USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 491 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 73 SER OG : rot 180:sc= -0.0863 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 29:sc= 0.0289 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ -113:sc= -0.0521 (180deg=-1.32) USER MOD Single : A 15 THR OG1 : rot 114:sc= -1.68 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 33 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.82) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 49 GLN : amide:sc= -5.29! C(o=-5.3!,f=-5.4!) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.115 (180deg=-0.501) USER MOD Single : A 57 GLN : amide:sc= -1.93! K(o=-1.9!,f=-1.1) USER MOD Single : A 63 THR OG1 : rot 141:sc= -0.894 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.53) USER MOD Single : A 70 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= -1.08 (180deg=-1.08) USER MOD Single : A 76 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 0.610 17.345 -7.679 1.00 63.32 N ATOM 92 CA SER A 8 1.380 17.183 -8.906 1.00 25.52 C ATOM 93 C SER A 8 1.303 15.745 -9.411 1.00 30.44 C ATOM 94 O SER A 8 1.481 15.483 -10.600 1.00 63.45 O ATOM 95 CB SER A 8 2.841 17.576 -8.672 1.00 43.52 C ATOM 96 OG SER A 8 2.951 18.943 -8.318 1.00 45.20 O ATOM 0 HA SER A 8 0.951 17.839 -9.664 1.00 25.52 H new ATOM 0 HB2 SER A 8 3.265 16.957 -7.881 1.00 43.52 H new ATOM 0 HB3 SER A 8 3.422 17.383 -9.574 1.00 43.52 H new ATOM 0 HG SER A 8 2.132 19.230 -7.863 1.00 45.20 H new ATOM 101 N MET A 9 1.035 14.818 -8.497 1.00 33.21 N ATOM 102 CA MET A 9 0.931 13.407 -8.848 1.00 44.43 C ATOM 103 C MET A 9 -0.514 12.928 -8.757 1.00 73.24 C ATOM 104 O MET A 9 -1.202 13.191 -7.770 1.00 41.04 O ATOM 105 CB MET A 9 1.820 12.565 -7.931 1.00 55.13 C ATOM 106 CG MET A 9 2.852 13.380 -7.168 1.00 14.13 C ATOM 107 SD MET A 9 4.113 14.086 -8.246 1.00 33.44 S ATOM 108 CE MET A 9 5.282 14.704 -7.038 1.00 25.43 C ATOM 0 H MET A 9 0.886 15.019 -7.508 1.00 33.21 H new ATOM 0 HA MET A 9 1.269 13.289 -9.878 1.00 44.43 H new ATOM 0 HB2 MET A 9 1.191 12.032 -7.218 1.00 55.13 H new ATOM 0 HB3 MET A 9 2.334 11.812 -8.528 1.00 55.13 H new ATOM 0 HG2 MET A 9 2.349 14.183 -6.629 1.00 14.13 H new ATOM 0 HG3 MET A 9 3.331 12.746 -6.422 1.00 14.13 H new ATOM 0 HE1 MET A 9 6.123 15.171 -7.551 1.00 25.43 H new ATOM 0 HE2 MET A 9 4.792 15.440 -6.400 1.00 25.43 H new ATOM 0 HE3 MET A 9 5.644 13.878 -6.426 1.00 25.43 H new ATOM 116 N GLN A 10 -0.967 12.225 -9.789 1.00 22.11 N ATOM 117 CA GLN A 10 -2.330 11.711 -9.824 1.00 33.52 C ATOM 118 C GLN A 10 -2.346 10.234 -10.201 1.00 41.04 C ATOM 119 O GLN A 10 -1.571 9.791 -11.049 1.00 61.32 O ATOM 120 CB GLN A 10 -3.175 12.512 -10.818 1.00 64.34 C ATOM 121 CG GLN A 10 -3.210 14.002 -10.523 1.00 64.21 C ATOM 122 CD GLN A 10 -3.357 14.841 -11.778 1.00 33.40 C ATOM 123 OE1 GLN A 10 -2.904 14.453 -12.855 1.00 31.32 O ATOM 124 NE2 GLN A 10 -3.993 16.000 -11.644 1.00 1.40 N ATOM 0 H GLN A 10 -0.410 11.998 -10.613 1.00 22.11 H new ATOM 0 HA GLN A 10 -2.756 11.817 -8.826 1.00 33.52 H new ATOM 0 HB2 GLN A 10 -2.782 12.358 -11.823 1.00 64.34 H new ATOM 0 HB3 GLN A 10 -4.194 12.125 -10.811 1.00 64.34 H new ATOM 0 HG2 GLN A 10 -4.039 14.216 -9.848 1.00 64.21 H new ATOM 0 HG3 GLN A 10 -2.295 14.288 -10.004 1.00 64.21 H new ATOM 0 HE21 GLN A 10 -4.352 16.282 -10.732 1.00 1.40 H new ATOM 0 HE22 GLN A 10 -4.122 16.608 -12.453 1.00 1.40 H new ATOM 131 N ILE A 11 -3.233 9.475 -9.564 1.00 24.14 N ATOM 132 CA ILE A 11 -3.349 8.048 -9.833 1.00 51.34 C ATOM 133 C ILE A 11 -4.786 7.570 -9.657 1.00 70.03 C ATOM 134 O ILE A 11 -5.656 8.330 -9.232 1.00 11.01 O ATOM 135 CB ILE A 11 -2.429 7.224 -8.913 1.00 31.54 C ATOM 136 CG1 ILE A 11 -1.940 5.967 -9.635 1.00 24.20 C ATOM 137 CG2 ILE A 11 -3.158 6.854 -7.629 1.00 0.04 C ATOM 138 CD1 ILE A 11 -0.474 5.670 -9.406 1.00 33.31 C ATOM 0 H ILE A 11 -3.881 9.825 -8.859 1.00 24.14 H new ATOM 0 HA ILE A 11 -3.043 7.897 -10.868 1.00 51.34 H new ATOM 0 HB ILE A 11 -1.562 7.831 -8.654 1.00 31.54 H new ATOM 0 HG12 ILE A 11 -2.531 5.114 -9.303 1.00 24.20 H new ATOM 0 HG13 ILE A 11 -2.117 6.080 -10.705 1.00 24.20 H new ATOM 0 HG21 ILE A 11 -2.495 6.272 -6.989 1.00 0.04 H new ATOM 0 HG22 ILE A 11 -3.460 7.762 -7.108 1.00 0.04 H new ATOM 0 HG23 ILE A 11 -4.041 6.263 -7.870 1.00 0.04 H new ATOM 0 HD11 ILE A 11 -0.197 4.766 -9.948 1.00 33.31 H new ATOM 0 HD12 ILE A 11 0.127 6.506 -9.764 1.00 33.31 H new ATOM 0 HD13 ILE A 11 -0.294 5.524 -8.341 1.00 33.31 H new ATOM 149 N PHE A 12 -5.028 6.305 -9.983 1.00 42.23 N ATOM 150 CA PHE A 12 -6.360 5.724 -9.860 1.00 64.54 C ATOM 151 C PHE A 12 -6.434 4.784 -8.660 1.00 33.14 C ATOM 152 O PHE A 12 -5.674 3.820 -8.564 1.00 71.10 O ATOM 153 CB PHE A 12 -6.731 4.969 -11.137 1.00 45.14 C ATOM 154 CG PHE A 12 -7.807 5.641 -11.940 1.00 22.32 C ATOM 155 CD1 PHE A 12 -7.670 6.962 -12.338 1.00 60.11 C ATOM 156 CD2 PHE A 12 -8.956 4.954 -12.297 1.00 31.44 C ATOM 157 CE1 PHE A 12 -8.658 7.584 -13.078 1.00 74.23 C ATOM 158 CE2 PHE A 12 -9.947 5.571 -13.036 1.00 72.31 C ATOM 159 CZ PHE A 12 -9.799 6.888 -13.426 1.00 52.23 C ATOM 0 H PHE A 12 -4.319 5.662 -10.335 1.00 42.23 H new ATOM 0 HA PHE A 12 -7.071 6.536 -9.708 1.00 64.54 H new ATOM 0 HB2 PHE A 12 -5.841 4.860 -11.757 1.00 45.14 H new ATOM 0 HB3 PHE A 12 -7.060 3.964 -10.873 1.00 45.14 H new ATOM 0 HD1 PHE A 12 -6.781 7.512 -12.067 1.00 60.11 H new ATOM 0 HD2 PHE A 12 -9.078 3.925 -11.994 1.00 31.44 H new ATOM 0 HE1 PHE A 12 -8.538 8.613 -13.384 1.00 74.23 H new ATOM 0 HE2 PHE A 12 -10.837 5.024 -13.309 1.00 72.31 H new ATOM 0 HZ PHE A 12 -10.574 7.372 -14.002 1.00 52.23 H new ATOM 168 N VAL A 13 -7.355 5.072 -7.745 1.00 1.41 N ATOM 169 CA VAL A 13 -7.530 4.254 -6.552 1.00 55.31 C ATOM 170 C VAL A 13 -9.003 3.949 -6.306 1.00 74.21 C ATOM 171 O VAL A 13 -9.856 4.831 -6.405 1.00 33.13 O ATOM 172 CB VAL A 13 -6.945 4.945 -5.307 1.00 54.14 C ATOM 173 CG1 VAL A 13 -7.129 4.072 -4.075 1.00 51.45 C ATOM 174 CG2 VAL A 13 -5.476 5.274 -5.521 1.00 4.42 C ATOM 0 H VAL A 13 -7.991 5.867 -7.808 1.00 1.41 H new ATOM 0 HA VAL A 13 -6.993 3.321 -6.726 1.00 55.31 H new ATOM 0 HB VAL A 13 -7.484 5.879 -5.145 1.00 54.14 H new ATOM 0 HG11 VAL A 13 -6.709 4.577 -3.205 1.00 51.45 H new ATOM 0 HG12 VAL A 13 -8.192 3.892 -3.912 1.00 51.45 H new ATOM 0 HG13 VAL A 13 -6.618 3.121 -4.224 1.00 51.45 H new ATOM 0 HG21 VAL A 13 -5.079 5.762 -4.631 1.00 4.42 H new ATOM 0 HG22 VAL A 13 -4.921 4.355 -5.709 1.00 4.42 H new ATOM 0 HG23 VAL A 13 -5.374 5.941 -6.377 1.00 4.42 H new ATOM 184 N LYS A 14 -9.297 2.694 -5.984 1.00 35.50 N ATOM 185 CA LYS A 14 -10.668 2.271 -5.720 1.00 2.51 C ATOM 186 C LYS A 14 -10.805 1.723 -4.304 1.00 32.53 C ATOM 187 O LYS A 14 -9.898 1.070 -3.787 1.00 20.54 O ATOM 188 CB LYS A 14 -11.098 1.208 -6.733 1.00 51.50 C ATOM 189 CG LYS A 14 -11.076 1.694 -8.172 1.00 10.14 C ATOM 190 CD LYS A 14 -12.345 2.453 -8.524 1.00 11.33 C ATOM 191 CE LYS A 14 -12.234 3.123 -9.885 1.00 15.40 C ATOM 192 NZ LYS A 14 -13.499 3.808 -10.271 1.00 61.43 N ATOM 0 H LYS A 14 -8.603 1.951 -5.899 1.00 35.50 H new ATOM 0 HA LYS A 14 -11.316 3.142 -5.818 1.00 2.51 H new ATOM 0 HB2 LYS A 14 -10.441 0.343 -6.640 1.00 51.50 H new ATOM 0 HB3 LYS A 14 -12.105 0.871 -6.488 1.00 51.50 H new ATOM 0 HG2 LYS A 14 -10.211 2.339 -8.326 1.00 10.14 H new ATOM 0 HG3 LYS A 14 -10.962 0.842 -8.843 1.00 10.14 H new ATOM 0 HD2 LYS A 14 -13.192 1.768 -8.523 1.00 11.33 H new ATOM 0 HD3 LYS A 14 -12.543 3.206 -7.761 1.00 11.33 H new ATOM 0 HE2 LYS A 14 -11.420 3.847 -9.868 1.00 15.40 H new ATOM 0 HE3 LYS A 14 -11.981 2.376 -10.638 1.00 15.40 H new ATOM 0 HZ1 LYS A 14 -13.922 3.321 -11.087 1.00 61.43 H new ATOM 0 HZ2 LYS A 14 -14.164 3.786 -9.471 1.00 61.43 H new ATOM 0 HZ3 LYS A 14 -13.295 4.796 -10.525 1.00 61.43 H new ATOM 202 N THR A 15 -11.948 1.992 -3.679 1.00 22.22 N ATOM 203 CA THR A 15 -12.205 1.527 -2.321 1.00 11.31 C ATOM 204 C THR A 15 -13.055 0.261 -2.326 1.00 11.24 C ATOM 205 O THR A 15 -13.375 -0.281 -3.386 1.00 23.50 O ATOM 206 CB THR A 15 -12.915 2.606 -1.482 1.00 13.34 C ATOM 207 OG1 THR A 15 -14.304 2.658 -1.827 1.00 3.22 O ATOM 208 CG2 THR A 15 -12.280 3.969 -1.705 1.00 21.24 C ATOM 0 H THR A 15 -12.710 2.530 -4.092 1.00 22.22 H new ATOM 0 HA THR A 15 -11.236 1.309 -1.872 1.00 11.31 H new ATOM 0 HB THR A 15 -12.812 2.344 -0.429 1.00 13.34 H new ATOM 0 HG1 THR A 15 -14.842 2.369 -1.061 1.00 3.22 H new ATOM 0 HG21 THR A 15 -12.798 4.715 -1.102 1.00 21.24 H new ATOM 0 HG22 THR A 15 -11.230 3.933 -1.414 1.00 21.24 H new ATOM 0 HG23 THR A 15 -12.356 4.238 -2.759 1.00 21.24 H new ATOM 216 N LEU A 16 -13.419 -0.205 -1.137 1.00 43.53 N ATOM 217 CA LEU A 16 -14.233 -1.409 -1.004 1.00 12.15 C ATOM 218 C LEU A 16 -15.662 -1.154 -1.477 1.00 24.31 C ATOM 219 O LEU A 16 -16.322 -2.050 -2.002 1.00 75.11 O ATOM 220 CB LEU A 16 -14.242 -1.884 0.449 1.00 34.21 C ATOM 221 CG LEU A 16 -12.901 -1.828 1.183 1.00 2.13 C ATOM 222 CD1 LEU A 16 -13.068 -2.251 2.634 1.00 2.42 C ATOM 223 CD2 LEU A 16 -11.874 -2.706 0.483 1.00 5.43 C ATOM 0 H LEU A 16 -13.164 0.232 -0.251 1.00 43.53 H new ATOM 0 HA LEU A 16 -13.795 -2.186 -1.631 1.00 12.15 H new ATOM 0 HB2 LEU A 16 -14.962 -1.281 1.003 1.00 34.21 H new ATOM 0 HB3 LEU A 16 -14.603 -2.912 0.472 1.00 34.21 H new ATOM 0 HG LEU A 16 -12.542 -0.799 1.166 1.00 2.13 H new ATOM 0 HD11 LEU A 16 -12.104 -2.205 3.140 1.00 2.42 H new ATOM 0 HD12 LEU A 16 -13.770 -1.581 3.130 1.00 2.42 H new ATOM 0 HD13 LEU A 16 -13.450 -3.271 2.674 1.00 2.42 H new ATOM 0 HD21 LEU A 16 -10.926 -2.654 1.018 1.00 5.43 H new ATOM 0 HD22 LEU A 16 -12.227 -3.737 0.468 1.00 5.43 H new ATOM 0 HD23 LEU A 16 -11.733 -2.356 -0.540 1.00 5.43 H new ATOM 234 N THR A 17 -16.131 0.075 -1.288 1.00 30.21 N ATOM 235 CA THR A 17 -17.480 0.449 -1.695 1.00 40.21 C ATOM 236 C THR A 17 -17.511 0.891 -3.154 1.00 60.20 C ATOM 237 O THR A 17 -18.549 0.822 -3.811 1.00 43.42 O ATOM 238 CB THR A 17 -18.039 1.581 -0.815 1.00 32.33 C ATOM 239 OG1 THR A 17 -19.470 1.528 -0.797 1.00 43.31 O ATOM 240 CG2 THR A 17 -17.583 2.939 -1.326 1.00 31.44 C ATOM 0 H THR A 17 -15.597 0.829 -0.856 1.00 30.21 H new ATOM 0 HA THR A 17 -18.104 -0.436 -1.573 1.00 40.21 H new ATOM 0 HB THR A 17 -17.659 1.445 0.197 1.00 32.33 H new ATOM 0 HG1 THR A 17 -19.817 2.251 -0.234 1.00 43.31 H new ATOM 0 HG21 THR A 17 -17.991 3.723 -0.688 1.00 31.44 H new ATOM 0 HG22 THR A 17 -16.494 2.987 -1.310 1.00 31.44 H new ATOM 0 HG23 THR A 17 -17.937 3.081 -2.347 1.00 31.44 H new ATOM 248 N GLY A 18 -16.367 1.347 -3.653 1.00 4.30 N ATOM 249 CA GLY A 18 -16.284 1.794 -5.032 1.00 54.21 C ATOM 250 C GLY A 18 -15.920 3.261 -5.145 1.00 0.33 C ATOM 251 O GLY A 18 -16.035 3.856 -6.216 1.00 3.55 O ATOM 0 H GLY A 18 -15.496 1.415 -3.127 1.00 4.30 H new ATOM 0 HA2 GLY A 18 -15.541 1.197 -5.560 1.00 54.21 H new ATOM 0 HA3 GLY A 18 -17.241 1.621 -5.525 1.00 54.21 H new ATOM 255 N LYS A 19 -15.479 3.847 -4.037 1.00 72.04 N ATOM 256 CA LYS A 19 -15.096 5.253 -4.014 1.00 14.12 C ATOM 257 C LYS A 19 -13.776 5.470 -4.749 1.00 13.42 C ATOM 258 O LYS A 19 -12.928 4.579 -4.799 1.00 52.30 O ATOM 259 CB LYS A 19 -14.975 5.747 -2.571 1.00 34.25 C ATOM 260 CG LYS A 19 -16.241 6.402 -2.044 1.00 3.51 C ATOM 261 CD LYS A 19 -16.502 7.736 -2.724 1.00 4.04 C ATOM 262 CE LYS A 19 -17.992 8.009 -2.861 1.00 64.42 C ATOM 263 NZ LYS A 19 -18.569 7.351 -4.066 1.00 63.02 N ATOM 0 H LYS A 19 -15.378 3.369 -3.142 1.00 72.04 H new ATOM 0 HA LYS A 19 -15.873 5.823 -4.523 1.00 14.12 H new ATOM 0 HB2 LYS A 19 -14.717 4.905 -1.928 1.00 34.25 H new ATOM 0 HB3 LYS A 19 -14.153 6.460 -2.508 1.00 34.25 H new ATOM 0 HG2 LYS A 19 -17.090 5.738 -2.206 1.00 3.51 H new ATOM 0 HG3 LYS A 19 -16.154 6.552 -0.968 1.00 3.51 H new ATOM 0 HD2 LYS A 19 -16.036 8.536 -2.149 1.00 4.04 H new ATOM 0 HD3 LYS A 19 -16.038 7.740 -3.710 1.00 4.04 H new ATOM 0 HE2 LYS A 19 -18.510 7.653 -1.970 1.00 64.42 H new ATOM 0 HE3 LYS A 19 -18.160 9.084 -2.919 1.00 64.42 H new ATOM 0 HZ1 LYS A 19 -19.586 7.561 -4.123 1.00 63.02 H new ATOM 0 HZ2 LYS A 19 -18.093 7.709 -4.919 1.00 63.02 H new ATOM 0 HZ3 LYS A 19 -18.432 6.322 -3.999 1.00 63.02 H new ATOM 273 N THR A 20 -13.610 6.660 -5.318 1.00 51.54 N ATOM 274 CA THR A 20 -12.394 6.993 -6.049 1.00 50.45 C ATOM 275 C THR A 20 -11.635 8.124 -5.366 1.00 43.11 C ATOM 276 O THR A 20 -12.203 9.175 -5.067 1.00 13.53 O ATOM 277 CB THR A 20 -12.706 7.402 -7.501 1.00 41.41 C ATOM 278 OG1 THR A 20 -14.091 7.742 -7.627 1.00 52.35 O ATOM 279 CG2 THR A 20 -12.364 6.277 -8.466 1.00 75.43 C ATOM 0 H THR A 20 -14.302 7.409 -5.287 1.00 51.54 H new ATOM 0 HA THR A 20 -11.774 6.096 -6.057 1.00 50.45 H new ATOM 0 HB THR A 20 -12.095 8.270 -7.750 1.00 41.41 H new ATOM 0 HG1 THR A 20 -14.281 8.003 -8.552 1.00 52.35 H new ATOM 0 HG21 THR A 20 -12.593 6.589 -9.485 1.00 75.43 H new ATOM 0 HG22 THR A 20 -11.303 6.041 -8.389 1.00 75.43 H new ATOM 0 HG23 THR A 20 -12.951 5.393 -8.217 1.00 75.43 H new ATOM 287 N ILE A 21 -10.347 7.904 -5.124 1.00 24.50 N ATOM 288 CA ILE A 21 -9.509 8.907 -4.478 1.00 72.25 C ATOM 289 C ILE A 21 -8.194 9.089 -5.226 1.00 23.45 C ATOM 290 O ILE A 21 -7.552 8.117 -5.625 1.00 31.03 O ATOM 291 CB ILE A 21 -9.206 8.530 -3.015 1.00 20.12 C ATOM 292 CG1 ILE A 21 -9.060 7.014 -2.876 1.00 51.33 C ATOM 293 CG2 ILE A 21 -10.304 9.049 -2.097 1.00 40.13 C ATOM 294 CD1 ILE A 21 -10.366 6.303 -2.603 1.00 35.23 C ATOM 0 H ILE A 21 -9.861 7.040 -5.365 1.00 24.50 H new ATOM 0 HA ILE A 21 -10.067 9.843 -4.496 1.00 72.25 H new ATOM 0 HB ILE A 21 -8.264 8.995 -2.722 1.00 20.12 H new ATOM 0 HG12 ILE A 21 -8.622 6.614 -3.791 1.00 51.33 H new ATOM 0 HG13 ILE A 21 -8.362 6.797 -2.067 1.00 51.33 H new ATOM 0 HG21 ILE A 21 -10.077 8.775 -1.067 1.00 40.13 H new ATOM 0 HG22 ILE A 21 -10.364 10.134 -2.179 1.00 40.13 H new ATOM 0 HG23 ILE A 21 -11.258 8.610 -2.387 1.00 40.13 H new ATOM 0 HD11 ILE A 21 -10.186 5.231 -2.516 1.00 35.23 H new ATOM 0 HD12 ILE A 21 -10.795 6.675 -1.673 1.00 35.23 H new ATOM 0 HD13 ILE A 21 -11.060 6.489 -3.423 1.00 35.23 H new ATOM 305 N THR A 22 -7.794 10.344 -5.413 1.00 0.25 N ATOM 306 CA THR A 22 -6.555 10.656 -6.114 1.00 44.11 C ATOM 307 C THR A 22 -5.349 10.482 -5.199 1.00 64.35 C ATOM 308 O THR A 22 -5.245 11.136 -4.160 1.00 54.24 O ATOM 309 CB THR A 22 -6.566 12.095 -6.663 1.00 41.42 C ATOM 310 OG1 THR A 22 -7.913 12.572 -6.756 1.00 5.15 O ATOM 311 CG2 THR A 22 -5.903 12.157 -8.031 1.00 14.41 C ATOM 0 H THR A 22 -8.311 11.161 -5.088 1.00 0.25 H new ATOM 0 HA THR A 22 -6.479 9.959 -6.948 1.00 44.11 H new ATOM 0 HB THR A 22 -6.004 12.728 -5.977 1.00 41.42 H new ATOM 0 HG1 THR A 22 -7.912 13.488 -7.104 1.00 5.15 H new ATOM 0 HG21 THR A 22 -5.923 13.183 -8.399 1.00 14.41 H new ATOM 0 HG22 THR A 22 -4.870 11.820 -7.950 1.00 14.41 H new ATOM 0 HG23 THR A 22 -6.441 11.512 -8.726 1.00 14.41 H new ATOM 319 N LEU A 23 -4.437 9.598 -5.590 1.00 20.34 N ATOM 320 CA LEU A 23 -3.235 9.340 -4.805 1.00 64.32 C ATOM 321 C LEU A 23 -1.983 9.742 -5.577 1.00 4.04 C ATOM 322 O LEU A 23 -2.005 9.844 -6.803 1.00 65.30 O ATOM 323 CB LEU A 23 -3.159 7.860 -4.424 1.00 32.11 C ATOM 324 CG LEU A 23 -3.213 7.549 -2.928 1.00 35.02 C ATOM 325 CD1 LEU A 23 -4.400 6.652 -2.611 1.00 12.35 C ATOM 326 CD2 LEU A 23 -1.915 6.899 -2.472 1.00 74.13 C ATOM 0 H LEU A 23 -4.507 9.048 -6.446 1.00 20.34 H new ATOM 0 HA LEU A 23 -3.288 9.941 -3.897 1.00 64.32 H new ATOM 0 HB2 LEU A 23 -3.980 7.337 -4.913 1.00 32.11 H new ATOM 0 HB3 LEU A 23 -2.234 7.449 -4.827 1.00 32.11 H new ATOM 0 HG LEU A 23 -3.338 8.486 -2.386 1.00 35.02 H new ATOM 0 HD11 LEU A 23 -4.422 6.442 -1.542 1.00 12.35 H new ATOM 0 HD12 LEU A 23 -5.323 7.154 -2.901 1.00 12.35 H new ATOM 0 HD13 LEU A 23 -4.307 5.717 -3.163 1.00 12.35 H new ATOM 0 HD21 LEU A 23 -1.971 6.684 -1.405 1.00 74.13 H new ATOM 0 HD22 LEU A 23 -1.761 5.970 -3.021 1.00 74.13 H new ATOM 0 HD23 LEU A 23 -1.082 7.576 -2.663 1.00 74.13 H new ATOM 337 N GLU A 24 -0.892 9.967 -4.850 1.00 31.14 N ATOM 338 CA GLU A 24 0.370 10.357 -5.468 1.00 4.34 C ATOM 339 C GLU A 24 1.342 9.182 -5.506 1.00 63.15 C ATOM 340 O GLU A 24 1.288 8.289 -4.660 1.00 2.34 O ATOM 341 CB GLU A 24 0.996 11.528 -4.708 1.00 73.23 C ATOM 342 CG GLU A 24 1.417 11.177 -3.290 1.00 31.40 C ATOM 343 CD GLU A 24 2.095 12.332 -2.580 1.00 61.31 C ATOM 344 OE1 GLU A 24 2.472 13.308 -3.263 1.00 62.02 O ATOM 345 OE2 GLU A 24 2.249 12.261 -1.343 1.00 64.14 O ATOM 0 H GLU A 24 -0.857 9.886 -3.834 1.00 31.14 H new ATOM 0 HA GLU A 24 0.163 10.668 -6.492 1.00 4.34 H new ATOM 0 HB2 GLU A 24 1.866 11.884 -5.259 1.00 73.23 H new ATOM 0 HB3 GLU A 24 0.282 12.351 -4.673 1.00 73.23 H new ATOM 0 HG2 GLU A 24 0.540 10.870 -2.720 1.00 31.40 H new ATOM 0 HG3 GLU A 24 2.095 10.324 -3.317 1.00 31.40 H new ATOM 350 N VAL A 25 2.233 9.189 -6.493 1.00 0.33 N ATOM 351 CA VAL A 25 3.218 8.126 -6.642 1.00 51.32 C ATOM 352 C VAL A 25 4.533 8.668 -7.193 1.00 75.34 C ATOM 353 O VAL A 25 4.542 9.589 -8.008 1.00 10.10 O ATOM 354 CB VAL A 25 2.705 7.011 -7.573 1.00 61.05 C ATOM 355 CG1 VAL A 25 1.800 6.054 -6.813 1.00 64.33 C ATOM 356 CG2 VAL A 25 1.979 7.609 -8.769 1.00 54.34 C ATOM 0 H VAL A 25 2.292 9.920 -7.202 1.00 0.33 H new ATOM 0 HA VAL A 25 3.387 7.710 -5.649 1.00 51.32 H new ATOM 0 HB VAL A 25 3.561 6.446 -7.941 1.00 61.05 H new ATOM 0 HG11 VAL A 25 1.448 5.274 -7.487 1.00 64.33 H new ATOM 0 HG12 VAL A 25 2.357 5.601 -5.993 1.00 64.33 H new ATOM 0 HG13 VAL A 25 0.946 6.601 -6.413 1.00 64.33 H new ATOM 0 HG21 VAL A 25 1.623 6.808 -9.417 1.00 54.34 H new ATOM 0 HG22 VAL A 25 1.131 8.199 -8.422 1.00 54.34 H new ATOM 0 HG23 VAL A 25 2.662 8.249 -9.327 1.00 54.34 H new ATOM 366 N GLU A 26 5.641 8.088 -6.741 1.00 0.04 N ATOM 367 CA GLU A 26 6.962 8.514 -7.189 1.00 60.11 C ATOM 368 C GLU A 26 7.999 7.424 -6.936 1.00 64.12 C ATOM 369 O GLU A 26 7.831 6.559 -6.077 1.00 73.23 O ATOM 370 CB GLU A 26 7.375 9.803 -6.476 1.00 23.52 C ATOM 371 CG GLU A 26 7.396 11.022 -7.384 1.00 50.40 C ATOM 372 CD GLU A 26 8.688 11.807 -7.277 1.00 64.30 C ATOM 373 OE1 GLU A 26 9.217 11.930 -6.152 1.00 41.45 O ATOM 374 OE2 GLU A 26 9.172 12.299 -8.318 1.00 74.31 O ATOM 0 H GLU A 26 5.650 7.323 -6.066 1.00 0.04 H new ATOM 0 HA GLU A 26 6.912 8.701 -8.262 1.00 60.11 H new ATOM 0 HB2 GLU A 26 6.688 9.987 -5.650 1.00 23.52 H new ATOM 0 HB3 GLU A 26 8.366 9.667 -6.042 1.00 23.52 H new ATOM 0 HG2 GLU A 26 7.253 10.704 -8.417 1.00 50.40 H new ATOM 0 HG3 GLU A 26 6.558 11.672 -7.132 1.00 50.40 H new ATOM 379 N PRO A 27 9.100 7.466 -7.702 1.00 21.41 N ATOM 380 CA PRO A 27 10.187 6.491 -7.580 1.00 13.30 C ATOM 381 C PRO A 27 10.967 6.652 -6.280 1.00 62.22 C ATOM 382 O PRO A 27 11.621 5.717 -5.817 1.00 54.35 O ATOM 383 CB PRO A 27 11.081 6.804 -8.783 1.00 72.20 C ATOM 384 CG PRO A 27 10.812 8.236 -9.092 1.00 61.33 C ATOM 385 CD PRO A 27 9.368 8.470 -8.746 1.00 53.10 C ATOM 0 HA PRO A 27 9.816 5.466 -7.563 1.00 13.30 H new ATOM 0 HB2 PRO A 27 12.133 6.640 -8.548 1.00 72.20 H new ATOM 0 HB3 PRO A 27 10.841 6.164 -9.632 1.00 72.20 H new ATOM 0 HG2 PRO A 27 11.463 8.889 -8.511 1.00 61.33 H new ATOM 0 HG3 PRO A 27 11.001 8.450 -10.144 1.00 61.33 H new ATOM 0 HD2 PRO A 27 9.201 9.483 -8.381 1.00 53.10 H new ATOM 0 HD3 PRO A 27 8.720 8.332 -9.612 1.00 53.10 H new ATOM 390 N SER A 28 10.894 7.842 -5.695 1.00 23.24 N ATOM 391 CA SER A 28 11.597 8.127 -4.449 1.00 1.30 C ATOM 392 C SER A 28 10.614 8.267 -3.291 1.00 73.45 C ATOM 393 O SER A 28 10.997 8.621 -2.176 1.00 71.42 O ATOM 394 CB SER A 28 12.426 9.405 -4.586 1.00 2.32 C ATOM 395 OG SER A 28 11.621 10.493 -5.004 1.00 0.53 O ATOM 0 H SER A 28 10.355 8.626 -6.063 1.00 23.24 H new ATOM 0 HA SER A 28 12.264 7.291 -4.238 1.00 1.30 H new ATOM 0 HB2 SER A 28 12.895 9.642 -3.631 1.00 2.32 H new ATOM 0 HB3 SER A 28 13.229 9.246 -5.305 1.00 2.32 H new ATOM 0 HG SER A 28 12.174 11.298 -5.082 1.00 0.53 H new ATOM 400 N ASP A 29 9.343 7.988 -3.564 1.00 43.24 N ATOM 401 CA ASP A 29 8.304 8.081 -2.546 1.00 33.40 C ATOM 402 C ASP A 29 7.683 6.714 -2.277 1.00 61.30 C ATOM 403 O ASP A 29 7.680 5.840 -3.143 1.00 73.41 O ATOM 404 CB ASP A 29 7.223 9.071 -2.981 1.00 15.12 C ATOM 405 CG ASP A 29 5.866 8.412 -3.141 1.00 43.01 C ATOM 406 OD1 ASP A 29 5.718 7.575 -4.056 1.00 52.12 O ATOM 407 OD2 ASP A 29 4.953 8.733 -2.352 1.00 65.10 O ATOM 0 H ASP A 29 9.009 7.696 -4.482 1.00 43.24 H new ATOM 0 HA ASP A 29 8.763 8.438 -1.624 1.00 33.40 H new ATOM 0 HB2 ASP A 29 7.150 9.872 -2.245 1.00 15.12 H new ATOM 0 HB3 ASP A 29 7.514 9.531 -3.925 1.00 15.12 H new ATOM 411 N THR A 30 7.157 6.537 -1.068 1.00 44.32 N ATOM 412 CA THR A 30 6.535 5.276 -0.683 1.00 3.31 C ATOM 413 C THR A 30 5.143 5.504 -0.107 1.00 72.21 C ATOM 414 O THR A 30 4.714 6.644 0.073 1.00 63.41 O ATOM 415 CB THR A 30 7.389 4.521 0.352 1.00 45.01 C ATOM 416 OG1 THR A 30 6.841 3.218 0.584 1.00 62.01 O ATOM 417 CG2 THR A 30 7.455 5.289 1.663 1.00 25.21 C ATOM 0 H THR A 30 7.150 7.251 -0.339 1.00 44.32 H new ATOM 0 HA THR A 30 6.457 4.673 -1.588 1.00 3.31 H new ATOM 0 HB THR A 30 8.399 4.424 -0.046 1.00 45.01 H new ATOM 0 HG1 THR A 30 7.391 2.744 1.242 1.00 62.01 H new ATOM 0 HG21 THR A 30 8.064 4.736 2.378 1.00 25.21 H new ATOM 0 HG22 THR A 30 7.900 6.269 1.489 1.00 25.21 H new ATOM 0 HG23 THR A 30 6.449 5.414 2.063 1.00 25.21 H new ATOM 425 N ILE A 31 4.440 4.413 0.180 1.00 63.55 N ATOM 426 CA ILE A 31 3.096 4.495 0.738 1.00 70.24 C ATOM 427 C ILE A 31 3.068 5.387 1.974 1.00 62.52 C ATOM 428 O ILE A 31 2.020 5.914 2.346 1.00 73.41 O ATOM 429 CB ILE A 31 2.557 3.102 1.113 1.00 54.15 C ATOM 430 CG1 ILE A 31 2.663 2.151 -0.082 1.00 61.22 C ATOM 431 CG2 ILE A 31 1.115 3.203 1.589 1.00 41.33 C ATOM 432 CD1 ILE A 31 2.130 2.738 -1.370 1.00 14.23 C ATOM 0 H ILE A 31 4.779 3.462 0.035 1.00 63.55 H new ATOM 0 HA ILE A 31 2.459 4.927 -0.034 1.00 70.24 H new ATOM 0 HB ILE A 31 3.161 2.702 1.927 1.00 54.15 H new ATOM 0 HG12 ILE A 31 3.707 1.873 -0.224 1.00 61.22 H new ATOM 0 HG13 ILE A 31 2.117 1.235 0.144 1.00 61.22 H new ATOM 0 HG21 ILE A 31 0.748 2.211 1.850 1.00 41.33 H new ATOM 0 HG22 ILE A 31 1.065 3.851 2.464 1.00 41.33 H new ATOM 0 HG23 ILE A 31 0.498 3.620 0.794 1.00 41.33 H new ATOM 0 HD11 ILE A 31 2.237 2.009 -2.174 1.00 14.23 H new ATOM 0 HD12 ILE A 31 1.077 2.990 -1.247 1.00 14.23 H new ATOM 0 HD13 ILE A 31 2.692 3.638 -1.619 1.00 14.23 H new ATOM 443 N GLU A 32 4.227 5.554 2.605 1.00 53.11 N ATOM 444 CA GLU A 32 4.333 6.385 3.798 1.00 60.34 C ATOM 445 C GLU A 32 4.103 7.854 3.461 1.00 5.13 C ATOM 446 O GLU A 32 3.484 8.589 4.230 1.00 53.50 O ATOM 447 CB GLU A 32 5.708 6.209 4.448 1.00 43.22 C ATOM 448 CG GLU A 32 5.797 6.786 5.850 1.00 63.33 C ATOM 449 CD GLU A 32 7.128 6.497 6.516 1.00 65.52 C ATOM 450 OE1 GLU A 32 7.561 5.327 6.495 1.00 41.14 O ATOM 451 OE2 GLU A 32 7.737 7.443 7.058 1.00 30.41 O ATOM 0 H GLU A 32 5.104 5.125 2.310 1.00 53.11 H new ATOM 0 HA GLU A 32 3.563 6.067 4.500 1.00 60.34 H new ATOM 0 HB2 GLU A 32 5.949 5.147 4.485 1.00 43.22 H new ATOM 0 HB3 GLU A 32 6.461 6.685 3.820 1.00 43.22 H new ATOM 0 HG2 GLU A 32 5.644 7.864 5.806 1.00 63.33 H new ATOM 0 HG3 GLU A 32 4.993 6.375 6.460 1.00 63.33 H new ATOM 456 N ASN A 33 4.607 8.276 2.306 1.00 12.14 N ATOM 457 CA ASN A 33 4.457 9.659 1.866 1.00 41.35 C ATOM 458 C ASN A 33 3.074 9.892 1.267 1.00 4.34 C ATOM 459 O ASN A 33 2.381 10.844 1.628 1.00 52.52 O ATOM 460 CB ASN A 33 5.536 10.009 0.840 1.00 43.51 C ATOM 461 CG ASN A 33 6.799 10.546 1.486 1.00 74.34 C ATOM 462 OD1 ASN A 33 6.739 11.314 2.446 1.00 30.02 O ATOM 463 ND2 ASN A 33 7.950 10.141 0.963 1.00 12.32 N ATOM 0 H ASN A 33 5.123 7.681 1.658 1.00 12.14 H new ATOM 0 HA ASN A 33 4.570 10.306 2.736 1.00 41.35 H new ATOM 0 HB2 ASN A 33 5.779 9.121 0.256 1.00 43.51 H new ATOM 0 HB3 ASN A 33 5.144 10.751 0.144 1.00 43.51 H new ATOM 0 HD21 ASN A 33 8.832 10.467 1.357 1.00 12.32 H new ATOM 0 HD22 ASN A 33 7.952 9.503 0.167 1.00 12.32 H new ATOM 469 N VAL A 34 2.677 9.017 0.348 1.00 43.41 N ATOM 470 CA VAL A 34 1.377 9.125 -0.301 1.00 60.41 C ATOM 471 C VAL A 34 0.259 9.257 0.727 1.00 53.14 C ATOM 472 O VAL A 34 -0.782 9.856 0.457 1.00 13.52 O ATOM 473 CB VAL A 34 1.094 7.907 -1.199 1.00 15.31 C ATOM 474 CG1 VAL A 34 2.304 7.587 -2.064 1.00 74.42 C ATOM 475 CG2 VAL A 34 0.699 6.704 -0.355 1.00 72.30 C ATOM 0 H VAL A 34 3.239 8.225 0.036 1.00 43.41 H new ATOM 0 HA VAL A 34 1.406 10.022 -0.919 1.00 60.41 H new ATOM 0 HB VAL A 34 0.261 8.150 -1.858 1.00 15.31 H new ATOM 0 HG11 VAL A 34 2.084 6.723 -2.692 1.00 74.42 H new ATOM 0 HG12 VAL A 34 2.537 8.444 -2.695 1.00 74.42 H new ATOM 0 HG13 VAL A 34 3.159 7.364 -1.426 1.00 74.42 H new ATOM 0 HG21 VAL A 34 0.502 5.852 -1.006 1.00 72.30 H new ATOM 0 HG22 VAL A 34 1.510 6.458 0.330 1.00 72.30 H new ATOM 0 HG23 VAL A 34 -0.199 6.939 0.216 1.00 72.30 H new ATOM 485 N LYS A 35 0.481 8.692 1.910 1.00 34.24 N ATOM 486 CA LYS A 35 -0.506 8.746 2.981 1.00 34.21 C ATOM 487 C LYS A 35 -0.990 10.176 3.204 1.00 44.43 C ATOM 488 O LYS A 35 -2.117 10.398 3.643 1.00 13.24 O ATOM 489 CB LYS A 35 0.087 8.189 4.277 1.00 32.41 C ATOM 490 CG LYS A 35 0.797 9.235 5.120 1.00 11.20 C ATOM 491 CD LYS A 35 1.494 8.608 6.315 1.00 73.20 C ATOM 492 CE LYS A 35 2.620 9.491 6.831 1.00 21.33 C ATOM 493 NZ LYS A 35 2.165 10.383 7.933 1.00 61.32 N ATOM 0 H LYS A 35 1.337 8.191 2.150 1.00 34.24 H new ATOM 0 HA LYS A 35 -1.359 8.135 2.686 1.00 34.21 H new ATOM 0 HB2 LYS A 35 -0.711 7.739 4.868 1.00 32.41 H new ATOM 0 HB3 LYS A 35 0.790 7.393 4.032 1.00 32.41 H new ATOM 0 HG2 LYS A 35 1.528 9.763 4.507 1.00 11.20 H new ATOM 0 HG3 LYS A 35 0.076 9.976 5.466 1.00 11.20 H new ATOM 0 HD2 LYS A 35 0.770 8.438 7.112 1.00 73.20 H new ATOM 0 HD3 LYS A 35 1.894 7.634 6.034 1.00 73.20 H new ATOM 0 HE2 LYS A 35 3.439 8.865 7.185 1.00 21.33 H new ATOM 0 HE3 LYS A 35 3.012 10.095 6.013 1.00 21.33 H new ATOM 0 HZ1 LYS A 35 2.961 10.968 8.257 1.00 61.32 H new ATOM 0 HZ2 LYS A 35 1.401 10.998 7.588 1.00 61.32 H new ATOM 0 HZ3 LYS A 35 1.815 9.806 8.724 1.00 61.32 H new ATOM 503 N ALA A 36 -0.129 11.141 2.898 1.00 12.03 N ATOM 504 CA ALA A 36 -0.470 12.549 3.061 1.00 73.13 C ATOM 505 C ALA A 36 -1.407 13.019 1.954 1.00 35.15 C ATOM 506 O ALA A 36 -2.307 13.827 2.188 1.00 52.44 O ATOM 507 CB ALA A 36 0.792 13.399 3.084 1.00 53.40 C ATOM 0 H ALA A 36 0.810 10.973 2.536 1.00 12.03 H new ATOM 0 HA ALA A 36 -0.989 12.663 4.013 1.00 73.13 H new ATOM 0 HB1 ALA A 36 0.522 14.448 3.206 1.00 53.40 H new ATOM 0 HB2 ALA A 36 1.425 13.088 3.915 1.00 53.40 H new ATOM 0 HB3 ALA A 36 1.334 13.271 2.147 1.00 53.40 H new ATOM 513 N LYS A 37 -1.191 12.508 0.746 1.00 3.05 N ATOM 514 CA LYS A 37 -2.017 12.875 -0.399 1.00 64.24 C ATOM 515 C LYS A 37 -3.404 12.253 -0.291 1.00 54.11 C ATOM 516 O LYS A 37 -4.416 12.940 -0.431 1.00 3.22 O ATOM 517 CB LYS A 37 -1.346 12.430 -1.701 1.00 62.42 C ATOM 518 CG LYS A 37 -1.350 13.496 -2.782 1.00 5.23 C ATOM 519 CD LYS A 37 -0.174 14.446 -2.633 1.00 25.43 C ATOM 520 CE LYS A 37 -0.634 15.851 -2.272 1.00 14.04 C ATOM 521 NZ LYS A 37 -1.188 16.572 -3.452 1.00 24.34 N ATOM 0 H LYS A 37 -0.451 11.839 0.535 1.00 3.05 H new ATOM 0 HA LYS A 37 -2.125 13.960 -0.405 1.00 64.24 H new ATOM 0 HB2 LYS A 37 -0.316 12.143 -1.489 1.00 62.42 H new ATOM 0 HB3 LYS A 37 -1.854 11.542 -2.077 1.00 62.42 H new ATOM 0 HG2 LYS A 37 -1.313 13.021 -3.762 1.00 5.23 H new ATOM 0 HG3 LYS A 37 -2.282 14.059 -2.735 1.00 5.23 H new ATOM 0 HD2 LYS A 37 0.500 14.074 -1.862 1.00 25.43 H new ATOM 0 HD3 LYS A 37 0.392 14.475 -3.564 1.00 25.43 H new ATOM 0 HE2 LYS A 37 -1.392 15.796 -1.491 1.00 14.04 H new ATOM 0 HE3 LYS A 37 0.205 16.414 -1.863 1.00 14.04 H new ATOM 0 HZ1 LYS A 37 -1.490 17.525 -3.166 1.00 24.34 H new ATOM 0 HZ2 LYS A 37 -0.457 16.647 -4.188 1.00 24.34 H new ATOM 0 HZ3 LYS A 37 -2.004 16.048 -3.827 1.00 24.34 H new ATOM 531 N ILE A 38 -3.445 10.949 -0.040 1.00 74.24 N ATOM 532 CA ILE A 38 -4.709 10.235 0.090 1.00 54.25 C ATOM 533 C ILE A 38 -5.528 10.773 1.259 1.00 64.25 C ATOM 534 O ILE A 38 -6.736 10.973 1.142 1.00 72.44 O ATOM 535 CB ILE A 38 -4.485 8.724 0.288 1.00 41.15 C ATOM 536 CG1 ILE A 38 -5.825 8.006 0.460 1.00 74.35 C ATOM 537 CG2 ILE A 38 -3.586 8.474 1.489 1.00 23.54 C ATOM 538 CD1 ILE A 38 -6.813 8.295 -0.648 1.00 2.41 C ATOM 0 H ILE A 38 -2.617 10.365 0.077 1.00 74.24 H new ATOM 0 HA ILE A 38 -5.257 10.395 -0.838 1.00 54.25 H new ATOM 0 HB ILE A 38 -3.992 8.326 -0.599 1.00 41.15 H new ATOM 0 HG12 ILE A 38 -5.649 6.931 0.507 1.00 74.35 H new ATOM 0 HG13 ILE A 38 -6.265 8.299 1.413 1.00 74.35 H new ATOM 0 HG21 ILE A 38 -3.438 7.402 1.615 1.00 23.54 H new ATOM 0 HG22 ILE A 38 -2.622 8.957 1.329 1.00 23.54 H new ATOM 0 HG23 ILE A 38 -4.053 8.884 2.385 1.00 23.54 H new ATOM 0 HD11 ILE A 38 -7.740 7.753 -0.460 1.00 2.41 H new ATOM 0 HD12 ILE A 38 -7.019 9.365 -0.682 1.00 2.41 H new ATOM 0 HD13 ILE A 38 -6.393 7.976 -1.602 1.00 2.41 H new ATOM 549 N GLN A 39 -4.859 11.006 2.384 1.00 23.11 N ATOM 550 CA GLN A 39 -5.524 11.523 3.574 1.00 54.41 C ATOM 551 C GLN A 39 -6.269 12.817 3.263 1.00 23.34 C ATOM 552 O GLN A 39 -7.281 13.129 3.890 1.00 51.42 O ATOM 553 CB GLN A 39 -4.507 11.762 4.690 1.00 63.31 C ATOM 554 CG GLN A 39 -5.126 12.281 5.978 1.00 40.21 C ATOM 555 CD GLN A 39 -5.680 11.169 6.848 1.00 23.40 C ATOM 556 OE1 GLN A 39 -5.288 10.009 6.718 1.00 2.15 O ATOM 557 NE2 GLN A 39 -6.597 11.519 7.743 1.00 51.43 N ATOM 0 H GLN A 39 -3.858 10.845 2.496 1.00 23.11 H new ATOM 0 HA GLN A 39 -6.248 10.779 3.906 1.00 54.41 H new ATOM 0 HB2 GLN A 39 -3.983 10.829 4.899 1.00 63.31 H new ATOM 0 HB3 GLN A 39 -3.760 12.476 4.343 1.00 63.31 H new ATOM 0 HG2 GLN A 39 -4.375 12.837 6.540 1.00 40.21 H new ATOM 0 HG3 GLN A 39 -5.926 12.981 5.736 1.00 40.21 H new ATOM 0 HE21 GLN A 39 -6.893 12.492 7.816 1.00 51.43 H new ATOM 0 HE22 GLN A 39 -7.006 10.814 8.357 1.00 51.43 H new ATOM 564 N ASP A 40 -5.760 13.567 2.292 1.00 14.22 N ATOM 565 CA ASP A 40 -6.377 14.829 1.897 1.00 51.41 C ATOM 566 C ASP A 40 -7.645 14.582 1.085 1.00 10.41 C ATOM 567 O ASP A 40 -8.552 15.414 1.061 1.00 21.02 O ATOM 568 CB ASP A 40 -5.392 15.670 1.084 1.00 63.54 C ATOM 569 CG ASP A 40 -6.085 16.737 0.260 1.00 44.32 C ATOM 570 OD1 ASP A 40 -6.508 17.756 0.843 1.00 14.11 O ATOM 571 OD2 ASP A 40 -6.204 16.552 -0.970 1.00 1.54 O ATOM 0 H ASP A 40 -4.922 13.324 1.764 1.00 14.22 H new ATOM 0 HA ASP A 40 -6.646 15.373 2.802 1.00 51.41 H new ATOM 0 HB2 ASP A 40 -4.679 16.143 1.759 1.00 63.54 H new ATOM 0 HB3 ASP A 40 -4.821 15.018 0.423 1.00 63.54 H new ATOM 575 N LYS A 41 -7.700 13.434 0.418 1.00 14.11 N ATOM 576 CA LYS A 41 -8.857 13.076 -0.395 1.00 10.20 C ATOM 577 C LYS A 41 -10.029 12.649 0.482 1.00 63.33 C ATOM 578 O LYS A 41 -11.122 13.207 0.387 1.00 61.12 O ATOM 579 CB LYS A 41 -8.494 11.949 -1.365 1.00 12.45 C ATOM 580 CG LYS A 41 -7.179 12.171 -2.092 1.00 74.54 C ATOM 581 CD LYS A 41 -7.250 13.369 -3.022 1.00 70.12 C ATOM 582 CE LYS A 41 -5.912 14.085 -3.112 1.00 22.23 C ATOM 583 NZ LYS A 41 -5.924 15.156 -4.148 1.00 43.52 N ATOM 0 H LYS A 41 -6.957 12.735 0.424 1.00 14.11 H new ATOM 0 HA LYS A 41 -9.156 13.956 -0.964 1.00 10.20 H new ATOM 0 HB2 LYS A 41 -8.441 11.010 -0.814 1.00 12.45 H new ATOM 0 HB3 LYS A 41 -9.292 11.842 -2.100 1.00 12.45 H new ATOM 0 HG2 LYS A 41 -6.381 12.321 -1.365 1.00 74.54 H new ATOM 0 HG3 LYS A 41 -6.924 11.279 -2.665 1.00 74.54 H new ATOM 0 HD2 LYS A 41 -7.556 13.042 -4.016 1.00 70.12 H new ATOM 0 HD3 LYS A 41 -8.012 14.063 -2.666 1.00 70.12 H new ATOM 0 HE2 LYS A 41 -5.667 14.520 -2.143 1.00 22.23 H new ATOM 0 HE3 LYS A 41 -5.129 13.363 -3.345 1.00 22.23 H new ATOM 0 HZ1 LYS A 41 -4.994 15.620 -4.178 1.00 43.52 H new ATOM 0 HZ2 LYS A 41 -6.133 14.738 -5.077 1.00 43.52 H new ATOM 0 HZ3 LYS A 41 -6.654 15.858 -3.913 1.00 43.52 H new ATOM 593 N GLU A 42 -9.793 11.658 1.335 1.00 70.55 N ATOM 594 CA GLU A 42 -10.830 11.158 2.230 1.00 34.42 C ATOM 595 C GLU A 42 -10.351 11.168 3.679 1.00 32.24 C ATOM 596 O GLU A 42 -11.127 11.425 4.599 1.00 40.15 O ATOM 597 CB GLU A 42 -11.242 9.740 1.828 1.00 72.13 C ATOM 598 CG GLU A 42 -10.144 8.709 2.026 1.00 45.40 C ATOM 599 CD GLU A 42 -10.438 7.400 1.317 1.00 71.11 C ATOM 600 OE1 GLU A 42 -11.597 7.200 0.897 1.00 53.13 O ATOM 601 OE2 GLU A 42 -9.510 6.577 1.184 1.00 45.41 O ATOM 0 H GLU A 42 -8.894 11.186 1.425 1.00 70.55 H new ATOM 0 HA GLU A 42 -11.694 11.818 2.147 1.00 34.42 H new ATOM 0 HB2 GLU A 42 -12.115 9.445 2.410 1.00 72.13 H new ATOM 0 HB3 GLU A 42 -11.543 9.741 0.780 1.00 72.13 H new ATOM 0 HG2 GLU A 42 -9.201 9.113 1.659 1.00 45.40 H new ATOM 0 HG3 GLU A 42 -10.016 8.520 3.092 1.00 45.40 H new ATOM 606 N GLY A 43 -9.066 10.886 3.874 1.00 2.11 N ATOM 607 CA GLY A 43 -8.505 10.868 5.212 1.00 11.22 C ATOM 608 C GLY A 43 -8.348 9.461 5.755 1.00 23.04 C ATOM 609 O GLY A 43 -8.456 9.239 6.962 1.00 2.44 O ATOM 0 H GLY A 43 -8.404 10.670 3.129 1.00 2.11 H new ATOM 0 HA2 GLY A 43 -7.533 11.361 5.202 1.00 11.22 H new ATOM 0 HA3 GLY A 43 -9.147 11.443 5.880 1.00 11.22 H new ATOM 613 N ILE A 44 -8.093 8.510 4.863 1.00 72.32 N ATOM 614 CA ILE A 44 -7.921 7.118 5.260 1.00 40.23 C ATOM 615 C ILE A 44 -6.618 6.922 6.027 1.00 74.03 C ATOM 616 O ILE A 44 -5.548 7.361 5.605 1.00 62.30 O ATOM 617 CB ILE A 44 -7.933 6.179 4.040 1.00 42.24 C ATOM 618 CG1 ILE A 44 -8.029 4.720 4.493 1.00 4.43 C ATOM 619 CG2 ILE A 44 -6.687 6.395 3.193 1.00 30.23 C ATOM 620 CD1 ILE A 44 -9.444 4.268 4.776 1.00 51.41 C ATOM 0 H ILE A 44 -8.001 8.678 3.861 1.00 72.32 H new ATOM 0 HA ILE A 44 -8.761 6.868 5.908 1.00 40.23 H new ATOM 0 HB ILE A 44 -8.807 6.409 3.431 1.00 42.24 H new ATOM 0 HG12 ILE A 44 -7.599 4.080 3.723 1.00 4.43 H new ATOM 0 HG13 ILE A 44 -7.427 4.587 5.392 1.00 4.43 H new ATOM 0 HG21 ILE A 44 -6.710 5.724 2.334 1.00 30.23 H new ATOM 0 HG22 ILE A 44 -6.658 7.428 2.846 1.00 30.23 H new ATOM 0 HG23 ILE A 44 -5.800 6.188 3.792 1.00 30.23 H new ATOM 0 HD11 ILE A 44 -9.436 3.225 5.092 1.00 51.41 H new ATOM 0 HD12 ILE A 44 -9.871 4.884 5.567 1.00 51.41 H new ATOM 0 HD13 ILE A 44 -10.046 4.369 3.873 1.00 51.41 H new ATOM 631 N PRO A 45 -6.706 6.243 7.181 1.00 34.11 N ATOM 632 CA PRO A 45 -5.543 5.970 8.030 1.00 30.32 C ATOM 633 C PRO A 45 -4.587 4.964 7.398 1.00 12.10 C ATOM 634 O PRO A 45 -4.943 3.814 7.135 1.00 63.20 O ATOM 635 CB PRO A 45 -6.162 5.392 9.305 1.00 11.05 C ATOM 636 CG PRO A 45 -7.462 4.813 8.865 1.00 74.22 C ATOM 637 CD PRO A 45 -7.949 5.689 7.745 1.00 22.44 C ATOM 0 HA PRO A 45 -4.943 6.864 8.199 1.00 30.32 H new ATOM 0 HB2 PRO A 45 -5.519 4.631 9.748 1.00 11.05 H new ATOM 0 HB3 PRO A 45 -6.308 6.165 10.060 1.00 11.05 H new ATOM 0 HG2 PRO A 45 -7.337 3.784 8.529 1.00 74.22 H new ATOM 0 HG3 PRO A 45 -8.179 4.795 9.686 1.00 74.22 H new ATOM 0 HD2 PRO A 45 -8.508 5.119 7.003 1.00 22.44 H new ATOM 0 HD3 PRO A 45 -8.611 6.475 8.108 1.00 22.44 H new ATOM 642 N PRO A 46 -3.345 5.403 7.148 1.00 63.15 N ATOM 643 CA PRO A 46 -2.313 4.555 6.545 1.00 25.30 C ATOM 644 C PRO A 46 -1.839 3.457 7.491 1.00 40.41 C ATOM 645 O PRO A 46 -1.262 2.459 7.058 1.00 12.10 O ATOM 646 CB PRO A 46 -1.174 5.536 6.253 1.00 5.13 C ATOM 647 CG PRO A 46 -1.367 6.642 7.231 1.00 21.15 C ATOM 648 CD PRO A 46 -2.852 6.760 7.435 1.00 2.04 C ATOM 0 HA PRO A 46 -2.681 4.031 5.663 1.00 25.30 H new ATOM 0 HB2 PRO A 46 -0.201 5.062 6.379 1.00 5.13 H new ATOM 0 HB3 PRO A 46 -1.220 5.902 5.227 1.00 5.13 H new ATOM 0 HG2 PRO A 46 -0.860 6.424 8.171 1.00 21.15 H new ATOM 0 HG3 PRO A 46 -0.950 7.575 6.852 1.00 21.15 H new ATOM 0 HD2 PRO A 46 -3.095 7.069 8.452 1.00 2.04 H new ATOM 0 HD3 PRO A 46 -3.292 7.498 6.764 1.00 2.04 H new ATOM 653 N ASP A 47 -2.087 3.646 8.781 1.00 60.41 N ATOM 654 CA ASP A 47 -1.688 2.671 9.789 1.00 44.24 C ATOM 655 C ASP A 47 -2.432 1.353 9.594 1.00 70.44 C ATOM 656 O ASP A 47 -1.870 0.276 9.793 1.00 23.40 O ATOM 657 CB ASP A 47 -1.951 3.217 11.192 1.00 24.53 C ATOM 658 CG ASP A 47 -3.428 3.261 11.529 1.00 23.35 C ATOM 659 OD1 ASP A 47 -3.990 2.201 11.875 1.00 71.22 O ATOM 660 OD2 ASP A 47 -4.023 4.357 11.446 1.00 44.03 O ATOM 0 H ASP A 47 -2.563 4.467 9.155 1.00 60.41 H new ATOM 0 HA ASP A 47 -0.620 2.485 9.676 1.00 44.24 H new ATOM 0 HB2 ASP A 47 -1.433 2.596 11.923 1.00 24.53 H new ATOM 0 HB3 ASP A 47 -1.533 4.220 11.272 1.00 24.53 H new ATOM 664 N GLN A 48 -3.700 1.447 9.206 1.00 4.24 N ATOM 665 CA GLN A 48 -4.521 0.264 8.987 1.00 50.44 C ATOM 666 C GLN A 48 -4.769 0.039 7.499 1.00 24.25 C ATOM 667 O GLN A 48 -5.020 -1.084 7.064 1.00 34.04 O ATOM 668 CB GLN A 48 -5.855 0.399 9.723 1.00 41.44 C ATOM 669 CG GLN A 48 -6.474 -0.935 10.110 1.00 31.14 C ATOM 670 CD GLN A 48 -5.976 -1.443 11.449 1.00 4.43 C ATOM 671 OE1 GLN A 48 -6.192 -0.813 12.484 1.00 63.25 O ATOM 672 NE2 GLN A 48 -5.305 -2.589 11.434 1.00 21.12 N ATOM 0 H GLN A 48 -4.180 2.331 9.037 1.00 4.24 H new ATOM 0 HA GLN A 48 -3.982 -0.598 9.381 1.00 50.44 H new ATOM 0 HB2 GLN A 48 -5.705 0.995 10.623 1.00 41.44 H new ATOM 0 HB3 GLN A 48 -6.555 0.946 9.091 1.00 41.44 H new ATOM 0 HG2 GLN A 48 -7.558 -0.831 10.146 1.00 31.14 H new ATOM 0 HG3 GLN A 48 -6.249 -1.673 9.340 1.00 31.14 H new ATOM 0 HE21 GLN A 48 -5.149 -3.077 10.552 1.00 21.12 H new ATOM 0 HE22 GLN A 48 -4.945 -2.981 12.304 1.00 21.12 H new ATOM 679 N GLN A 49 -4.695 1.117 6.723 1.00 74.45 N ATOM 680 CA GLN A 49 -4.913 1.038 5.283 1.00 62.23 C ATOM 681 C GLN A 49 -4.167 -0.150 4.685 1.00 1.33 C ATOM 682 O GLN A 49 -3.003 -0.388 5.005 1.00 43.41 O ATOM 683 CB GLN A 49 -4.461 2.333 4.607 1.00 12.15 C ATOM 684 CG GLN A 49 -4.607 2.311 3.093 1.00 32.34 C ATOM 685 CD GLN A 49 -3.830 3.422 2.416 1.00 32.14 C ATOM 686 OE1 GLN A 49 -4.411 4.314 1.797 1.00 40.40 O ATOM 687 NE2 GLN A 49 -2.508 3.376 2.531 1.00 64.02 N ATOM 0 H GLN A 49 -4.486 2.054 7.067 1.00 74.45 H new ATOM 0 HA GLN A 49 -5.980 0.899 5.108 1.00 62.23 H new ATOM 0 HB2 GLN A 49 -5.041 3.164 5.008 1.00 12.15 H new ATOM 0 HB3 GLN A 49 -3.418 2.521 4.861 1.00 12.15 H new ATOM 0 HG2 GLN A 49 -4.264 1.349 2.713 1.00 32.34 H new ATOM 0 HG3 GLN A 49 -5.662 2.399 2.832 1.00 32.34 H new ATOM 0 HE21 GLN A 49 -2.068 2.619 3.053 1.00 64.02 H new ATOM 0 HE22 GLN A 49 -1.933 4.098 2.097 1.00 64.02 H new ATOM 694 N ARG A 50 -4.845 -0.891 3.816 1.00 15.44 N ATOM 695 CA ARG A 50 -4.247 -2.055 3.173 1.00 20.30 C ATOM 696 C ARG A 50 -3.770 -1.714 1.765 1.00 14.45 C ATOM 697 O ARG A 50 -4.342 -0.851 1.096 1.00 25.33 O ATOM 698 CB ARG A 50 -5.252 -3.207 3.118 1.00 20.45 C ATOM 699 CG ARG A 50 -6.129 -3.309 4.355 1.00 74.41 C ATOM 700 CD ARG A 50 -7.160 -4.419 4.218 1.00 41.51 C ATOM 701 NE ARG A 50 -6.575 -5.740 4.437 1.00 33.33 N ATOM 702 CZ ARG A 50 -6.063 -6.487 3.466 1.00 54.40 C ATOM 703 NH1 ARG A 50 -6.064 -6.047 2.216 1.00 0.43 N ATOM 704 NH2 ARG A 50 -5.549 -7.678 3.744 1.00 51.13 N ATOM 0 H ARG A 50 -5.810 -0.706 3.540 1.00 15.44 H new ATOM 0 HA ARG A 50 -3.385 -2.362 3.765 1.00 20.30 H new ATOM 0 HB2 ARG A 50 -5.888 -3.082 2.241 1.00 20.45 H new ATOM 0 HB3 ARG A 50 -4.711 -4.144 2.988 1.00 20.45 H new ATOM 0 HG2 ARG A 50 -5.506 -3.496 5.230 1.00 74.41 H new ATOM 0 HG3 ARG A 50 -6.636 -2.359 4.522 1.00 74.41 H new ATOM 0 HD2 ARG A 50 -7.965 -4.256 4.934 1.00 41.51 H new ATOM 0 HD3 ARG A 50 -7.605 -4.380 3.224 1.00 41.51 H new ATOM 0 HE ARG A 50 -6.559 -6.108 5.388 1.00 33.33 H new ATOM 0 HH11 ARG A 50 -6.459 -5.132 1.998 1.00 0.43 H new ATOM 0 HH12 ARG A 50 -5.670 -6.623 1.472 1.00 0.43 H new ATOM 0 HH21 ARG A 50 -5.547 -8.021 4.705 1.00 51.13 H new ATOM 0 HH22 ARG A 50 -5.156 -8.251 2.997 1.00 51.13 H new ATOM 715 N LEU A 51 -2.722 -2.397 1.319 1.00 0.14 N ATOM 716 CA LEU A 51 -2.169 -2.166 -0.012 1.00 65.52 C ATOM 717 C LEU A 51 -2.541 -3.299 -0.961 1.00 15.50 C ATOM 718 O LEU A 51 -2.351 -4.475 -0.645 1.00 32.22 O ATOM 719 CB LEU A 51 -0.646 -2.030 0.065 1.00 31.41 C ATOM 720 CG LEU A 51 0.028 -1.357 -1.131 1.00 33.22 C ATOM 721 CD1 LEU A 51 -0.017 -2.266 -2.350 1.00 22.24 C ATOM 722 CD2 LEU A 51 -0.633 -0.021 -1.434 1.00 13.42 C ATOM 0 H LEU A 51 -2.238 -3.115 1.858 1.00 0.14 H new ATOM 0 HA LEU A 51 -2.593 -1.239 -0.399 1.00 65.52 H new ATOM 0 HB2 LEU A 51 -0.397 -1.465 0.963 1.00 31.41 H new ATOM 0 HB3 LEU A 51 -0.218 -3.025 0.186 1.00 31.41 H new ATOM 0 HG LEU A 51 1.072 -1.173 -0.879 1.00 33.22 H new ATOM 0 HD11 LEU A 51 0.467 -1.770 -3.191 1.00 22.24 H new ATOM 0 HD12 LEU A 51 0.504 -3.198 -2.129 1.00 22.24 H new ATOM 0 HD13 LEU A 51 -1.055 -2.482 -2.605 1.00 22.24 H new ATOM 0 HD21 LEU A 51 -0.140 0.443 -2.288 1.00 13.42 H new ATOM 0 HD22 LEU A 51 -1.686 -0.180 -1.665 1.00 13.42 H new ATOM 0 HD23 LEU A 51 -0.547 0.633 -0.566 1.00 13.42 H new ATOM 733 N ILE A 52 -3.071 -2.940 -2.125 1.00 65.02 N ATOM 734 CA ILE A 52 -3.468 -3.927 -3.122 1.00 62.25 C ATOM 735 C ILE A 52 -2.954 -3.547 -4.506 1.00 25.12 C ATOM 736 O ILE A 52 -3.324 -2.509 -5.054 1.00 4.31 O ATOM 737 CB ILE A 52 -4.998 -4.085 -3.180 1.00 63.33 C ATOM 738 CG1 ILE A 52 -5.512 -4.754 -1.903 1.00 1.21 C ATOM 739 CG2 ILE A 52 -5.401 -4.890 -4.406 1.00 22.13 C ATOM 740 CD1 ILE A 52 -5.594 -3.816 -0.720 1.00 25.24 C ATOM 0 H ILE A 52 -3.236 -1.972 -2.401 1.00 65.02 H new ATOM 0 HA ILE A 52 -3.025 -4.876 -2.820 1.00 62.25 H new ATOM 0 HB ILE A 52 -5.449 -3.095 -3.256 1.00 63.33 H new ATOM 0 HG12 ILE A 52 -6.500 -5.172 -2.094 1.00 1.21 H new ATOM 0 HG13 ILE A 52 -4.857 -5.588 -1.650 1.00 1.21 H new ATOM 0 HG21 ILE A 52 -6.486 -4.993 -4.433 1.00 22.13 H new ATOM 0 HG22 ILE A 52 -5.063 -4.376 -5.306 1.00 22.13 H new ATOM 0 HG23 ILE A 52 -4.944 -5.878 -4.359 1.00 22.13 H new ATOM 0 HD11 ILE A 52 -5.966 -4.358 0.149 1.00 25.24 H new ATOM 0 HD12 ILE A 52 -4.603 -3.417 -0.502 1.00 25.24 H new ATOM 0 HD13 ILE A 52 -6.272 -2.995 -0.953 1.00 25.24 H new ATOM 751 N PHE A 53 -2.100 -4.397 -5.068 1.00 22.44 N ATOM 752 CA PHE A 53 -1.535 -4.150 -6.390 1.00 40.24 C ATOM 753 C PHE A 53 -1.780 -5.339 -7.315 1.00 44.34 C ATOM 754 O PHE A 53 -1.443 -6.476 -6.984 1.00 21.20 O ATOM 755 CB PHE A 53 -0.034 -3.872 -6.283 1.00 1.32 C ATOM 756 CG PHE A 53 0.679 -3.915 -7.604 1.00 40.44 C ATOM 757 CD1 PHE A 53 0.122 -3.324 -8.727 1.00 62.22 C ATOM 758 CD2 PHE A 53 1.906 -4.548 -7.724 1.00 71.14 C ATOM 759 CE1 PHE A 53 0.776 -3.363 -9.944 1.00 40.53 C ATOM 760 CE2 PHE A 53 2.565 -4.590 -8.938 1.00 54.50 C ATOM 761 CZ PHE A 53 1.999 -3.997 -10.049 1.00 2.11 C ATOM 0 H PHE A 53 -1.784 -5.262 -4.629 1.00 22.44 H new ATOM 0 HA PHE A 53 -2.029 -3.275 -6.812 1.00 40.24 H new ATOM 0 HB2 PHE A 53 0.114 -2.891 -5.831 1.00 1.32 H new ATOM 0 HB3 PHE A 53 0.416 -4.604 -5.612 1.00 1.32 H new ATOM 0 HD1 PHE A 53 -0.834 -2.827 -8.650 1.00 62.22 H new ATOM 0 HD2 PHE A 53 2.353 -5.014 -6.858 1.00 71.14 H new ATOM 0 HE1 PHE A 53 0.332 -2.898 -10.812 1.00 40.53 H new ATOM 0 HE2 PHE A 53 3.521 -5.086 -9.018 1.00 54.50 H new ATOM 0 HZ PHE A 53 2.512 -4.029 -10.999 1.00 2.11 H new ATOM 770 N ALA A 54 -2.367 -5.067 -8.475 1.00 42.33 N ATOM 771 CA ALA A 54 -2.655 -6.113 -9.450 1.00 64.31 C ATOM 772 C ALA A 54 -3.494 -7.224 -8.829 1.00 12.52 C ATOM 773 O ALA A 54 -3.391 -8.386 -9.221 1.00 63.51 O ATOM 774 CB ALA A 54 -1.360 -6.679 -10.014 1.00 70.14 C ATOM 0 H ALA A 54 -2.653 -4.131 -8.763 1.00 42.33 H new ATOM 0 HA ALA A 54 -3.230 -5.670 -10.264 1.00 64.31 H new ATOM 0 HB1 ALA A 54 -1.590 -7.459 -10.740 1.00 70.14 H new ATOM 0 HB2 ALA A 54 -0.797 -5.883 -10.502 1.00 70.14 H new ATOM 0 HB3 ALA A 54 -0.764 -7.101 -9.205 1.00 70.14 H new ATOM 780 N GLY A 55 -4.327 -6.860 -7.859 1.00 32.12 N ATOM 781 CA GLY A 55 -5.172 -7.838 -7.200 1.00 72.33 C ATOM 782 C GLY A 55 -4.472 -8.524 -6.044 1.00 4.32 C ATOM 783 O GLY A 55 -5.109 -9.198 -5.234 1.00 63.44 O ATOM 0 H GLY A 55 -4.432 -5.904 -7.518 1.00 32.12 H new ATOM 0 HA2 GLY A 55 -6.074 -7.347 -6.835 1.00 72.33 H new ATOM 0 HA3 GLY A 55 -5.489 -8.588 -7.925 1.00 72.33 H new ATOM 787 N LYS A 56 -3.155 -8.355 -5.967 1.00 14.12 N ATOM 788 CA LYS A 56 -2.366 -8.964 -4.903 1.00 74.42 C ATOM 789 C LYS A 56 -2.083 -7.956 -3.792 1.00 14.42 C ATOM 790 O LYS A 56 -1.537 -6.882 -4.042 1.00 34.13 O ATOM 791 CB LYS A 56 -1.050 -9.506 -5.463 1.00 63.33 C ATOM 792 CG LYS A 56 -0.471 -10.652 -4.652 1.00 42.22 C ATOM 793 CD LYS A 56 0.622 -11.381 -5.417 1.00 22.01 C ATOM 794 CE LYS A 56 1.814 -10.475 -5.684 1.00 21.42 C ATOM 795 NZ LYS A 56 2.336 -9.862 -4.430 1.00 5.10 N ATOM 0 H LYS A 56 -2.612 -7.801 -6.630 1.00 14.12 H new ATOM 0 HA LYS A 56 -2.941 -9.789 -4.483 1.00 74.42 H new ATOM 0 HB2 LYS A 56 -1.212 -9.842 -6.487 1.00 63.33 H new ATOM 0 HB3 LYS A 56 -0.321 -8.696 -5.504 1.00 63.33 H new ATOM 0 HG2 LYS A 56 -0.067 -10.268 -3.715 1.00 42.22 H new ATOM 0 HG3 LYS A 56 -1.265 -11.353 -4.393 1.00 42.22 H new ATOM 0 HD2 LYS A 56 0.946 -12.253 -4.848 1.00 22.01 H new ATOM 0 HD3 LYS A 56 0.223 -11.748 -6.363 1.00 22.01 H new ATOM 0 HE2 LYS A 56 2.606 -11.049 -6.165 1.00 21.42 H new ATOM 0 HE3 LYS A 56 1.523 -9.688 -6.380 1.00 21.42 H new ATOM 0 HZ1 LYS A 56 3.295 -9.495 -4.596 1.00 5.10 H new ATOM 0 HZ2 LYS A 56 1.712 -9.082 -4.139 1.00 5.10 H new ATOM 0 HZ3 LYS A 56 2.366 -10.580 -3.679 1.00 5.10 H new ATOM 805 N GLN A 57 -2.455 -8.313 -2.567 1.00 10.44 N ATOM 806 CA GLN A 57 -2.240 -7.440 -1.420 1.00 25.21 C ATOM 807 C GLN A 57 -0.793 -7.516 -0.942 1.00 72.21 C ATOM 808 O GLN A 57 -0.100 -8.506 -1.182 1.00 75.35 O ATOM 809 CB GLN A 57 -3.187 -7.818 -0.280 1.00 64.11 C ATOM 810 CG GLN A 57 -2.696 -8.988 0.557 1.00 43.13 C ATOM 811 CD GLN A 57 -2.480 -10.243 -0.266 1.00 41.15 C ATOM 812 OE1 GLN A 57 -1.387 -10.809 -0.281 1.00 43.44 O ATOM 813 NE2 GLN A 57 -3.525 -10.686 -0.956 1.00 70.34 N ATOM 0 H GLN A 57 -2.906 -9.200 -2.344 1.00 10.44 H new ATOM 0 HA GLN A 57 -2.448 -6.416 -1.730 1.00 25.21 H new ATOM 0 HB2 GLN A 57 -3.326 -6.952 0.367 1.00 64.11 H new ATOM 0 HB3 GLN A 57 -4.163 -8.065 -0.697 1.00 64.11 H new ATOM 0 HG2 GLN A 57 -1.761 -8.713 1.046 1.00 43.13 H new ATOM 0 HG3 GLN A 57 -3.420 -9.195 1.345 1.00 43.13 H new ATOM 0 HE21 GLN A 57 -4.413 -10.185 -0.915 1.00 70.34 H new ATOM 0 HE22 GLN A 57 -3.440 -11.527 -1.527 1.00 70.34 H new ATOM 820 N LEU A 58 -0.343 -6.466 -0.265 1.00 41.22 N ATOM 821 CA LEU A 58 1.022 -6.413 0.247 1.00 41.42 C ATOM 822 C LEU A 58 1.052 -5.840 1.659 1.00 64.40 C ATOM 823 O LEU A 58 0.009 -5.582 2.257 1.00 55.03 O ATOM 824 CB LEU A 58 1.903 -5.571 -0.677 1.00 3.23 C ATOM 825 CG LEU A 58 2.053 -6.081 -2.112 1.00 75.02 C ATOM 826 CD1 LEU A 58 0.957 -5.510 -2.998 1.00 44.43 C ATOM 827 CD2 LEU A 58 3.427 -5.728 -2.663 1.00 21.44 C ATOM 0 H LEU A 58 -0.903 -5.639 -0.058 1.00 41.22 H new ATOM 0 HA LEU A 58 1.411 -7.431 0.280 1.00 41.42 H new ATOM 0 HB2 LEU A 58 1.496 -4.561 -0.713 1.00 3.23 H new ATOM 0 HB3 LEU A 58 2.896 -5.499 -0.233 1.00 3.23 H new ATOM 0 HG LEU A 58 1.956 -7.167 -2.104 1.00 75.02 H new ATOM 0 HD11 LEU A 58 1.080 -5.883 -4.015 1.00 44.43 H new ATOM 0 HD12 LEU A 58 -0.017 -5.815 -2.614 1.00 44.43 H new ATOM 0 HD13 LEU A 58 1.021 -4.422 -3.001 1.00 44.43 H new ATOM 0 HD21 LEU A 58 3.516 -6.099 -3.684 1.00 21.44 H new ATOM 0 HD22 LEU A 58 3.554 -4.645 -2.657 1.00 21.44 H new ATOM 0 HD23 LEU A 58 4.197 -6.187 -2.042 1.00 21.44 H new ATOM 890 N THR A 63 9.809 2.149 -1.952 1.00 25.03 N ATOM 891 CA THR A 63 9.604 2.974 -3.135 1.00 34.43 C ATOM 892 C THR A 63 9.476 2.116 -4.389 1.00 72.10 C ATOM 893 O THR A 63 9.702 0.906 -4.351 1.00 14.03 O ATOM 894 CB THR A 63 10.756 3.978 -3.329 1.00 41.02 C ATOM 895 OG1 THR A 63 11.906 3.307 -3.856 1.00 1.52 O ATOM 896 CG2 THR A 63 11.115 4.650 -2.013 1.00 74.51 C ATOM 0 HA THR A 63 8.676 3.524 -2.978 1.00 34.43 H new ATOM 0 HB THR A 63 10.427 4.743 -4.032 1.00 41.02 H new ATOM 0 HG1 THR A 63 12.345 3.881 -4.518 1.00 1.52 H new ATOM 0 HG21 THR A 63 11.931 5.355 -2.175 1.00 74.51 H new ATOM 0 HG22 THR A 63 10.246 5.183 -1.628 1.00 74.51 H new ATOM 0 HG23 THR A 63 11.426 3.894 -1.292 1.00 74.51 H new ATOM 904 N LEU A 64 9.113 2.749 -5.498 1.00 13.43 N ATOM 905 CA LEU A 64 8.955 2.043 -6.765 1.00 44.52 C ATOM 906 C LEU A 64 10.312 1.648 -7.340 1.00 10.41 C ATOM 907 O LEU A 64 10.478 0.546 -7.866 1.00 32.53 O ATOM 908 CB LEU A 64 8.199 2.916 -7.768 1.00 43.04 C ATOM 909 CG LEU A 64 6.746 3.236 -7.417 1.00 2.02 C ATOM 910 CD1 LEU A 64 6.429 4.691 -7.729 1.00 40.53 C ATOM 911 CD2 LEU A 64 5.799 2.310 -8.166 1.00 70.22 C ATOM 0 H LEU A 64 8.922 3.750 -5.546 1.00 13.43 H new ATOM 0 HA LEU A 64 8.381 1.136 -6.578 1.00 44.52 H new ATOM 0 HB2 LEU A 64 8.740 3.856 -7.882 1.00 43.04 H new ATOM 0 HB3 LEU A 64 8.217 2.419 -8.738 1.00 43.04 H new ATOM 0 HG LEU A 64 6.608 3.076 -6.348 1.00 2.02 H new ATOM 0 HD11 LEU A 64 5.390 4.900 -7.473 1.00 40.53 H new ATOM 0 HD12 LEU A 64 7.084 5.339 -7.147 1.00 40.53 H new ATOM 0 HD13 LEU A 64 6.585 4.878 -8.791 1.00 40.53 H new ATOM 0 HD21 LEU A 64 4.769 2.553 -7.903 1.00 70.22 H new ATOM 0 HD22 LEU A 64 5.939 2.437 -9.239 1.00 70.22 H new ATOM 0 HD23 LEU A 64 6.009 1.276 -7.892 1.00 70.22 H new ATOM 922 N SER A 65 11.281 2.552 -7.234 1.00 34.11 N ATOM 923 CA SER A 65 12.622 2.298 -7.745 1.00 42.25 C ATOM 924 C SER A 65 13.362 1.302 -6.856 1.00 60.31 C ATOM 925 O SER A 65 14.167 0.506 -7.336 1.00 43.32 O ATOM 926 CB SER A 65 13.413 3.605 -7.833 1.00 30.13 C ATOM 927 OG SER A 65 14.520 3.473 -8.708 1.00 30.41 O ATOM 0 H SER A 65 11.162 3.467 -6.799 1.00 34.11 H new ATOM 0 HA SER A 65 12.529 1.870 -8.743 1.00 42.25 H new ATOM 0 HB2 SER A 65 12.761 4.405 -8.184 1.00 30.13 H new ATOM 0 HB3 SER A 65 13.762 3.890 -6.840 1.00 30.13 H new ATOM 0 HG SER A 65 15.008 4.322 -8.748 1.00 30.41 H new ATOM 932 N GLU A 66 13.082 1.356 -5.558 1.00 43.33 N ATOM 933 CA GLU A 66 13.722 0.460 -4.602 1.00 51.33 C ATOM 934 C GLU A 66 13.142 -0.948 -4.704 1.00 43.04 C ATOM 935 O GLU A 66 13.872 -1.938 -4.644 1.00 0.12 O ATOM 936 CB GLU A 66 13.551 0.991 -3.177 1.00 33.42 C ATOM 937 CG GLU A 66 14.414 2.205 -2.872 1.00 14.53 C ATOM 938 CD GLU A 66 14.196 2.739 -1.470 1.00 15.34 C ATOM 939 OE1 GLU A 66 13.298 2.223 -0.772 1.00 31.45 O ATOM 940 OE2 GLU A 66 14.922 3.672 -1.072 1.00 64.24 O ATOM 0 H GLU A 66 12.417 2.010 -5.145 1.00 43.33 H new ATOM 0 HA GLU A 66 14.785 0.416 -4.840 1.00 51.33 H new ATOM 0 HB2 GLU A 66 12.504 1.251 -3.018 1.00 33.42 H new ATOM 0 HB3 GLU A 66 13.793 0.197 -2.471 1.00 33.42 H new ATOM 0 HG2 GLU A 66 15.464 1.940 -2.997 1.00 14.53 H new ATOM 0 HG3 GLU A 66 14.196 2.992 -3.594 1.00 14.53 H new ATOM 945 N TYR A 67 11.825 -1.030 -4.857 1.00 1.14 N ATOM 946 CA TYR A 67 11.146 -2.315 -4.965 1.00 40.31 C ATOM 947 C TYR A 67 11.046 -2.758 -6.422 1.00 54.35 C ATOM 948 O TYR A 67 10.592 -3.864 -6.716 1.00 60.31 O ATOM 949 CB TYR A 67 9.749 -2.230 -4.349 1.00 32.20 C ATOM 950 CG TYR A 67 9.422 -3.384 -3.427 1.00 1.31 C ATOM 951 CD1 TYR A 67 9.817 -4.679 -3.737 1.00 42.43 C ATOM 952 CD2 TYR A 67 8.716 -3.179 -2.248 1.00 42.43 C ATOM 953 CE1 TYR A 67 9.521 -5.737 -2.899 1.00 1.04 C ATOM 954 CE2 TYR A 67 8.417 -4.231 -1.404 1.00 22.35 C ATOM 955 CZ TYR A 67 8.821 -5.507 -1.734 1.00 60.11 C ATOM 956 OH TYR A 67 8.523 -6.557 -0.896 1.00 34.24 O ATOM 0 H TYR A 67 11.206 -0.221 -4.909 1.00 1.14 H new ATOM 0 HA TYR A 67 11.732 -3.054 -4.419 1.00 40.31 H new ATOM 0 HB2 TYR A 67 9.662 -1.296 -3.793 1.00 32.20 H new ATOM 0 HB3 TYR A 67 9.010 -2.195 -5.149 1.00 32.20 H new ATOM 0 HD1 TYR A 67 10.365 -4.862 -4.649 1.00 42.43 H new ATOM 0 HD2 TYR A 67 8.396 -2.181 -1.987 1.00 42.43 H new ATOM 0 HE1 TYR A 67 9.836 -6.738 -3.155 1.00 1.04 H new ATOM 0 HE2 TYR A 67 7.869 -4.055 -0.490 1.00 22.35 H new ATOM 0 HH TYR A 67 8.027 -6.225 -0.119 1.00 34.24 H new ATOM 965 N ASN A 68 11.474 -1.887 -7.329 1.00 13.12 N ATOM 966 CA ASN A 68 11.433 -2.187 -8.756 1.00 53.05 C ATOM 967 C ASN A 68 10.055 -2.696 -9.165 1.00 14.31 C ATOM 968 O ASN A 68 9.929 -3.507 -10.084 1.00 14.32 O ATOM 969 CB ASN A 68 12.499 -3.226 -9.109 1.00 5.44 C ATOM 970 CG ASN A 68 12.961 -3.113 -10.550 1.00 62.10 C ATOM 971 OD1 ASN A 68 13.218 -2.016 -11.046 1.00 1.03 O ATOM 972 ND2 ASN A 68 13.070 -4.249 -11.227 1.00 15.44 N ATOM 0 H ASN A 68 11.853 -0.968 -7.102 1.00 13.12 H new ATOM 0 HA ASN A 68 11.637 -1.266 -9.303 1.00 53.05 H new ATOM 0 HB2 ASN A 68 13.355 -3.105 -8.445 1.00 5.44 H new ATOM 0 HB3 ASN A 68 12.100 -4.225 -8.935 1.00 5.44 H new ATOM 0 HD21 ASN A 68 13.378 -4.236 -12.199 1.00 15.44 H new ATOM 0 HD22 ASN A 68 12.846 -5.136 -10.775 1.00 15.44 H new ATOM 978 N ILE A 69 9.023 -2.215 -8.479 1.00 64.35 N ATOM 979 CA ILE A 69 7.655 -2.620 -8.772 1.00 0.12 C ATOM 980 C ILE A 69 7.002 -1.668 -9.769 1.00 42.21 C ATOM 981 O ILE A 69 7.452 -0.538 -9.948 1.00 24.14 O ATOM 982 CB ILE A 69 6.797 -2.674 -7.494 1.00 41.41 C ATOM 983 CG1 ILE A 69 6.860 -1.336 -6.755 1.00 73.21 C ATOM 984 CG2 ILE A 69 7.263 -3.806 -6.591 1.00 63.35 C ATOM 985 CD1 ILE A 69 5.910 -1.249 -5.581 1.00 15.03 C ATOM 0 H ILE A 69 9.110 -1.544 -7.716 1.00 64.35 H new ATOM 0 HA ILE A 69 7.708 -3.618 -9.206 1.00 0.12 H new ATOM 0 HB ILE A 69 5.761 -2.863 -7.777 1.00 41.41 H new ATOM 0 HG12 ILE A 69 7.878 -1.173 -6.401 1.00 73.21 H new ATOM 0 HG13 ILE A 69 6.634 -0.532 -7.456 1.00 73.21 H new ATOM 0 HG21 ILE A 69 6.647 -3.831 -5.692 1.00 63.35 H new ATOM 0 HG22 ILE A 69 7.172 -4.755 -7.120 1.00 63.35 H new ATOM 0 HG23 ILE A 69 8.304 -3.644 -6.313 1.00 63.35 H new ATOM 0 HD11 ILE A 69 6.009 -0.274 -5.105 1.00 15.03 H new ATOM 0 HD12 ILE A 69 4.886 -1.380 -5.931 1.00 15.03 H new ATOM 0 HD13 ILE A 69 6.150 -2.031 -4.860 1.00 15.03 H new ATOM 996 N GLN A 70 5.937 -2.135 -10.413 1.00 10.20 N ATOM 997 CA GLN A 70 5.221 -1.323 -11.392 1.00 54.45 C ATOM 998 C GLN A 70 3.973 -0.702 -10.774 1.00 54.31 C ATOM 999 O GLN A 70 2.967 -0.496 -11.454 1.00 63.14 O ATOM 1000 CB GLN A 70 4.836 -2.173 -12.604 1.00 4.43 C ATOM 1001 CG GLN A 70 5.993 -2.438 -13.554 1.00 2.03 C ATOM 1002 CD GLN A 70 6.553 -1.167 -14.161 1.00 4.03 C ATOM 1003 OE1 GLN A 70 7.703 -0.802 -13.918 1.00 70.21 O ATOM 1004 NE2 GLN A 70 5.739 -0.484 -14.959 1.00 44.32 N ATOM 0 H GLN A 70 5.551 -3.069 -10.275 1.00 10.20 H new ATOM 0 HA GLN A 70 5.882 -0.519 -11.716 1.00 54.45 H new ATOM 0 HB2 GLN A 70 4.436 -3.126 -12.257 1.00 4.43 H new ATOM 0 HB3 GLN A 70 4.036 -1.672 -13.150 1.00 4.43 H new ATOM 0 HG2 GLN A 70 6.786 -2.960 -13.018 1.00 2.03 H new ATOM 0 HG3 GLN A 70 5.658 -3.100 -14.352 1.00 2.03 H new ATOM 0 HE21 GLN A 70 4.793 -0.823 -15.133 1.00 44.32 H new ATOM 0 HE22 GLN A 70 6.060 0.379 -15.397 1.00 44.32 H new ATOM 1011 N LYS A 71 4.045 -0.405 -9.481 1.00 34.32 N ATOM 1012 CA LYS A 71 2.921 0.195 -8.770 1.00 11.40 C ATOM 1013 C LYS A 71 2.568 1.557 -9.361 1.00 42.03 C ATOM 1014 O LYS A 71 1.477 2.078 -9.131 1.00 51.53 O ATOM 1015 CB LYS A 71 3.251 0.342 -7.284 1.00 75.04 C ATOM 1016 CG LYS A 71 2.580 1.536 -6.627 1.00 65.31 C ATOM 1017 CD LYS A 71 2.696 1.477 -5.113 1.00 33.40 C ATOM 1018 CE LYS A 71 3.182 2.799 -4.539 1.00 23.44 C ATOM 1019 NZ LYS A 71 2.063 3.761 -4.339 1.00 62.12 N ATOM 0 H LYS A 71 4.870 -0.570 -8.904 1.00 34.32 H new ATOM 0 HA LYS A 71 2.060 -0.464 -8.881 1.00 11.40 H new ATOM 0 HB2 LYS A 71 2.950 -0.566 -6.762 1.00 75.04 H new ATOM 0 HB3 LYS A 71 4.331 0.433 -7.168 1.00 75.04 H new ATOM 0 HG2 LYS A 71 3.035 2.457 -6.992 1.00 65.31 H new ATOM 0 HG3 LYS A 71 1.528 1.566 -6.911 1.00 65.31 H new ATOM 0 HD2 LYS A 71 1.726 1.227 -4.682 1.00 33.40 H new ATOM 0 HD3 LYS A 71 3.385 0.681 -4.831 1.00 33.40 H new ATOM 0 HE2 LYS A 71 3.682 2.620 -3.587 1.00 23.44 H new ATOM 0 HE3 LYS A 71 3.922 3.236 -5.210 1.00 23.44 H new ATOM 0 HZ1 LYS A 71 2.435 4.649 -3.947 1.00 62.12 H new ATOM 0 HZ2 LYS A 71 1.602 3.952 -5.251 1.00 62.12 H new ATOM 0 HZ3 LYS A 71 1.370 3.355 -3.679 1.00 62.12 H new ATOM 1029 N GLU A 72 3.498 2.125 -10.122 1.00 34.54 N ATOM 1030 CA GLU A 72 3.283 3.426 -10.745 1.00 34.24 C ATOM 1031 C GLU A 72 2.331 3.310 -11.931 1.00 14.12 C ATOM 1032 O GLU A 72 2.699 3.603 -13.069 1.00 63.41 O ATOM 1033 CB GLU A 72 4.614 4.024 -11.203 1.00 44.23 C ATOM 1034 CG GLU A 72 5.418 3.100 -12.104 1.00 24.34 C ATOM 1035 CD GLU A 72 6.361 3.856 -13.020 1.00 43.24 C ATOM 1036 OE1 GLU A 72 5.903 4.798 -13.698 1.00 12.34 O ATOM 1037 OE2 GLU A 72 7.560 3.503 -13.058 1.00 33.45 O ATOM 0 H GLU A 72 4.406 1.706 -10.322 1.00 34.54 H new ATOM 0 HA GLU A 72 2.833 4.085 -10.003 1.00 34.24 H new ATOM 0 HB2 GLU A 72 4.421 4.957 -11.733 1.00 44.23 H new ATOM 0 HB3 GLU A 72 5.212 4.273 -10.326 1.00 44.23 H new ATOM 0 HG2 GLU A 72 5.992 2.407 -11.489 1.00 24.34 H new ATOM 0 HG3 GLU A 72 4.735 2.501 -12.706 1.00 24.34 H new ATOM 1042 N SER A 73 1.103 2.880 -11.658 1.00 33.34 N ATOM 1043 CA SER A 73 0.098 2.722 -12.703 1.00 75.20 C ATOM 1044 C SER A 73 -1.307 2.703 -12.107 1.00 31.44 C ATOM 1045 O SER A 73 -2.030 3.699 -12.158 1.00 62.12 O ATOM 1046 CB SER A 73 0.348 1.433 -13.488 1.00 33.22 C ATOM 1047 OG SER A 73 -0.839 0.982 -14.119 1.00 73.34 O ATOM 0 H SER A 73 0.780 2.635 -10.722 1.00 33.34 H new ATOM 0 HA SER A 73 0.175 3.573 -13.380 1.00 75.20 H new ATOM 0 HB2 SER A 73 1.120 1.604 -14.238 1.00 33.22 H new ATOM 0 HB3 SER A 73 0.722 0.661 -12.816 1.00 33.22 H new ATOM 0 HG SER A 73 -0.653 0.158 -14.615 1.00 73.34 H new ATOM 1052 N THR A 74 -1.688 1.563 -11.541 1.00 40.34 N ATOM 1053 CA THR A 74 -3.006 1.412 -10.936 1.00 42.13 C ATOM 1054 C THR A 74 -2.914 0.714 -9.584 1.00 61.03 C ATOM 1055 O THR A 74 -2.630 -0.483 -9.509 1.00 25.12 O ATOM 1056 CB THR A 74 -3.956 0.614 -11.849 1.00 3.00 C ATOM 1057 OG1 THR A 74 -3.507 0.689 -13.207 1.00 54.43 O ATOM 1058 CG2 THR A 74 -5.377 1.146 -11.750 1.00 23.42 C ATOM 0 H THR A 74 -1.102 0.730 -11.489 1.00 40.34 H new ATOM 0 HA THR A 74 -3.406 2.416 -10.797 1.00 42.13 H new ATOM 0 HB THR A 74 -3.951 -0.425 -11.521 1.00 3.00 H new ATOM 0 HG1 THR A 74 -4.115 0.178 -13.781 1.00 54.43 H new ATOM 0 HG21 THR A 74 -6.029 0.566 -12.404 1.00 23.42 H new ATOM 0 HG22 THR A 74 -5.726 1.061 -10.721 1.00 23.42 H new ATOM 0 HG23 THR A 74 -5.396 2.193 -12.054 1.00 23.42 H new ATOM 1066 N LEU A 75 -3.155 1.467 -8.517 1.00 11.20 N ATOM 1067 CA LEU A 75 -3.100 0.920 -7.166 1.00 10.13 C ATOM 1068 C LEU A 75 -4.341 1.312 -6.369 1.00 20.21 C ATOM 1069 O LEU A 75 -4.895 2.395 -6.556 1.00 10.03 O ATOM 1070 CB LEU A 75 -1.843 1.410 -6.446 1.00 44.51 C ATOM 1071 CG LEU A 75 -0.824 0.334 -6.069 1.00 60.21 C ATOM 1072 CD1 LEU A 75 -1.328 -0.490 -4.894 1.00 12.25 C ATOM 1073 CD2 LEU A 75 -0.526 -0.561 -7.262 1.00 42.44 C ATOM 0 H LEU A 75 -3.390 2.458 -8.561 1.00 11.20 H new ATOM 0 HA LEU A 75 -3.067 -0.167 -7.242 1.00 10.13 H new ATOM 0 HB2 LEU A 75 -1.348 2.145 -7.081 1.00 44.51 H new ATOM 0 HB3 LEU A 75 -2.148 1.928 -5.537 1.00 44.51 H new ATOM 0 HG LEU A 75 0.102 0.826 -5.771 1.00 60.21 H new ATOM 0 HD11 LEU A 75 -0.590 -1.251 -4.640 1.00 12.25 H new ATOM 0 HD12 LEU A 75 -1.488 0.161 -4.035 1.00 12.25 H new ATOM 0 HD13 LEU A 75 -2.268 -0.972 -5.164 1.00 12.25 H new ATOM 0 HD21 LEU A 75 0.201 -1.320 -6.974 1.00 42.44 H new ATOM 0 HD22 LEU A 75 -1.445 -1.045 -7.592 1.00 42.44 H new ATOM 0 HD23 LEU A 75 -0.120 0.040 -8.076 1.00 42.44 H new ATOM 1084 N HIS A 76 -4.770 0.424 -5.478 1.00 50.20 N ATOM 1085 CA HIS A 76 -5.943 0.678 -4.650 1.00 55.42 C ATOM 1086 C HIS A 76 -5.678 0.291 -3.198 1.00 31.04 C ATOM 1087 O HIS A 76 -5.597 -0.892 -2.864 1.00 13.02 O ATOM 1088 CB HIS A 76 -7.149 -0.096 -5.184 1.00 51.34 C ATOM 1089 CG HIS A 76 -7.099 -0.337 -6.661 1.00 12.20 C ATOM 1090 ND1 HIS A 76 -7.302 0.658 -7.593 1.00 23.24 N ATOM 1091 CD2 HIS A 76 -6.866 -1.468 -7.367 1.00 53.42 C ATOM 1092 CE1 HIS A 76 -7.198 0.151 -8.807 1.00 2.41 C ATOM 1093 NE2 HIS A 76 -6.933 -1.139 -8.699 1.00 53.20 N ATOM 0 H HIS A 76 -4.323 -0.477 -5.311 1.00 50.20 H new ATOM 0 HA HIS A 76 -6.160 1.746 -4.689 1.00 55.42 H new ATOM 0 HB2 HIS A 76 -7.212 -1.055 -4.670 1.00 51.34 H new ATOM 0 HB3 HIS A 76 -8.059 0.454 -4.944 1.00 51.34 H new ATOM 0 HD2 HIS A 76 -6.665 -2.447 -6.959 1.00 53.42 H new ATOM 0 HE1 HIS A 76 -7.310 0.698 -9.732 1.00 2.41 H new ATOM 0 HE2 HIS A 76 -6.800 -1.785 -9.477 1.00 53.20 H new ATOM 1100 N LEU A 77 -5.542 1.295 -2.339 1.00 11.21 N ATOM 1101 CA LEU A 77 -5.285 1.061 -0.922 1.00 53.03 C ATOM 1102 C LEU A 77 -6.257 1.852 -0.053 1.00 15.33 C ATOM 1103 O LEU A 77 -6.033 3.028 0.234 1.00 74.34 O ATOM 1104 CB LEU A 77 -3.846 1.444 -0.575 1.00 43.34 C ATOM 1105 CG LEU A 77 -3.264 2.634 -1.340 1.00 35.51 C ATOM 1106 CD1 LEU A 77 -2.223 3.353 -0.496 1.00 73.42 C ATOM 1107 CD2 LEU A 77 -2.660 2.177 -2.659 1.00 0.34 C ATOM 0 H LEU A 77 -5.605 2.279 -2.599 1.00 11.21 H new ATOM 0 HA LEU A 77 -5.431 -0.001 -0.723 1.00 53.03 H new ATOM 0 HB2 LEU A 77 -3.797 1.664 0.491 1.00 43.34 H new ATOM 0 HB3 LEU A 77 -3.208 0.578 -0.751 1.00 43.34 H new ATOM 0 HG LEU A 77 -4.072 3.332 -1.557 1.00 35.51 H new ATOM 0 HD11 LEU A 77 -1.820 4.197 -1.056 1.00 73.42 H new ATOM 0 HD12 LEU A 77 -2.686 3.715 0.422 1.00 73.42 H new ATOM 0 HD13 LEU A 77 -1.416 2.663 -0.248 1.00 73.42 H new ATOM 0 HD21 LEU A 77 -2.251 3.037 -3.189 1.00 0.34 H new ATOM 0 HD22 LEU A 77 -1.864 1.458 -2.465 1.00 0.34 H new ATOM 0 HD23 LEU A 77 -3.432 1.708 -3.269 1.00 0.34 H new ATOM 1118 N VAL A 78 -7.338 1.200 0.362 1.00 53.22 N ATOM 1119 CA VAL A 78 -8.343 1.841 1.201 1.00 2.44 C ATOM 1120 C VAL A 78 -9.028 0.827 2.111 1.00 12.43 C ATOM 1121 O VAL A 78 -9.534 -0.197 1.647 1.00 34.01 O ATOM 1122 CB VAL A 78 -9.411 2.555 0.350 1.00 60.41 C ATOM 1123 CG1 VAL A 78 -10.413 3.271 1.243 1.00 43.31 C ATOM 1124 CG2 VAL A 78 -8.756 3.529 -0.617 1.00 0.34 C ATOM 0 H VAL A 78 -7.540 0.227 0.131 1.00 53.22 H new ATOM 0 HA VAL A 78 -7.822 2.579 1.812 1.00 2.44 H new ATOM 0 HB VAL A 78 -9.949 1.806 -0.232 1.00 60.41 H new ATOM 0 HG11 VAL A 78 -11.160 3.770 0.625 1.00 43.31 H new ATOM 0 HG12 VAL A 78 -10.904 2.546 1.892 1.00 43.31 H new ATOM 0 HG13 VAL A 78 -9.894 4.011 1.852 1.00 43.31 H new ATOM 0 HG21 VAL A 78 -9.524 4.025 -1.210 1.00 0.34 H new ATOM 0 HG22 VAL A 78 -8.193 4.275 -0.056 1.00 0.34 H new ATOM 0 HG23 VAL A 78 -8.081 2.986 -1.278 1.00 0.34 H new ATOM 1134 N LEU A 79 -9.043 1.117 3.406 1.00 61.41 N ATOM 1135 CA LEU A 79 -9.668 0.231 4.383 1.00 45.50 C ATOM 1136 C LEU A 79 -10.902 0.882 4.997 1.00 32.24 C ATOM 1137 O LEU A 79 -10.806 1.913 5.662 1.00 21.41 O ATOM 1138 CB LEU A 79 -8.668 -0.133 5.482 1.00 52.32 C ATOM 1139 CG LEU A 79 -8.966 -1.415 6.262 1.00 34.34 C ATOM 1140 CD1 LEU A 79 -7.788 -1.787 7.148 1.00 21.55 C ATOM 1141 CD2 LEU A 79 -10.230 -1.251 7.092 1.00 33.43 C ATOM 0 H LEU A 79 -8.629 1.959 3.805 1.00 61.41 H new ATOM 0 HA LEU A 79 -9.979 -0.678 3.867 1.00 45.50 H new ATOM 0 HB2 LEU A 79 -7.680 -0.227 5.030 1.00 52.32 H new ATOM 0 HB3 LEU A 79 -8.618 0.695 6.189 1.00 52.32 H new ATOM 0 HG LEU A 79 -9.126 -2.223 5.549 1.00 34.34 H new ATOM 0 HD11 LEU A 79 -8.019 -2.701 7.695 1.00 21.55 H new ATOM 0 HD12 LEU A 79 -6.904 -1.947 6.530 1.00 21.55 H new ATOM 0 HD13 LEU A 79 -7.595 -0.980 7.855 1.00 21.55 H new ATOM 0 HD21 LEU A 79 -10.427 -2.172 7.640 1.00 33.43 H new ATOM 0 HD22 LEU A 79 -10.098 -0.430 7.797 1.00 33.43 H new ATOM 0 HD23 LEU A 79 -11.071 -1.033 6.434 1.00 33.43 H new ATOM 1152 N ARG A 80 -12.061 0.272 4.771 1.00 52.33 N ATOM 1153 CA ARG A 80 -13.315 0.791 5.304 1.00 42.41 C ATOM 1154 C ARG A 80 -13.460 2.279 5.000 1.00 4.32 C ATOM 1155 O ARG A 80 -13.376 3.118 5.897 1.00 62.00 O ATOM 1156 CB ARG A 80 -13.388 0.559 6.814 1.00 63.22 C ATOM 1157 CG ARG A 80 -14.738 0.904 7.418 1.00 60.44 C ATOM 1158 CD ARG A 80 -14.585 1.589 8.768 1.00 20.02 C ATOM 1159 NE ARG A 80 -15.829 1.573 9.533 1.00 23.41 N ATOM 1160 CZ ARG A 80 -16.831 2.419 9.324 1.00 11.14 C ATOM 1161 NH1 ARG A 80 -16.737 3.343 8.376 1.00 71.21 N ATOM 1162 NH2 ARG A 80 -17.932 2.342 10.061 1.00 64.04 N ATOM 0 H ARG A 80 -12.158 -0.582 4.222 1.00 52.33 H new ATOM 0 HA ARG A 80 -14.134 0.257 4.822 1.00 42.41 H new ATOM 0 HB2 ARG A 80 -13.162 -0.486 7.024 1.00 63.22 H new ATOM 0 HB3 ARG A 80 -12.618 1.156 7.302 1.00 63.22 H new ATOM 0 HG2 ARG A 80 -15.286 1.556 6.738 1.00 60.44 H new ATOM 0 HG3 ARG A 80 -15.329 -0.005 7.534 1.00 60.44 H new ATOM 0 HD2 ARG A 80 -13.801 1.092 9.340 1.00 20.02 H new ATOM 0 HD3 ARG A 80 -14.265 2.620 8.617 1.00 20.02 H new ATOM 0 HE ARG A 80 -15.934 0.874 10.268 1.00 23.41 H new ATOM 0 HH11 ARG A 80 -15.894 3.405 7.806 1.00 71.21 H new ATOM 0 HH12 ARG A 80 -17.508 3.992 8.218 1.00 71.21 H new ATOM 0 HH21 ARG A 80 -18.010 1.632 10.789 1.00 64.04 H new ATOM 0 HH22 ARG A 80 -18.701 2.993 9.899 1.00 64.04 H new ATOM 1173 N LEU A 81 -13.677 2.599 3.729 1.00 2.24 N ATOM 1174 CA LEU A 81 -13.833 3.987 3.305 1.00 52.34 C ATOM 1175 C LEU A 81 -14.874 4.703 4.160 1.00 43.32 C ATOM 1176 O LEU A 81 -15.593 4.074 4.936 1.00 63.33 O ATOM 1177 CB LEU A 81 -14.237 4.048 1.830 1.00 73.15 C ATOM 1178 CG LEU A 81 -15.684 3.670 1.515 1.00 35.34 C ATOM 1179 CD1 LEU A 81 -16.090 2.421 2.282 1.00 43.44 C ATOM 1180 CD2 LEU A 81 -16.621 4.825 1.842 1.00 2.41 C ATOM 0 H LEU A 81 -13.749 1.917 2.974 1.00 2.24 H new ATOM 0 HA LEU A 81 -12.875 4.491 3.434 1.00 52.34 H new ATOM 0 HB2 LEU A 81 -14.060 5.060 1.467 1.00 73.15 H new ATOM 0 HB3 LEU A 81 -13.579 3.387 1.266 1.00 73.15 H new ATOM 0 HG LEU A 81 -15.758 3.457 0.449 1.00 35.34 H new ATOM 0 HD11 LEU A 81 -17.123 2.168 2.044 1.00 43.44 H new ATOM 0 HD12 LEU A 81 -15.440 1.593 2.000 1.00 43.44 H new ATOM 0 HD13 LEU A 81 -15.999 2.606 3.352 1.00 43.44 H new ATOM 0 HD21 LEU A 81 -17.647 4.538 1.611 1.00 2.41 H new ATOM 0 HD22 LEU A 81 -16.542 5.069 2.901 1.00 2.41 H new ATOM 0 HD23 LEU A 81 -16.346 5.696 1.248 1.00 2.41 H new