 C ATOM 1109 C ALA A 80 -9.405 -1.031 5.392 1.00 0.00 C ATOM 1110 O ALA A 80 -10.126 -2.005 5.179 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.609 0.542 6.919 1.00 0.00 C ATOM 0 H ALA A 80 -8.244 1.398 6.689 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.422 -1.134 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.515 -0.046 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.613 0.974 7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.573 1.341 6.179 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.606 -0.507 4.469 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.526 -1.061 3.123 1.00 0.00 C ATOM 1119 C ALA A 81 -7.481 -2.169 3.046 1.00 0.00 C ATOM 1120 O ALA A 81 -7.592 -3.086 2.232 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.210 0.036 2.118 1.00 0.00 C ATOM 0 H ALA A 81 -8.004 0.301 4.629 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.496 -1.494 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.153 -0.393 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.995 0.792 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.255 0.496 2.370 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.466 -2.079 3.899 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.400 -3.074 3.928 1.00 0.00 C ATOM 1129 C VAL A 82 -5.824 -4.309 4.715 1.00 0.00 C ATOM 1130 O VAL A 82 -5.233 -5.380 4.573 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.113 -2.500 4.549 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.333 -2.158 6.015 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -2.962 -3.481 4.389 1.00 0.00 C ATOM 0 H VAL A 82 -6.359 -1.327 4.580 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.201 -3.355 2.894 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.854 -1.582 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.413 -1.754 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.127 -1.417 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.617 -3.058 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.060 -3.060 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.210 -4.417 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.790 -3.670 3.329 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.851 -4.153 5.543 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.354 -5.256 6.353 1.00 0.00 C ATOM 1145 C ARG A 83 -8.434 -6.032 5.605 1.00 0.00 C ATOM 1146 O ARG A 83 -8.546 -7.249 5.745 1.00 0.00 O ATOM 1147 CB ARG A 83 -7.912 -4.732 7.677 1.00 0.00 C ATOM 1148 CG ARG A 83 -9.369 -4.305 7.598 1.00 0.00 C ATOM 1149 CD ARG A 83 -9.910 -3.915 8.964 1.00 0.00 C ATOM 1150 NE ARG A 83 -10.333 -5.079 9.738 1.00 0.00 N ATOM 1151 CZ ARG A 83 -11.353 -5.858 9.395 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -12.050 -5.599 8.297 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -11.677 -6.899 10.151 1.00 0.00 N ATOM 0 H ARG A 83 -7.351 -3.273 5.671 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.523 -5.931 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.810 -5.507 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.311 -3.884 8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.466 -3.463 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.966 -5.119 7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.143 -3.372 9.516 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.754 -3.236 8.839 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.817 -5.306 10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.803 -4.800 7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.833 -6.199 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.143 -7.102 10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.460 -7.497 9.887 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.226 -5.318 4.811 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.298 -5.940 4.043 1.00 0.00 C ATOM 1169 C GLU A 84 -9.736 -6.946 3.042 1.00 0.00 C ATOM 1170 O GLU A 84 -10.474 -7.752 2.473 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.113 -4.874 3.308 1.00 0.00 C ATOM 1172 CG GLU A 84 -10.408 -4.299 2.091 1.00 0.00 C ATOM 1173 CD GLU A 84 -11.374 -3.724 1.074 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -12.045 -4.516 0.380 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -11.459 -2.482 0.972 1.00 0.00 O ATOM 0 H GLU A 84 -9.145 -4.309 4.683 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.949 -6.470 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.063 -5.307 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.344 -4.064 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.717 -3.519 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.812 -5.080 1.619 1.00 0.00 H new ATOM 1182 N THR A 85 -8.425 -6.893 2.831 1.00 0.00 N ATOM 1183 CA THR A 85 -7.764 -7.797 1.899 1.00 0.00 C ATOM 1184 C THR A 85 -7.444 -9.133 2.561 1.00 0.00 C ATOM 1185 O THR A 85 -7.373 -10.166 1.895 1.00 0.00 O ATOM 1186 CB THR A 85 -6.461 -7.185 1.350 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.547 -6.934 2.423 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.744 -5.889 0.606 1.00 0.00 C ATOM 0 H THR A 85 -7.800 -6.233 3.293 1.00 0.00 H new ATOM 0 HA THR A 85 -8.457 -7.960 1.073 1.00 0.00 H new ATOM 0 HB THR A 85 -6.017 -7.896 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.868 -6.176 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.809 -5.475 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.417 -6.088 -0.228 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.209 -5.174 1.285 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.253 -9.105 3.875 1.00 0.00 N ATOM 1197 CA LYS A 86 -6.943 -10.314 4.629 1.00 0.00 C ATOM 1198 C LYS A 86 -7.695 -11.515 4.065 1.00 0.00 C ATOM 1199 O LYS A 86 -7.094 -12.539 3.739 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.298 -10.124 6.105 1.00 0.00 C ATOM 1201 CG LYS A 86 -6.842 -11.270 6.993 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.242 -11.046 8.442 1.00 0.00 C ATOM 1203 CE LYS A 86 -6.661 -12.117 9.352 1.00 0.00 C ATOM 1204 NZ LYS A 86 -7.130 -11.965 10.757 1.00 0.00 N ATOM 0 H LYS A 86 -7.307 -8.258 4.441 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.873 -10.503 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.848 -9.198 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.378 -10.010 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.276 -12.204 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.759 -11.375 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.898 -10.064 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.329 -11.047 8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.943 -13.102 8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.573 -12.065 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.712 -12.714 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.839 -11.035 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.167 -12.040 10.787 1.00 0.00 H new ATOM 1218 N SER A 87 -9.013 -11.382 3.950 1.00 0.00 N ATOM 1219 CA SER A 87 -9.847 -12.458 3.427 1.00 0.00 C ATOM 1220 C SER A 87 -9.518 -12.738 1.964 1.00 0.00 C ATOM 1221 O SER A 87 -9.464 -13.892 1.539 1.00 0.00 O ATOM 1222 CB SER A 87 -11.327 -12.099 3.569 1.00 0.00 C ATOM 1223 OG SER A 87 -11.650 -11.790 4.913 1.00 0.00 O ATOM 0 H SER A 87 -9.526 -10.540 4.212 1.00 0.00 H new ATOM 0 HA SER A 87 -9.642 -13.358 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.561 -11.247 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.941 -12.932 3.226 1.00 0.00 H new ATOM 0 HG SER A 87 -12.601 -11.562 4.977 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.299 -11.673 1.199 1.00 0.00 N ATOM 1230 CA GLN A 88 -8.975 -11.804 -0.217 1.00 0.00 C ATOM 1231 C GLN A 88 -7.680 -12.585 -0.410 1.00 0.00 C ATOM 1232 O GLN A 88 -6.634 -12.218 0.128 1.00 0.00 O ATOM 1233 CB GLN A 88 -8.853 -10.423 -0.863 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.172 -9.672 -0.948 1.00 0.00 C ATOM 1235 CD GLN A 88 -9.995 -8.169 -0.860 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -8.983 -7.625 -1.302 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -10.982 -7.489 -0.287 1.00 0.00 N ATOM 0 H GLN A 88 -9.340 -10.711 1.536 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.783 -12.353 -0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.141 -9.826 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.443 -10.536 -1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.668 -9.921 -1.886 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.827 -10.004 -0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.803 -7.981 0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.919 -6.475 -0.200 1.00 0.00 H new ATOM 1246 N THR A 89 -7.755 -13.666 -1.181 1.00 0.00 N ATOM 1247 CA THR A 89 -6.589 -14.500 -1.443 1.00 0.00 C ATOM 1248 C THR A 89 -5.619 -13.805 -2.391 1.00 0.00 C ATOM 1249 O THR A 89 -4.593 -14.371 -2.770 1.00 0.00 O ATOM 1250 CB THR A 89 -6.995 -15.858 -2.047 1.00 0.00 C ATOM 1251 OG1 THR A 89 -8.182 -15.710 -2.833 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.231 -16.887 -0.952 1.00 0.00 C ATOM 0 H THR A 89 -8.611 -13.984 -1.635 1.00 0.00 H new ATOM 0 HA THR A 89 -6.098 -14.669 -0.484 1.00 0.00 H new ATOM 0 HB THR A 89 -6.181 -16.206 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.432 -16.577 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.517 -17.838 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.317 -17.019 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.029 -16.542 -0.295 1.00 0.00 H new ATOM 1260 N SER A 90 -5.948 -12.574 -2.771 1.00 0.00 N ATOM 1261 CA SER A 90 -5.106 -11.803 -3.677 1.00 0.00 C ATOM 1262 C SER A 90 -4.931 -10.374 -3.173 1.00 0.00 C ATOM 1263 O SER A 90 -5.774 -9.853 -2.443 1.00 0.00 O ATOM 1264 CB SER A 90 -5.711 -11.790 -5.082 1.00 0.00 C ATOM 1265 OG SER A 90 -7.007 -11.215 -5.074 1.00 0.00 O ATOM 0 H SER A 90 -6.792 -12.090 -2.465 1.00 0.00 H new ATOM 0 HA SER A 90 -4.126 -12.278 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.064 -11.227 -5.755 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.764 -12.808 -5.468 1.00 0.00 H new ATOM 0 HG SER A 90 -7.371 -11.217 -5.984 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.829 -9.744 -3.568 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.542 -8.375 -3.158 1.00 0.00 C ATOM 1273 C VAL A 91 -2.682 -7.660 -4.194 1.00 0.00 C ATOM 1274 O VAL A 91 -1.551 -8.064 -4.465 1.00 0.00 O ATOM 1275 CB VAL A 91 -2.824 -8.336 -1.796 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.532 -6.900 -1.387 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -3.656 -9.042 -0.735 1.00 0.00 C ATOM 0 H VAL A 91 -3.120 -10.161 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.500 -7.863 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.874 -8.862 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.025 -6.892 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.894 -6.431 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.468 -6.346 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.134 -9.005 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.622 -8.546 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.809 -10.082 -1.025 1.00 0.00 H new ATOM 1287 N THR A 92 -3.225 -6.593 -4.771 1.00 0.00 N ATOM 1288 CA THR A 92 -2.509 -5.820 -5.778 1.00 0.00 C ATOM 1289 C THR A 92 -2.102 -4.454 -5.237 1.00 0.00 C ATOM 1290 O THR A 92 -2.942 -3.571 -5.059 1.00 0.00 O ATOM 1291 CB THR A 92 -3.360 -5.624 -7.047 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.745 -6.897 -7.580 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.591 -4.840 -8.099 1.00 0.00 C ATOM 0 H THR A 92 -4.159 -6.244 -4.558 1.00 0.00 H new ATOM 0 HA THR A 92 -1.614 -6.388 -6.034 1.00 0.00 H new ATOM 0 HB THR A 92 -4.252 -5.059 -6.776 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.287 -6.764 -8.386 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.212 -4.714 -8.986 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.325 -3.861 -7.701 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.684 -5.382 -8.366 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.810 -4.287 -4.978 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.292 -3.026 -4.457 1.00 0.00 C ATOM 1303 C LEU A 93 0.200 -2.131 -5.590 1.00 0.00 C ATOM 1304 O LEU A 93 0.709 -2.615 -6.601 1.00 0.00 O ATOM 1305 CB LEU A 93 0.846 -3.290 -3.469 1.00 0.00 C ATOM 1306 CG LEU A 93 0.531 -4.253 -2.324 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.483 -4.028 -1.160 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.913 -4.091 -1.873 1.00 0.00 C ATOM 0 H LEU A 93 -0.102 -5.008 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.103 -2.513 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.698 -3.683 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.157 -2.337 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 93 0.666 -5.273 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.243 -4.722 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.508 -4.196 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.381 -3.005 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.119 -4.784 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.075 -3.069 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.581 -4.304 -2.708 1.00 0.00 H new ATOM 1320 N SER A 94 0.048 -0.822 -5.411 1.00 0.00 N ATOM 1321 CA SER A 94 0.475 0.141 -6.419 1.00 0.00 C ATOM 1322 C SER A 94 1.280 1.271 -5.783 1.00 0.00 C ATOM 1323 O SER A 94 0.741 2.084 -5.031 1.00 0.00 O ATOM 1324 CB SER A 94 -0.738 0.715 -7.154 1.00 0.00 C ATOM 1325 OG SER A 94 -1.094 -0.096 -8.260 1.00 0.00 O ATOM 0 H SER A 94 -0.367 -0.405 -4.578 1.00 0.00 H new ATOM 0 HA SER A 94 1.112 -0.378 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.581 0.790 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.515 1.725 -7.497 1.00 0.00 H new ATOM 0 HG SER A 94 -1.873 0.291 -8.712 1.00 0.00 H new ATOM 1331 N ILE A 95 2.571 1.315 -6.092 1.00 0.00 N ATOM 1332 CA ILE A 95 3.450 2.345 -5.552 1.00 0.00 C ATOM 1333 C ILE A 95 3.988 3.245 -6.660 1.00 0.00 C ATOM 1334 O ILE A 95 3.864 2.932 -7.844 1.00 0.00 O ATOM 1335 CB ILE A 95 4.635 1.729 -4.786 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.525 0.928 -5.738 1.00 0.00 C ATOM 1337 CG2 ILE A 95 4.133 0.847 -3.653 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.980 0.895 -5.323 1.00 0.00 C ATOM 0 H ILE A 95 3.032 0.650 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 95 2.852 2.940 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 95 5.229 2.536 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.150 -0.094 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.451 1.356 -6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.983 0.419 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.537 1.445 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.519 0.044 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.551 0.310 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.372 1.912 -5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.067 0.440 -4.336 1.00 0.00 H new ATOM 1350 N VAL A 96 4.588 4.364 -6.267 1.00 0.00 N ATOM 1351 CA VAL A 96 5.148 5.309 -7.226 1.00 0.00 C ATOM 1352 C VAL A 96 6.631 5.041 -7.459 1.00 0.00 C ATOM 1353 O VAL A 96 7.476 5.421 -6.648 1.00 0.00 O ATOM 1354 CB VAL A 96 4.968 6.763 -6.752 1.00 0.00 C ATOM 1355 CG1 VAL A 96 5.531 7.733 -7.780 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.501 7.056 -6.478 1.00 0.00 C ATOM 0 H VAL A 96 4.699 4.638 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 96 4.605 5.170 -8.161 1.00 0.00 H new ATOM 0 HB VAL A 96 5.521 6.895 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.395 8.756 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.594 7.536 -7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.008 7.603 -8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.392 8.088 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.924 6.907 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.134 6.383 -5.703 1.00 0.00 H new