USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 47 GLN :FLIP amide:sc= -3.02! C(o=-4.3!,f=-2.9!) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 151:sc= 0.129 (180deg=0) USER MOD Set 2.1: A 14 ASN : amide:sc= -4.69! C(o=-5.5!,f=-13!) USER MOD Set 2.2: A 20 TYR OH : rot 15:sc= -0.803 USER MOD Single : A 9 GLN : amide:sc=-0.00689 X(o=-0.0069,f=-0.0069) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 20:sc= 0.185 USER MOD Single : A 22 TYR OH : rot 30:sc= -0.492 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 ASN : amide:sc= -0.093 K(o=-0.093,f=-1.9!) USER MOD Single : A 28 SER OG : rot 170:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= -0.0149 (180deg=-0.213) USER MOD Single : A 35 GLN : amide:sc= -3.66! C(o=-3.7!,f=-4.3!) USER MOD Single : A 36 GLN : amide:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= -0.729 K(o=-0.73,f=-3.2!) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0554) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -5.81! C(o=-5.8!,f=-13!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.36) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.4) USER MOD Single : A 66 TYR OH : rot -93:sc= 1.06 USER MOD Single : A 69 GLN : amide:sc= -0.597 K(o=-0.6,f=-1.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 27:sc= 0.363 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.594 -4.003 -4.126 1.00 0.00 N ATOM 60 CA GLY A 7 -7.671 -3.173 -3.374 1.00 0.00 C ATOM 61 C GLY A 7 -8.382 -2.222 -2.432 1.00 0.00 C ATOM 62 O GLY A 7 -9.609 -2.123 -2.449 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.998 -3.811 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.055 -2.600 -4.067 1.00 0.00 H new ATOM 66 N ILE A 8 -7.610 -1.521 -1.608 1.00 0.00 N ATOM 67 CA ILE A 8 -8.174 -0.574 -0.654 1.00 0.00 C ATOM 68 C ILE A 8 -7.668 0.840 -0.919 1.00 0.00 C ATOM 69 O ILE A 8 -6.555 1.029 -1.409 1.00 0.00 O ATOM 70 CB ILE A 8 -7.835 -0.965 0.796 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.333 -0.817 1.050 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.287 -2.390 1.080 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.985 -0.600 2.505 1.00 0.00 C ATOM 0 H ILE A 8 -6.593 -1.591 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.256 -0.601 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.367 -0.294 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.822 -1.711 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.955 0.022 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.040 -2.652 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.365 -2.466 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.780 -3.075 0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.904 -0.504 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.467 0.310 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.332 -1.450 3.093 1.00 0.00 H new ATOM 85 N GLN A 9 -8.492 1.829 -0.590 1.00 0.00 N ATOM 86 CA GLN A 9 -8.126 3.226 -0.792 1.00 0.00 C ATOM 87 C GLN A 9 -7.718 3.878 0.526 1.00 0.00 C ATOM 88 O GLN A 9 -8.461 3.836 1.507 1.00 0.00 O ATOM 89 CB GLN A 9 -9.292 3.995 -1.415 1.00 0.00 C ATOM 90 CG GLN A 9 -8.865 5.252 -2.157 1.00 0.00 C ATOM 91 CD GLN A 9 -9.812 5.616 -3.283 1.00 0.00 C ATOM 92 OE1 GLN A 9 -9.460 5.528 -4.459 1.00 0.00 O ATOM 93 NE2 GLN A 9 -11.024 6.027 -2.928 1.00 0.00 N ATOM 0 H GLN A 9 -9.417 1.689 -0.183 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.274 3.258 -1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.822 3.338 -2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.997 4.268 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.807 6.082 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.864 5.107 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.274 6.085 -1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.705 6.285 -3.643 1.00 0.00 H new ATOM 102 N VAL A 10 -6.533 4.480 0.540 1.00 0.00 N ATOM 103 CA VAL A 10 -6.027 5.141 1.737 1.00 0.00 C ATOM 104 C VAL A 10 -5.632 6.584 1.442 1.00 0.00 C ATOM 105 O VAL A 10 -5.017 6.873 0.416 1.00 0.00 O ATOM 106 CB VAL A 10 -4.810 4.396 2.317 1.00 0.00 C ATOM 107 CG1 VAL A 10 -5.220 3.028 2.839 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.714 4.270 1.270 1.00 0.00 C ATOM 0 H VAL A 10 -5.906 4.524 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.834 5.130 2.470 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.417 4.974 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.347 2.517 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.968 3.147 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.639 2.438 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.862 3.741 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.093 3.715 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.401 5.264 0.950 1.00 0.00 H new ATOM 118 N PHE A 11 -5.991 7.487 2.349 1.00 0.00 N ATOM 119 CA PHE A 11 -5.675 8.901 2.187 1.00 0.00 C ATOM 120 C PHE A 11 -4.299 9.221 2.764 1.00 0.00 C ATOM 121 O PHE A 11 -4.003 8.892 3.913 1.00 0.00 O ATOM 122 CB PHE A 11 -6.739 9.764 2.867 1.00 0.00 C ATOM 123 CG PHE A 11 -8.109 9.610 2.270 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.436 10.245 1.083 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.068 8.831 2.895 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.695 10.106 0.530 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.329 8.687 2.346 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.643 9.326 1.163 1.00 0.00 C ATOM 0 H PHE A 11 -6.501 7.264 3.204 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.663 9.125 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.782 9.507 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.440 10.810 2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.698 10.856 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.829 8.330 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.937 10.607 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.068 8.075 2.842 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.628 9.216 0.734 1.00 0.00 H new ATOM 138 N VAL A 12 -3.461 9.864 1.958 1.00 0.00 N ATOM 139 CA VAL A 12 -2.116 10.230 2.387 1.00 0.00 C ATOM 140 C VAL A 12 -1.994 11.736 2.589 1.00 0.00 C ATOM 141 O VAL A 12 -1.940 12.500 1.625 1.00 0.00 O ATOM 142 CB VAL A 12 -1.058 9.772 1.366 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.321 10.278 1.763 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.061 8.256 1.238 1.00 0.00 C ATOM 0 H VAL A 12 -3.689 10.143 1.004 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.937 9.724 3.336 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.310 10.196 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.056 9.945 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.312 11.367 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.584 9.885 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.307 7.951 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.835 7.809 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.043 7.921 0.904 1.00 0.00 H new ATOM 154 N LYS A 13 -1.951 12.157 3.848 1.00 0.00 N ATOM 155 CA LYS A 13 -1.833 13.572 4.179 1.00 0.00 C ATOM 156 C LYS A 13 -0.370 14.002 4.217 1.00 0.00 C ATOM 157 O LYS A 13 0.463 13.346 4.841 1.00 0.00 O ATOM 158 CB LYS A 13 -2.495 13.858 5.529 1.00 0.00 C ATOM 159 CG LYS A 13 -1.947 15.092 6.225 1.00 0.00 C ATOM 160 CD LYS A 13 -2.567 15.277 7.601 1.00 0.00 C ATOM 161 CE LYS A 13 -3.827 16.125 7.534 1.00 0.00 C ATOM 162 NZ LYS A 13 -4.534 16.172 8.844 1.00 0.00 N ATOM 0 H LYS A 13 -1.996 11.538 4.657 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.341 14.144 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.568 13.982 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.361 12.994 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.865 15.006 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.144 15.973 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.805 14.303 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.844 15.749 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.567 17.137 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.496 15.722 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.388 16.760 8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.804 15.209 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.904 16.581 9.564 1.00 0.00 H new ATOM 176 N ASN A 14 -0.066 15.108 3.546 1.00 0.00 N ATOM 177 CA ASN A 14 1.297 15.626 3.504 1.00 0.00 C ATOM 178 C ASN A 14 1.535 16.624 4.633 1.00 0.00 C ATOM 179 O ASN A 14 0.602 17.207 5.186 1.00 0.00 O ATOM 180 CB ASN A 14 1.570 16.292 2.154 1.00 0.00 C ATOM 181 CG ASN A 14 0.359 17.028 1.617 1.00 0.00 C ATOM 182 OD1 ASN A 14 -0.426 17.595 2.378 1.00 0.00 O ATOM 183 ND2 ASN A 14 0.200 17.024 0.298 1.00 0.00 N ATOM 0 H ASN A 14 -0.744 15.663 3.024 1.00 0.00 H new ATOM 0 HA ASN A 14 1.982 14.788 3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.400 16.991 2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.880 15.534 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.597 17.503 -0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.875 16.542 -0.296 1.00 0.00 H new ATOM 190 N PRO A 15 2.813 16.827 4.984 1.00 0.00 N ATOM 191 CA PRO A 15 3.204 17.755 6.049 1.00 0.00 C ATOM 192 C PRO A 15 2.977 19.212 5.661 1.00 0.00 C ATOM 193 O PRO A 15 3.148 20.116 6.478 1.00 0.00 O ATOM 194 CB PRO A 15 4.698 17.477 6.232 1.00 0.00 C ATOM 195 CG PRO A 15 5.146 16.934 4.918 1.00 0.00 C ATOM 196 CD PRO A 15 3.976 16.166 4.367 1.00 0.00 C ATOM 0 HA PRO A 15 2.615 17.607 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.241 18.386 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.872 16.762 7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.438 17.738 4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.015 16.288 5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.937 16.218 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.027 15.110 4.634 1.00 0.00 H new ATOM 204 N ASP A 16 2.591 19.432 4.409 1.00 0.00 N ATOM 205 CA ASP A 16 2.339 20.780 3.912 1.00 0.00 C ATOM 206 C ASP A 16 0.862 21.139 4.041 1.00 0.00 C ATOM 207 O ASP A 16 0.515 22.252 4.433 1.00 0.00 O ATOM 208 CB ASP A 16 2.781 20.900 2.453 1.00 0.00 C ATOM 209 CG ASP A 16 4.172 20.342 2.221 1.00 0.00 C ATOM 210 OD1 ASP A 16 5.153 21.039 2.555 1.00 0.00 O ATOM 211 OD2 ASP A 16 4.279 19.210 1.705 1.00 0.00 O ATOM 0 H ASP A 16 2.446 18.694 3.720 1.00 0.00 H new ATOM 0 HA ASP A 16 2.918 21.478 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.070 20.372 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.759 21.948 2.155 1.00 0.00 H new ATOM 216 N GLY A 17 -0.005 20.188 3.705 1.00 0.00 N ATOM 217 CA GLY A 17 -1.434 20.423 3.789 1.00 0.00 C ATOM 218 C GLY A 17 -2.180 19.894 2.580 1.00 0.00 C ATOM 219 O GLY A 17 -2.312 20.586 1.571 1.00 0.00 O ATOM 0 H GLY A 17 0.258 19.259 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.825 19.949 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.618 21.493 3.886 1.00 0.00 H new ATOM 223 N GLY A 18 -2.670 18.662 2.681 1.00 0.00 N ATOM 224 CA GLY A 18 -3.399 18.061 1.580 1.00 0.00 C ATOM 225 C GLY A 18 -3.308 16.548 1.582 1.00 0.00 C ATOM 226 O GLY A 18 -2.214 15.985 1.609 1.00 0.00 O ATOM 0 H GLY A 18 -2.575 18.070 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.446 18.359 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.008 18.444 0.637 1.00 0.00 H new ATOM 230 N SER A 19 -4.461 15.887 1.555 1.00 0.00 N ATOM 231 CA SER A 19 -4.507 14.430 1.559 1.00 0.00 C ATOM 232 C SER A 19 -5.030 13.899 0.227 1.00 0.00 C ATOM 233 O SER A 19 -6.063 14.347 -0.270 1.00 0.00 O ATOM 234 CB SER A 19 -5.392 13.930 2.703 1.00 0.00 C ATOM 235 OG SER A 19 -6.761 14.177 2.434 1.00 0.00 O ATOM 0 H SER A 19 -5.376 16.338 1.530 1.00 0.00 H new ATOM 0 HA SER A 19 -3.492 14.059 1.705 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.234 12.861 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.106 14.424 3.631 1.00 0.00 H new ATOM 0 HG SER A 19 -6.886 14.315 1.472 1.00 0.00 H new ATOM 241 N TYR A 20 -4.308 12.941 -0.344 1.00 0.00 N ATOM 242 CA TYR A 20 -4.696 12.350 -1.619 1.00 0.00 C ATOM 243 C TYR A 20 -5.056 10.877 -1.450 1.00 0.00 C ATOM 244 O TYR A 20 -4.474 10.175 -0.624 1.00 0.00 O ATOM 245 CB TYR A 20 -3.565 12.495 -2.638 1.00 0.00 C ATOM 246 CG TYR A 20 -2.786 13.784 -2.498 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.386 15.012 -2.745 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.449 13.772 -2.118 1.00 0.00 C ATOM 249 CE1 TYR A 20 -2.678 16.191 -2.618 1.00 0.00 C ATOM 250 CE2 TYR A 20 -0.733 14.947 -1.988 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.352 16.154 -2.239 1.00 0.00 C ATOM 252 OH TYR A 20 -0.643 17.326 -2.111 1.00 0.00 O ATOM 0 H TYR A 20 -3.452 12.558 0.056 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.575 12.881 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.881 11.653 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.983 12.440 -3.643 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.424 15.046 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.961 12.829 -1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.160 17.137 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.305 14.920 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.264 18.083 -2.087 1.00 0.00 H new ATOM 262 N ALA A 21 -6.021 10.416 -2.239 1.00 0.00 N ATOM 263 CA ALA A 21 -6.458 9.027 -2.180 1.00 0.00 C ATOM 264 C ALA A 21 -5.571 8.135 -3.041 1.00 0.00 C ATOM 265 O ALA A 21 -5.416 8.369 -4.240 1.00 0.00 O ATOM 266 CB ALA A 21 -7.910 8.911 -2.619 1.00 0.00 C ATOM 0 H ALA A 21 -6.515 10.985 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.374 8.690 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.223 7.868 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.538 9.510 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.011 9.272 -3.643 1.00 0.00 H new ATOM 272 N TYR A 22 -4.990 7.112 -2.423 1.00 0.00 N ATOM 273 CA TYR A 22 -4.116 6.187 -3.133 1.00 0.00 C ATOM 274 C TYR A 22 -4.761 4.810 -3.252 1.00 0.00 C ATOM 275 O TYR A 22 -5.532 4.396 -2.386 1.00 0.00 O ATOM 276 CB TYR A 22 -2.770 6.071 -2.414 1.00 0.00 C ATOM 277 CG TYR A 22 -1.855 7.251 -2.649 1.00 0.00 C ATOM 278 CD1 TYR A 22 -2.069 8.461 -2.001 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.775 7.155 -3.518 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.235 9.542 -2.213 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.065 8.231 -3.736 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.170 9.422 -3.081 1.00 0.00 C ATOM 283 OH TYR A 22 0.664 10.496 -3.294 1.00 0.00 O ATOM 0 H TYR A 22 -5.109 6.903 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.953 6.580 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.947 5.967 -1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.268 5.161 -2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.901 8.558 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.589 6.224 -4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.416 10.476 -1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.900 8.140 -4.415 1.00 0.00 H new ATOM 0 HH TYR A 22 0.696 11.051 -2.487 1.00 0.00 H new ATOM 293 N ALA A 23 -4.440 4.104 -4.332 1.00 0.00 N ATOM 294 CA ALA A 23 -4.986 2.773 -4.565 1.00 0.00 C ATOM 295 C ALA A 23 -3.882 1.722 -4.577 1.00 0.00 C ATOM 296 O ALA A 23 -2.986 1.759 -5.422 1.00 0.00 O ATOM 297 CB ALA A 23 -5.762 2.742 -5.873 1.00 0.00 C ATOM 0 H ALA A 23 -3.804 4.432 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.667 2.538 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.164 1.742 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.581 3.459 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.097 3.003 -6.697 1.00 0.00 H new ATOM 303 N ILE A 24 -3.951 0.786 -3.636 1.00 0.00 N ATOM 304 CA ILE A 24 -2.957 -0.276 -3.541 1.00 0.00 C ATOM 305 C ILE A 24 -3.518 -1.489 -2.806 1.00 0.00 C ATOM 306 O ILE A 24 -4.031 -1.372 -1.694 1.00 0.00 O ATOM 307 CB ILE A 24 -1.686 0.207 -2.816 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.627 -0.897 -2.810 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.018 0.639 -1.396 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.744 -0.416 -2.386 1.00 0.00 C ATOM 0 H ILE A 24 -4.685 0.742 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.698 -0.560 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.284 1.067 -3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.948 -1.693 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.559 -1.330 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.110 0.977 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.742 1.453 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.440 -0.204 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.444 -1.251 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.086 0.360 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.691 -0.010 -1.376 1.00 0.00 H new ATOM 322 N ASN A 25 -3.414 -2.655 -3.436 1.00 0.00 N ATOM 323 CA ASN A 25 -3.909 -3.891 -2.841 1.00 0.00 C ATOM 324 C ASN A 25 -3.278 -4.127 -1.472 1.00 0.00 C ATOM 325 O ASN A 25 -2.145 -3.727 -1.206 1.00 0.00 O ATOM 326 CB ASN A 25 -3.616 -5.078 -3.762 1.00 0.00 C ATOM 327 CG ASN A 25 -4.732 -5.327 -4.757 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.761 -5.912 -4.419 1.00 0.00 O ATOM 329 ND2 ASN A 25 -4.533 -4.883 -5.993 1.00 0.00 N ATOM 0 H ASN A 25 -2.992 -2.770 -4.357 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.987 -3.797 -2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.686 -4.895 -4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.464 -5.973 -3.159 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.249 -5.022 -6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.664 -4.403 -6.229 1.00 0.00 H new ATOM 336 N PRO A 26 -4.028 -4.794 -0.582 1.00 0.00 N ATOM 337 CA PRO A 26 -3.563 -5.100 0.774 1.00 0.00 C ATOM 338 C PRO A 26 -2.451 -6.143 0.783 1.00 0.00 C ATOM 339 O PRO A 26 -1.776 -6.334 1.794 1.00 0.00 O ATOM 340 CB PRO A 26 -4.816 -5.649 1.463 1.00 0.00 C ATOM 341 CG PRO A 26 -5.653 -6.187 0.354 1.00 0.00 C ATOM 342 CD PRO A 26 -5.388 -5.302 -0.832 1.00 0.00 C ATOM 0 HA PRO A 26 -3.137 -4.226 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.563 -6.428 2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.341 -4.867 2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.391 -7.222 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.710 -6.175 0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.444 -5.857 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.114 -4.491 -0.899 1.00 0.00 H new ATOM 350 N ASN A 27 -2.265 -6.814 -0.349 1.00 0.00 N ATOM 351 CA ASN A 27 -1.233 -7.837 -0.470 1.00 0.00 C ATOM 352 C ASN A 27 0.141 -7.204 -0.667 1.00 0.00 C ATOM 353 O ASN A 27 1.152 -7.734 -0.207 1.00 0.00 O ATOM 354 CB ASN A 27 -1.548 -8.773 -1.639 1.00 0.00 C ATOM 355 CG ASN A 27 -2.490 -9.894 -1.245 1.00 0.00 C ATOM 356 OD1 ASN A 27 -2.558 -10.281 -0.078 1.00 0.00 O ATOM 357 ND2 ASN A 27 -3.222 -10.421 -2.219 1.00 0.00 N ATOM 0 H ASN A 27 -2.815 -6.668 -1.195 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.218 -8.413 0.455 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.992 -8.198 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.620 -9.199 -2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.874 -11.178 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.133 -10.068 -3.172 1.00 0.00 H new ATOM 364 N SER A 28 0.169 -6.066 -1.354 1.00 0.00 N ATOM 365 CA SER A 28 1.419 -5.362 -1.615 1.00 0.00 C ATOM 366 C SER A 28 2.078 -4.924 -0.310 1.00 0.00 C ATOM 367 O SER A 28 1.427 -4.844 0.732 1.00 0.00 O ATOM 368 CB SER A 28 1.167 -4.144 -2.506 1.00 0.00 C ATOM 369 OG SER A 28 2.383 -3.620 -3.010 1.00 0.00 O ATOM 0 H SER A 28 -0.659 -5.612 -1.740 1.00 0.00 H new ATOM 0 HA SER A 28 2.092 -6.047 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.517 -4.424 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.644 -3.375 -1.937 1.00 0.00 H new ATOM 0 HG SER A 28 2.190 -2.950 -3.699 1.00 0.00 H new ATOM 375 N PHE A 29 3.375 -4.640 -0.376 1.00 0.00 N ATOM 376 CA PHE A 29 4.124 -4.211 0.799 1.00 0.00 C ATOM 377 C PHE A 29 4.027 -2.699 0.984 1.00 0.00 C ATOM 378 O PHE A 29 4.028 -1.943 0.012 1.00 0.00 O ATOM 379 CB PHE A 29 5.591 -4.627 0.675 1.00 0.00 C ATOM 380 CG PHE A 29 5.776 -6.082 0.350 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.617 -7.050 1.328 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.109 -6.481 -0.935 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.787 -8.389 1.032 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.280 -7.819 -1.237 1.00 0.00 C ATOM 385 CZ PHE A 29 6.118 -8.774 -0.253 1.00 0.00 C ATOM 0 H PHE A 29 3.929 -4.699 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 29 3.688 -4.695 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.066 -4.026 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.104 -4.404 1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.357 -6.755 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.236 -5.738 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.661 -9.134 1.804 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.540 -8.117 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.250 -9.820 -0.487 1.00 0.00 H new ATOM 395 N ILE A 30 3.942 -2.267 2.237 1.00 0.00 N ATOM 396 CA ILE A 30 3.844 -0.847 2.550 1.00 0.00 C ATOM 397 C ILE A 30 4.761 -0.022 1.653 1.00 0.00 C ATOM 398 O ILE A 30 4.336 0.964 1.049 1.00 0.00 O ATOM 399 CB ILE A 30 4.198 -0.568 4.023 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.060 -1.022 4.938 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.492 0.910 4.226 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.821 -0.160 4.835 1.00 0.00 C ATOM 0 H ILE A 30 3.939 -2.880 3.052 1.00 0.00 H new ATOM 0 HA ILE A 30 2.808 -0.556 2.373 1.00 0.00 H new ATOM 0 HB ILE A 30 5.093 -1.134 4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.798 -2.052 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.411 -1.018 5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.740 1.091 5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.333 1.203 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.614 1.496 3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.056 -0.541 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.068 0.866 5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.445 -0.184 3.812 1.00 0.00 H new ATOM 414 N LEU A 31 6.022 -0.432 1.569 1.00 0.00 N ATOM 415 CA LEU A 31 7.001 0.267 0.744 1.00 0.00 C ATOM 416 C LEU A 31 6.403 0.647 -0.607 1.00 0.00 C ATOM 417 O LEU A 31 6.538 1.782 -1.060 1.00 0.00 O ATOM 418 CB LEU A 31 8.241 -0.605 0.539 1.00 0.00 C ATOM 419 CG LEU A 31 9.559 0.141 0.331 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.845 1.057 1.511 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.702 -0.843 0.129 1.00 0.00 C ATOM 0 H LEU A 31 6.390 -1.245 2.062 1.00 0.00 H new ATOM 0 HA LEU A 31 7.290 1.181 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.349 -1.258 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.070 -1.247 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 31 9.470 0.754 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.787 1.580 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.039 1.784 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.914 0.464 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.633 -0.295 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.792 -1.482 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.502 -1.458 -0.748 1.00 0.00 H new ATOM 433 N GLY A 32 5.738 -0.312 -1.244 1.00 0.00 N ATOM 434 CA GLY A 32 5.127 -0.058 -2.536 1.00 0.00 C ATOM 435 C GLY A 32 4.246 1.175 -2.528 1.00 0.00 C ATOM 436 O GLY A 32 4.294 1.988 -3.453 1.00 0.00 O ATOM 0 H GLY A 32 5.611 -1.260 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.908 0.062 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.533 -0.923 -2.830 1.00 0.00 H new ATOM 440 N LEU A 33 3.438 1.317 -1.483 1.00 0.00 N ATOM 441 CA LEU A 33 2.541 2.460 -1.360 1.00 0.00 C ATOM 442 C LEU A 33 3.326 3.767 -1.321 1.00 0.00 C ATOM 443 O LEU A 33 2.984 4.730 -2.008 1.00 0.00 O ATOM 444 CB LEU A 33 1.686 2.328 -0.098 1.00 0.00 C ATOM 445 CG LEU A 33 0.990 3.604 0.378 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.046 4.058 -0.638 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.345 3.384 1.738 1.00 0.00 C ATOM 0 H LEU A 33 3.386 0.655 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 33 1.890 2.475 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.925 1.568 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.320 1.961 0.709 1.00 0.00 H new ATOM 0 HG LEU A 33 1.740 4.389 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.531 4.967 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.443 4.257 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.794 3.276 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.145 4.302 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.393 2.585 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.110 3.107 2.463 1.00 0.00 H new ATOM 459 N LYS A 34 4.382 3.794 -0.515 1.00 0.00 N ATOM 460 CA LYS A 34 5.219 4.981 -0.389 1.00 0.00 C ATOM 461 C LYS A 34 5.750 5.420 -1.750 1.00 0.00 C ATOM 462 O LYS A 34 5.501 6.542 -2.190 1.00 0.00 O ATOM 463 CB LYS A 34 6.388 4.707 0.561 1.00 0.00 C ATOM 464 CG LYS A 34 6.079 5.028 2.013 1.00 0.00 C ATOM 465 CD LYS A 34 5.351 3.882 2.696 1.00 0.00 C ATOM 466 CE LYS A 34 5.344 4.048 4.208 1.00 0.00 C ATOM 467 NZ LYS A 34 6.698 3.851 4.794 1.00 0.00 N ATOM 0 H LYS A 34 4.679 3.006 0.061 1.00 0.00 H new ATOM 0 HA LYS A 34 4.606 5.785 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.671 3.657 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.249 5.295 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.007 5.239 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.469 5.930 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.326 3.831 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.830 2.938 2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.980 5.043 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.650 3.332 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.612 3.668 5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.160 3.040 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.270 4.707 4.643 1.00 0.00 H new ATOM 481 N GLN A 35 6.480 4.528 -2.411 1.00 0.00 N ATOM 482 CA GLN A 35 7.044 4.824 -3.723 1.00 0.00 C ATOM 483 C GLN A 35 6.022 5.532 -4.607 1.00 0.00 C ATOM 484 O GLN A 35 6.346 6.505 -5.288 1.00 0.00 O ATOM 485 CB GLN A 35 7.518 3.537 -4.401 1.00 0.00 C ATOM 486 CG GLN A 35 8.500 3.774 -5.536 1.00 0.00 C ATOM 487 CD GLN A 35 8.002 4.800 -6.535 1.00 0.00 C ATOM 488 OE1 GLN A 35 6.895 4.683 -7.062 1.00 0.00 O ATOM 489 NE2 GLN A 35 8.818 5.813 -6.800 1.00 0.00 N ATOM 0 H GLN A 35 6.695 3.595 -2.060 1.00 0.00 H new ATOM 0 HA GLN A 35 7.898 5.487 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.986 2.894 -3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.652 2.999 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.452 4.107 -5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.688 2.832 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.727 5.870 -6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.536 6.535 -7.464 1.00 0.00 H new ATOM 498 N GLN A 36 4.789 5.036 -4.592 1.00 0.00 N ATOM 499 CA GLN A 36 3.721 5.622 -5.393 1.00 0.00 C ATOM 500 C GLN A 36 3.535 7.098 -5.059 1.00 0.00 C ATOM 501 O GLN A 36 3.267 7.915 -5.940 1.00 0.00 O ATOM 502 CB GLN A 36 2.411 4.866 -5.165 1.00 0.00 C ATOM 503 CG GLN A 36 2.242 3.654 -6.068 1.00 0.00 C ATOM 504 CD GLN A 36 0.815 3.144 -6.100 1.00 0.00 C ATOM 505 OE1 GLN A 36 0.101 3.325 -7.087 1.00 0.00 O ATOM 506 NE2 GLN A 36 0.391 2.503 -5.018 1.00 0.00 N ATOM 0 H GLN A 36 4.505 4.230 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 36 4.002 5.540 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.364 4.543 -4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.575 5.547 -5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.554 3.913 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.901 2.856 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.017 2.376 -4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.561 2.138 -4.982 1.00 0.00 H new ATOM 515 N ILE A 37 3.678 7.432 -3.781 1.00 0.00 N ATOM 516 CA ILE A 37 3.527 8.810 -3.330 1.00 0.00 C ATOM 517 C ILE A 37 4.637 9.695 -3.886 1.00 0.00 C ATOM 518 O ILE A 37 4.405 10.852 -4.237 1.00 0.00 O ATOM 519 CB ILE A 37 3.532 8.903 -1.793 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.293 8.218 -1.214 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.595 10.358 -1.351 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.398 7.929 0.267 1.00 0.00 C ATOM 0 H ILE A 37 3.898 6.767 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 37 2.565 9.161 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 37 4.417 8.390 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.422 8.849 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.123 7.283 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.598 10.408 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.505 10.817 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.727 10.893 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.484 7.443 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.248 7.272 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.537 8.863 0.811 1.00 0.00 H new ATOM 534 N GLU A 38 5.844 9.143 -3.965 1.00 0.00 N ATOM 535 CA GLU A 38 6.990 9.883 -4.480 1.00 0.00 C ATOM 536 C GLU A 38 6.702 10.429 -5.876 1.00 0.00 C ATOM 537 O GLU A 38 6.966 11.597 -6.163 1.00 0.00 O ATOM 538 CB GLU A 38 8.229 8.986 -4.517 1.00 0.00 C ATOM 539 CG GLU A 38 9.484 9.702 -4.987 1.00 0.00 C ATOM 540 CD GLU A 38 9.650 9.659 -6.494 1.00 0.00 C ATOM 541 OE1 GLU A 38 9.239 8.651 -7.107 1.00 0.00 O ATOM 542 OE2 GLU A 38 10.191 10.631 -7.060 1.00 0.00 O ATOM 0 H GLU A 38 6.053 8.187 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 38 7.178 10.723 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.404 8.581 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.035 8.140 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.450 10.741 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.355 9.247 -4.516 1.00 0.00 H new ATOM 549 N ASP A 39 6.161 9.576 -6.738 1.00 0.00 N ATOM 550 CA ASP A 39 5.837 9.972 -8.104 1.00 0.00 C ATOM 551 C ASP A 39 4.686 10.972 -8.121 1.00 0.00 C ATOM 552 O ASP A 39 4.353 11.531 -9.166 1.00 0.00 O ATOM 553 CB ASP A 39 5.475 8.744 -8.941 1.00 0.00 C ATOM 554 CG ASP A 39 6.699 8.003 -9.442 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.651 8.671 -9.896 1.00 0.00 O ATOM 556 OD2 ASP A 39 6.704 6.756 -9.381 1.00 0.00 O ATOM 0 H ASP A 39 5.937 8.606 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 39 6.716 10.450 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.864 8.068 -8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.868 9.054 -9.792 1.00 0.00 H new ATOM 561 N GLN A 40 4.082 11.192 -6.957 1.00 0.00 N ATOM 562 CA GLN A 40 2.967 12.124 -6.840 1.00 0.00 C ATOM 563 C GLN A 40 3.419 13.437 -6.211 1.00 0.00 C ATOM 564 O GLN A 40 3.427 14.479 -6.867 1.00 0.00 O ATOM 565 CB GLN A 40 1.844 11.505 -6.005 1.00 0.00 C ATOM 566 CG GLN A 40 1.201 10.290 -6.655 1.00 0.00 C ATOM 567 CD GLN A 40 0.171 10.664 -7.702 1.00 0.00 C ATOM 568 OE1 GLN A 40 -0.757 11.427 -7.432 1.00 0.00 O ATOM 569 NE2 GLN A 40 0.329 10.128 -8.907 1.00 0.00 N ATOM 0 H GLN A 40 4.346 10.738 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 40 2.593 12.332 -7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.242 11.218 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.078 12.259 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.976 9.677 -7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.727 9.680 -5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.113 9.500 -9.087 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.333 10.344 -9.652 1.00 0.00 H new ATOM 578 N GLN A 41 3.794 13.380 -4.937 1.00 0.00 N ATOM 579 CA GLN A 41 4.246 14.566 -4.221 1.00 0.00 C ATOM 580 C GLN A 41 5.676 14.927 -4.612 1.00 0.00 C ATOM 581 O GLN A 41 6.080 16.086 -4.526 1.00 0.00 O ATOM 582 CB GLN A 41 4.161 14.339 -2.710 1.00 0.00 C ATOM 583 CG GLN A 41 2.773 13.944 -2.232 1.00 0.00 C ATOM 584 CD GLN A 41 2.660 13.922 -0.721 1.00 0.00 C ATOM 585 OE1 GLN A 41 3.396 14.619 -0.022 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.736 13.119 -0.207 1.00 0.00 N ATOM 0 H GLN A 41 3.794 12.525 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 41 3.593 15.395 -4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.869 13.560 -2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.468 15.250 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.041 14.643 -2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.524 12.958 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.147 12.559 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.615 13.063 0.804 1.00 0.00 H new ATOM 595 N GLY A 42 6.437 13.925 -5.043 1.00 0.00 N ATOM 596 CA GLY A 42 7.813 14.157 -5.440 1.00 0.00 C ATOM 597 C GLY A 42 8.800 13.802 -4.346 1.00 0.00 C ATOM 598 O GLY A 42 9.979 13.568 -4.616 1.00 0.00 O ATOM 0 H GLY A 42 6.125 12.957 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.035 13.569 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.938 15.205 -5.711 1.00 0.00 H new ATOM 602 N LEU A 43 8.320 13.763 -3.108 1.00 0.00 N ATOM 603 CA LEU A 43 9.170 13.436 -1.968 1.00 0.00 C ATOM 604 C LEU A 43 9.639 11.986 -2.038 1.00 0.00 C ATOM 605 O LEU A 43 8.884 11.080 -2.392 1.00 0.00 O ATOM 606 CB LEU A 43 8.416 13.678 -0.660 1.00 0.00 C ATOM 607 CG LEU A 43 9.269 14.096 0.539 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.449 14.926 1.514 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.849 12.872 1.233 1.00 0.00 C ATOM 0 H LEU A 43 7.347 13.954 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 43 10.046 14.084 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.666 14.450 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.880 12.766 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 43 10.095 14.709 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.072 15.214 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.083 15.821 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.603 14.338 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.453 13.188 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.038 12.233 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.472 12.317 0.532 1.00 0.00 H new ATOM 621 N PRO A 44 10.914 11.759 -1.690 1.00 0.00 N ATOM 622 CA PRO A 44 11.512 10.421 -1.701 1.00 0.00 C ATOM 623 C PRO A 44 10.950 9.525 -0.602 1.00 0.00 C ATOM 624 O PRO A 44 10.977 9.880 0.576 1.00 0.00 O ATOM 625 CB PRO A 44 12.999 10.694 -1.461 1.00 0.00 C ATOM 626 CG PRO A 44 13.032 11.993 -0.733 1.00 0.00 C ATOM 627 CD PRO A 44 11.871 12.792 -1.257 1.00 0.00 C ATOM 0 HA PRO A 44 11.307 9.891 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.458 9.899 -0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.548 10.753 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.946 11.840 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.974 12.514 -0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.446 13.436 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.168 13.437 -2.084 1.00 0.00 H new ATOM 635 N LYS A 45 10.442 8.362 -0.995 1.00 0.00 N ATOM 636 CA LYS A 45 9.875 7.414 -0.044 1.00 0.00 C ATOM 637 C LYS A 45 10.837 7.162 1.112 1.00 0.00 C ATOM 638 O LYS A 45 10.433 7.127 2.274 1.00 0.00 O ATOM 639 CB LYS A 45 9.544 6.094 -0.744 1.00 0.00 C ATOM 640 CG LYS A 45 10.648 5.599 -1.662 1.00 0.00 C ATOM 641 CD LYS A 45 10.278 4.280 -2.319 1.00 0.00 C ATOM 642 CE LYS A 45 10.681 3.095 -1.455 1.00 0.00 C ATOM 643 NZ LYS A 45 12.149 2.852 -1.496 1.00 0.00 N ATOM 0 H LYS A 45 10.411 8.053 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 45 8.958 7.845 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.342 5.333 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.630 6.219 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.846 6.346 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.569 5.477 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.203 4.251 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.767 4.206 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.371 3.274 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.156 2.203 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.360 1.928 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.474 2.858 -2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.640 3.600 -0.966 1.00 0.00 H new ATOM 657 N LYS A 46 12.114 6.988 0.786 1.00 0.00 N ATOM 658 CA LYS A 46 13.135 6.742 1.797 1.00 0.00 C ATOM 659 C LYS A 46 13.023 7.745 2.940 1.00 0.00 C ATOM 660 O LYS A 46 13.521 7.504 4.039 1.00 0.00 O ATOM 661 CB LYS A 46 14.530 6.820 1.171 1.00 0.00 C ATOM 662 CG LYS A 46 15.127 8.216 1.188 1.00 0.00 C ATOM 663 CD LYS A 46 16.522 8.234 0.586 1.00 0.00 C ATOM 664 CE LYS A 46 16.982 9.652 0.286 1.00 0.00 C ATOM 665 NZ LYS A 46 18.027 9.684 -0.774 1.00 0.00 N ATOM 0 H LYS A 46 12.466 7.013 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 46 12.978 5.741 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.197 6.142 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.477 6.469 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.481 8.896 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.168 8.583 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.222 7.761 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.531 7.646 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.128 10.252 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.374 10.107 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.314 10.668 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.853 9.133 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.646 9.273 -1.650 1.00 0.00 H new ATOM 679 N GLN A 47 12.364 8.868 2.673 1.00 0.00 N ATOM 680 CA GLN A 47 12.186 9.907 3.681 1.00 0.00 C ATOM 681 C GLN A 47 10.759 9.905 4.218 1.00 0.00 C ATOM 682 O GLN A 47 10.539 9.754 5.419 1.00 0.00 O ATOM 683 CB GLN A 47 12.521 11.279 3.094 1.00 0.00 C ATOM 684 CG GLN A 47 14.012 11.566 3.030 1.00 0.00 C ATOM 685 CD GLN A 47 14.359 12.628 2.005 1.00 0.00 C ATOM 686 OE1 GLN A 47 13.429 13.544 1.764 1.00 0.00 O flip ATOM 687 NE2 GLN A 47 15.451 12.626 1.436 1.00 0.00 N flip ATOM 0 H GLN A 47 11.945 9.082 1.768 1.00 0.00 H new ATOM 0 HA GLN A 47 12.866 9.697 4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.103 11.347 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.037 12.050 3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.359 11.888 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.545 10.646 2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.137 11.903 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.669 13.348 0.749 1.00 0.00 H new ATOM 696 N GLN A 48 9.794 10.073 3.320 1.00 0.00 N ATOM 697 CA GLN A 48 8.387 10.092 3.705 1.00 0.00 C ATOM 698 C GLN A 48 8.083 8.984 4.708 1.00 0.00 C ATOM 699 O GLN A 48 8.321 7.807 4.437 1.00 0.00 O ATOM 700 CB GLN A 48 7.497 9.938 2.471 1.00 0.00 C ATOM 701 CG GLN A 48 7.161 8.493 2.140 1.00 0.00 C ATOM 702 CD GLN A 48 6.491 8.345 0.788 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.446 7.706 0.666 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.091 8.938 -0.238 1.00 0.00 N ATOM 0 H GLN A 48 9.960 10.198 2.321 1.00 0.00 H new ATOM 0 HA GLN A 48 8.178 11.052 4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.571 10.490 2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.996 10.392 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.075 7.899 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.506 8.090 2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.956 9.458 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.686 8.874 -1.172 1.00 0.00 H new ATOM 713 N GLN A 49 7.555 9.369 5.866 1.00 0.00 N ATOM 714 CA GLN A 49 7.220 8.407 6.909 1.00 0.00 C ATOM 715 C GLN A 49 5.732 8.459 7.239 1.00 0.00 C ATOM 716 O GLN A 49 5.247 9.431 7.819 1.00 0.00 O ATOM 717 CB GLN A 49 8.043 8.681 8.169 1.00 0.00 C ATOM 718 CG GLN A 49 7.873 7.624 9.248 1.00 0.00 C ATOM 719 CD GLN A 49 8.371 8.089 10.603 1.00 0.00 C ATOM 720 OE1 GLN A 49 7.765 8.953 11.237 1.00 0.00 O ATOM 721 NE2 GLN A 49 9.480 7.515 11.055 1.00 0.00 N ATOM 0 H GLN A 49 7.350 10.339 6.105 1.00 0.00 H new ATOM 0 HA GLN A 49 7.457 7.410 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.097 8.745 7.898 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.758 9.652 8.575 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.820 7.355 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.412 6.723 8.957 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.950 6.803 10.496 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.862 7.786 11.961 1.00 0.00 H new ATOM 730 N LEU A 50 5.011 7.408 6.864 1.00 0.00 N ATOM 731 CA LEU A 50 3.577 7.333 7.120 1.00 0.00 C ATOM 732 C LEU A 50 3.296 6.638 8.448 1.00 0.00 C ATOM 733 O LEU A 50 3.941 5.647 8.789 1.00 0.00 O ATOM 734 CB LEU A 50 2.874 6.589 5.983 1.00 0.00 C ATOM 735 CG LEU A 50 2.888 7.279 4.619 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.425 6.323 3.532 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.014 8.525 4.644 1.00 0.00 C ATOM 0 H LEU A 50 5.396 6.596 6.382 1.00 0.00 H new ATOM 0 HA LEU A 50 3.189 8.350 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.338 5.608 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.837 6.421 6.272 1.00 0.00 H new ATOM 0 HG LEU A 50 3.911 7.581 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.442 6.832 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.091 5.461 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.410 5.990 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.035 9.004 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.989 8.246 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.391 9.219 5.396 1.00 0.00 H new ATOM 749 N GLU A 51 2.328 7.163 9.193 1.00 0.00 N ATOM 750 CA GLU A 51 1.961 6.591 10.483 1.00 0.00 C ATOM 751 C GLU A 51 0.465 6.295 10.541 1.00 0.00 C ATOM 752 O GLU A 51 -0.317 6.834 9.758 1.00 0.00 O ATOM 753 CB GLU A 51 2.348 7.544 11.616 1.00 0.00 C ATOM 754 CG GLU A 51 3.837 7.559 11.917 1.00 0.00 C ATOM 755 CD GLU A 51 4.160 8.234 13.236 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.056 7.564 14.285 1.00 0.00 O ATOM 757 OE2 GLU A 51 4.515 9.430 13.219 1.00 0.00 O ATOM 0 H GLU A 51 1.784 7.983 8.925 1.00 0.00 H new ATOM 0 HA GLU A 51 2.504 5.654 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.028 8.553 11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.806 7.261 12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.210 6.535 11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.361 8.074 11.112 1.00 0.00 H new ATOM 764 N PHE A 52 0.075 5.434 11.475 1.00 0.00 N ATOM 765 CA PHE A 52 -1.327 5.064 11.636 1.00 0.00 C ATOM 766 C PHE A 52 -1.686 4.923 13.112 1.00 0.00 C ATOM 767 O PHE A 52 -1.231 4.000 13.786 1.00 0.00 O ATOM 768 CB PHE A 52 -1.618 3.754 10.901 1.00 0.00 C ATOM 769 CG PHE A 52 -3.078 3.405 10.854 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.983 4.240 10.219 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.545 2.241 11.443 1.00 0.00 C ATOM 772 CE1 PHE A 52 -5.327 3.921 10.174 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.888 1.917 11.401 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.780 2.758 10.765 1.00 0.00 C ATOM 0 H PHE A 52 0.709 4.979 12.132 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.938 5.857 11.206 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.237 3.826 9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.075 2.945 11.389 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.634 5.150 9.754 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.852 1.579 11.941 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.023 4.581 9.677 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.239 1.007 11.865 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.830 2.507 10.730 1.00 0.00 H new ATOM 784 N GLN A 53 -2.505 5.846 13.606 1.00 0.00 N ATOM 785 CA GLN A 53 -2.924 5.826 15.003 1.00 0.00 C ATOM 786 C GLN A 53 -1.718 5.883 15.934 1.00 0.00 C ATOM 787 O GLN A 53 -1.725 5.290 17.012 1.00 0.00 O ATOM 788 CB GLN A 53 -3.748 4.570 15.291 1.00 0.00 C ATOM 789 CG GLN A 53 -4.975 4.430 14.405 1.00 0.00 C ATOM 790 CD GLN A 53 -5.822 5.687 14.378 1.00 0.00 C ATOM 791 OE1 GLN A 53 -6.058 6.312 15.412 1.00 0.00 O ATOM 792 NE2 GLN A 53 -6.285 6.063 13.192 1.00 0.00 N ATOM 0 H GLN A 53 -2.891 6.616 13.060 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.541 6.706 15.185 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.115 3.693 15.161 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.063 4.584 16.334 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.660 4.187 13.390 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.581 3.596 14.759 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.064 5.514 12.361 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.862 6.901 13.112 1.00 0.00 H new ATOM 801 N GLY A 54 -0.682 6.600 15.510 1.00 0.00 N ATOM 802 CA GLY A 54 0.517 6.721 16.318 1.00 0.00 C ATOM 803 C GLY A 54 1.423 5.512 16.195 1.00 0.00 C ATOM 804 O GLY A 54 1.984 5.046 17.187 1.00 0.00 O ATOM 0 H GLY A 54 -0.652 7.099 14.621 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.065 7.614 16.018 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.236 6.856 17.362 1.00 0.00 H new ATOM 808 N GLN A 55 1.565 5.002 14.976 1.00 0.00 N ATOM 809 CA GLN A 55 2.407 3.838 14.729 1.00 0.00 C ATOM 810 C GLN A 55 3.286 4.053 13.502 1.00 0.00 C ATOM 811 O GLN A 55 2.904 4.757 12.567 1.00 0.00 O ATOM 812 CB GLN A 55 1.544 2.589 14.540 1.00 0.00 C ATOM 813 CG GLN A 55 0.643 2.286 15.726 1.00 0.00 C ATOM 814 CD GLN A 55 0.123 0.863 15.716 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.627 0.000 16.435 1.00 0.00 O ATOM 816 NE2 GLN A 55 -0.893 0.609 14.898 1.00 0.00 N ATOM 0 H GLN A 55 1.108 5.376 14.145 1.00 0.00 H new ATOM 0 HA GLN A 55 3.053 3.697 15.596 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.928 2.715 13.649 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.194 1.733 14.360 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.194 2.461 16.650 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.200 2.977 15.722 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.280 1.354 14.319 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.285 -0.331 14.849 1.00 0.00 H new ATOM 825 N VAL A 56 4.467 3.442 13.511 1.00 0.00 N ATOM 826 CA VAL A 56 5.401 3.567 12.399 1.00 0.00 C ATOM 827 C VAL A 56 5.290 2.377 11.452 1.00 0.00 C ATOM 828 O VAL A 56 5.649 1.253 11.806 1.00 0.00 O ATOM 829 CB VAL A 56 6.855 3.679 12.896 1.00 0.00 C ATOM 830 CG1 VAL A 56 7.816 3.775 11.721 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.010 4.877 13.821 1.00 0.00 C ATOM 0 H VAL A 56 4.799 2.855 14.277 1.00 0.00 H new ATOM 0 HA VAL A 56 5.136 4.480 11.865 1.00 0.00 H new ATOM 0 HB VAL A 56 7.098 2.779 13.460 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.838 3.853 12.092 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.723 2.884 11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.577 4.657 11.127 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.043 4.941 14.163 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.748 5.788 13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.350 4.761 14.681 1.00 0.00 H new ATOM 841 N LEU A 57 4.791 2.631 10.248 1.00 0.00 N ATOM 842 CA LEU A 57 4.633 1.580 9.248 1.00 0.00 C ATOM 843 C LEU A 57 5.975 1.223 8.617 1.00 0.00 C ATOM 844 O LEU A 57 6.662 2.085 8.070 1.00 0.00 O ATOM 845 CB LEU A 57 3.648 2.024 8.165 1.00 0.00 C ATOM 846 CG LEU A 57 2.352 2.667 8.659 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.524 3.168 7.486 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.552 1.679 9.495 1.00 0.00 C ATOM 0 H LEU A 57 4.489 3.555 9.940 1.00 0.00 H new ATOM 0 HA LEU A 57 4.240 0.694 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.155 2.732 7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.391 1.156 7.558 1.00 0.00 H new ATOM 0 HG LEU A 57 2.608 3.520 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.605 3.623 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.096 3.909 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.277 2.332 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.633 2.154 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.306 0.806 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.144 1.368 10.356 1.00 0.00 H new ATOM 860 N GLN A 58 6.339 -0.053 8.695 1.00 0.00 N ATOM 861 CA GLN A 58 7.597 -0.524 8.129 1.00 0.00 C ATOM 862 C GLN A 58 7.430 -0.890 6.658 1.00 0.00 C ATOM 863 O GLN A 58 6.355 -0.717 6.083 1.00 0.00 O ATOM 864 CB GLN A 58 8.112 -1.733 8.912 1.00 0.00 C ATOM 865 CG GLN A 58 8.348 -1.447 10.386 1.00 0.00 C ATOM 866 CD GLN A 58 9.337 -0.320 10.611 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.308 -0.174 9.869 1.00 0.00 O ATOM 868 NE2 GLN A 58 9.095 0.483 11.640 1.00 0.00 N ATOM 0 H GLN A 58 5.781 -0.779 9.145 1.00 0.00 H new ATOM 0 HA GLN A 58 8.324 0.285 8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.394 -2.548 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.044 -2.076 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.400 -1.193 10.859 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.715 -2.350 10.873 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.278 0.325 12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.727 1.258 11.841 1.00 0.00 H new ATOM 877 N ASP A 59 8.500 -1.396 6.054 1.00 0.00 N ATOM 878 CA ASP A 59 8.471 -1.787 4.649 1.00 0.00 C ATOM 879 C ASP A 59 8.184 -3.279 4.506 1.00 0.00 C ATOM 880 O ASP A 59 7.430 -3.694 3.626 1.00 0.00 O ATOM 881 CB ASP A 59 9.800 -1.444 3.975 1.00 0.00 C ATOM 882 CG ASP A 59 10.894 -2.439 4.311 1.00 0.00 C ATOM 883 OD1 ASP A 59 11.484 -2.326 5.406 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.158 -3.332 3.479 1.00 0.00 O ATOM 0 H ASP A 59 9.398 -1.545 6.515 1.00 0.00 H new ATOM 0 HA ASP A 59 7.670 -1.233 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.659 -1.415 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.113 -0.446 4.283 1.00 0.00 H new ATOM 889 N TRP A 60 8.790 -4.078 5.376 1.00 0.00 N ATOM 890 CA TRP A 60 8.600 -5.524 5.346 1.00 0.00 C ATOM 891 C TRP A 60 7.299 -5.917 6.037 1.00 0.00 C ATOM 892 O TRP A 60 7.044 -7.098 6.278 1.00 0.00 O ATOM 893 CB TRP A 60 9.781 -6.228 6.017 1.00 0.00 C ATOM 894 CG TRP A 60 9.622 -6.373 7.500 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.069 -7.429 8.166 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.018 -5.428 8.500 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.098 -7.198 9.520 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.676 -5.978 9.751 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.629 -4.172 8.461 1.00 0.00 C ATOM 900 CZ2 TRP A 60 9.924 -5.313 10.949 1.00 0.00 C ATOM 901 CZ3 TRP A 60 10.876 -3.514 9.651 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.524 -4.085 10.881 1.00 0.00 C ATOM 0 H TRP A 60 9.417 -3.750 6.111 1.00 0.00 H new ATOM 0 HA TRP A 60 8.544 -5.836 4.303 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.905 -7.216 5.574 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.693 -5.669 5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.668 -8.315 7.697 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.746 -7.832 10.237 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.903 -3.723 7.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.652 -5.751 11.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.348 -2.543 9.632 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.730 -3.545 11.793 1.00 0.00 H new ATOM 913 N LEU A 61 6.479 -4.921 6.353 1.00 0.00 N ATOM 914 CA LEU A 61 5.202 -5.163 7.017 1.00 0.00 C ATOM 915 C LEU A 61 4.036 -4.827 6.093 1.00 0.00 C ATOM 916 O LEU A 61 3.612 -3.675 6.006 1.00 0.00 O ATOM 917 CB LEU A 61 5.107 -4.336 8.300 1.00 0.00 C ATOM 918 CG LEU A 61 6.143 -4.649 9.379 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.066 -3.630 10.506 1.00 0.00 C ATOM 920 CD2 LEU A 61 5.943 -6.058 9.918 1.00 0.00 C ATOM 0 H LEU A 61 6.675 -3.939 6.161 1.00 0.00 H new ATOM 0 HA LEU A 61 5.147 -6.222 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.194 -3.282 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.114 -4.477 8.727 1.00 0.00 H new ATOM 0 HG LEU A 61 7.135 -4.590 8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.811 -3.870 11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.259 -2.633 10.109 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.072 -3.656 10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.690 -6.263 10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.946 -6.144 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.050 -6.777 9.106 1.00 0.00 H new ATOM 932 N GLY A 62 3.519 -5.842 5.407 1.00 0.00 N ATOM 933 CA GLY A 62 2.405 -5.633 4.500 1.00 0.00 C ATOM 934 C GLY A 62 1.309 -4.785 5.114 1.00 0.00 C ATOM 935 O GLY A 62 1.292 -4.560 6.325 1.00 0.00 O ATOM 0 H GLY A 62 3.851 -6.805 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.766 -5.152 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.992 -6.599 4.208 1.00 0.00 H new ATOM 939 N LEU A 63 0.393 -4.310 4.278 1.00 0.00 N ATOM 940 CA LEU A 63 -0.712 -3.479 4.745 1.00 0.00 C ATOM 941 C LEU A 63 -1.568 -4.231 5.758 1.00 0.00 C ATOM 942 O LEU A 63 -1.935 -3.689 6.800 1.00 0.00 O ATOM 943 CB LEU A 63 -1.574 -3.031 3.563 1.00 0.00 C ATOM 944 CG LEU A 63 -1.137 -1.745 2.862 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.177 -1.958 2.126 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.217 -1.266 1.903 1.00 0.00 C ATOM 0 H LEU A 63 0.393 -4.486 3.273 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.292 -2.600 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.591 -3.834 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.597 -2.899 3.915 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.985 -0.975 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.472 -1.032 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.949 -2.253 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.053 -2.743 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.888 -0.349 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.402 -2.033 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.135 -1.072 2.457 1.00 0.00 H new ATOM 958 N GLY A 64 -1.882 -5.485 5.446 1.00 0.00 N ATOM 959 CA GLY A 64 -2.691 -6.292 6.340 1.00 0.00 C ATOM 960 C GLY A 64 -2.025 -6.514 7.683 1.00 0.00 C ATOM 961 O GLY A 64 -2.683 -6.482 8.723 1.00 0.00 O ATOM 0 H GLY A 64 -1.590 -5.956 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.655 -5.806 6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.891 -7.256 5.873 1.00 0.00 H new ATOM 965 N ILE A 65 -0.716 -6.742 7.662 1.00 0.00 N ATOM 966 CA ILE A 65 0.039 -6.972 8.887 1.00 0.00 C ATOM 967 C ILE A 65 -0.470 -6.088 10.020 1.00 0.00 C ATOM 968 O ILE A 65 -0.612 -6.539 11.157 1.00 0.00 O ATOM 969 CB ILE A 65 1.542 -6.707 8.680 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.125 -7.703 7.676 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.282 -6.789 10.007 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.793 -9.145 7.993 1.00 0.00 C ATOM 0 H ILE A 65 -0.156 -6.772 6.810 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.104 -8.019 9.154 1.00 0.00 H new ATOM 0 HB ILE A 65 1.666 -5.701 8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.752 -7.463 6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.208 -7.586 7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.343 -6.599 9.844 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.881 -6.043 10.694 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.152 -7.783 10.435 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.238 -9.795 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.190 -9.402 8.975 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.711 -9.278 7.993 1.00 0.00 H new ATOM 984 N TYR A 66 -0.745 -4.828 9.703 1.00 0.00 N ATOM 985 CA TYR A 66 -1.238 -3.880 10.694 1.00 0.00 C ATOM 986 C TYR A 66 -2.757 -3.958 10.814 1.00 0.00 C ATOM 987 O TYR A 66 -3.312 -3.837 11.906 1.00 0.00 O ATOM 988 CB TYR A 66 -0.818 -2.456 10.323 1.00 0.00 C ATOM 989 CG TYR A 66 0.616 -2.136 10.679 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.006 -1.978 12.003 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.583 -1.994 9.691 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.315 -1.684 12.333 1.00 0.00 C ATOM 993 CE2 TYR A 66 2.895 -1.702 10.011 1.00 0.00 C ATOM 994 CZ TYR A 66 3.255 -1.548 11.333 1.00 0.00 C ATOM 995 OH TYR A 66 4.561 -1.257 11.658 1.00 0.00 O ATOM 0 H TYR A 66 -0.635 -4.439 8.766 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.801 -4.141 11.658 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.958 -2.312 9.252 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.476 -1.749 10.828 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.273 -2.087 12.788 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.304 -2.114 8.655 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.600 -1.561 13.367 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.634 -1.595 9.231 1.00 0.00 H new ATOM 0 HH TYR A 66 4.694 -0.286 11.639 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.424 -4.163 9.683 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.872 -4.255 9.681 1.00 0.00 C ATOM 1007 C GLY A 67 -5.533 -2.995 9.159 1.00 0.00 C ATOM 1008 O GLY A 67 -6.655 -2.668 9.548 1.00 0.00 O ATOM 0 H GLY A 67 -2.987 -4.267 8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.178 -5.103 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.222 -4.452 10.694 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.836 -2.284 8.279 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.362 -1.053 7.704 1.00 0.00 C ATOM 1014 C ILE A 68 -6.654 -1.313 6.935 1.00 0.00 C ATOM 1015 O ILE A 68 -6.756 -2.283 6.185 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.341 -0.390 6.761 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.029 -0.124 7.501 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.906 0.902 6.192 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.848 0.088 6.579 1.00 0.00 C ATOM 0 H ILE A 68 -3.905 -2.540 7.949 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.566 -0.379 8.536 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.138 -1.070 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.149 0.756 8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.817 -0.964 8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.172 1.358 5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.817 0.686 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.135 1.589 7.007 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.952 0.271 7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.702 -0.801 5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.039 0.946 5.935 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.636 -0.438 7.126 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.920 -0.572 6.449 1.00 0.00 C ATOM 1033 C GLN A 69 -9.092 0.509 5.387 1.00 0.00 C ATOM 1034 O GLN A 69 -8.409 1.533 5.414 1.00 0.00 O ATOM 1035 CB GLN A 69 -10.064 -0.496 7.461 1.00 0.00 C ATOM 1036 CG GLN A 69 -10.089 -1.657 8.442 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.289 -2.995 7.757 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -9.382 -3.514 7.106 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -11.482 -3.560 7.900 1.00 0.00 N ATOM 0 H GLN A 69 -7.567 0.371 7.744 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.943 -1.545 5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.983 0.437 8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.012 -0.465 6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.154 -1.676 9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.889 -1.500 9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.205 -3.094 8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.676 -4.460 7.461 1.00 0.00 H new ATOM 1048 N ASP A 70 -10.007 0.273 4.453 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.269 1.227 3.382 1.00 0.00 C ATOM 1050 C ASP A 70 -10.786 2.548 3.944 1.00 0.00 C ATOM 1051 O ASP A 70 -11.400 2.582 5.010 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.281 0.649 2.392 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.700 0.694 2.922 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.881 0.531 4.147 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.631 0.892 2.112 1.00 0.00 O ATOM 0 H ASP A 70 -10.579 -0.570 4.416 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.331 1.417 2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.228 1.206 1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.014 -0.383 2.165 1.00 0.00 H new ATOM 1060 N SER A 71 -10.531 3.633 3.221 1.00 0.00 N ATOM 1061 CA SER A 71 -10.967 4.957 3.650 1.00 0.00 C ATOM 1062 C SER A 71 -10.239 5.383 4.922 1.00 0.00 C ATOM 1063 O SER A 71 -10.774 6.139 5.733 1.00 0.00 O ATOM 1064 CB SER A 71 -12.478 4.969 3.886 1.00 0.00 C ATOM 1065 OG SER A 71 -13.177 4.515 2.740 1.00 0.00 O ATOM 0 H SER A 71 -10.025 3.622 2.336 1.00 0.00 H new ATOM 0 HA SER A 71 -10.725 5.666 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.721 4.335 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.802 5.979 4.137 1.00 0.00 H new ATOM 0 HG SER A 71 -14.141 4.531 2.917 1.00 0.00 H new ATOM 1071 N ASP A 72 -9.016 4.892 5.088 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.212 5.221 6.260 1.00 0.00 C ATOM 1073 C ASP A 72 -7.373 6.470 6.010 1.00 0.00 C ATOM 1074 O ASP A 72 -7.177 6.881 4.866 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.304 4.047 6.628 1.00 0.00 C ATOM 1076 CG ASP A 72 -8.011 3.013 7.481 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -9.258 2.952 7.429 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.319 2.263 8.201 1.00 0.00 O ATOM 0 H ASP A 72 -8.559 4.265 4.426 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.889 5.420 7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.940 3.574 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.431 4.421 7.164 1.00 0.00 H new ATOM 1083 N THR A 73 -6.881 7.072 7.088 1.00 0.00 N ATOM 1084 CA THR A 73 -6.066 8.276 6.987 1.00 0.00 C ATOM 1085 C THR A 73 -4.626 8.001 7.406 1.00 0.00 C ATOM 1086 O THR A 73 -4.377 7.277 8.371 1.00 0.00 O ATOM 1087 CB THR A 73 -6.633 9.414 7.856 1.00 0.00 C ATOM 1088 OG1 THR A 73 -7.985 9.694 7.474 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.790 10.672 7.717 1.00 0.00 C ATOM 0 H THR A 73 -7.033 6.745 8.042 1.00 0.00 H new ATOM 0 HA THR A 73 -6.086 8.584 5.942 1.00 0.00 H new ATOM 0 HB THR A 73 -6.609 9.094 8.898 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.339 10.417 8.032 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.210 11.462 8.340 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.769 10.463 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.786 10.994 6.676 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.681 8.584 6.676 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.264 8.402 6.973 1.00 0.00 C ATOM 1099 C LEU A 74 -1.554 9.748 7.078 1.00 0.00 C ATOM 1100 O LEU A 74 -1.725 10.619 6.225 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.602 7.546 5.892 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.231 6.174 5.643 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.578 5.496 4.450 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.116 5.302 6.884 1.00 0.00 C ATOM 0 H LEU A 74 -3.870 9.186 5.875 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.181 7.892 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.615 8.105 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.556 7.400 6.162 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.288 6.315 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.039 4.521 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.713 6.113 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.513 5.367 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.569 4.330 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.065 5.168 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.632 5.782 7.715 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.755 9.909 8.127 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.016 11.147 8.341 1.00 0.00 C ATOM 1118 C ILE A 75 1.400 11.045 7.784 1.00 0.00 C ATOM 1119 O ILE A 75 2.096 10.053 8.003 1.00 0.00 O ATOM 1120 CB ILE A 75 0.059 11.507 9.837 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.324 11.387 10.481 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.613 12.912 10.016 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.426 12.032 9.671 1.00 0.00 C ATOM 0 H ILE A 75 -0.603 9.198 8.842 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.557 11.932 7.813 1.00 0.00 H new ATOM 0 HB ILE A 75 0.732 10.807 10.332 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.559 10.332 10.624 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.296 11.844 11.470 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.660 13.152 11.078 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.614 12.966 9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.037 13.627 9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.378 11.908 10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.214 13.094 9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.481 11.559 8.691 1.00 0.00 H new ATOM 1135 N LEU A 76 1.822 12.078 7.062 1.00 0.00 N ATOM 1136 CA LEU A 76 3.156 12.107 6.474 1.00 0.00 C ATOM 1137 C LEU A 76 4.043 13.124 7.185 1.00 0.00 C ATOM 1138 O LEU A 76 3.600 14.222 7.520 1.00 0.00 O ATOM 1139 CB LEU A 76 3.071 12.441 4.984 1.00 0.00 C ATOM 1140 CG LEU A 76 4.346 12.212 4.171 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.577 10.726 3.947 1.00 0.00 C ATOM 1142 CD2 LEU A 76 4.269 12.948 2.841 1.00 0.00 C ATOM 0 H LEU A 76 1.259 12.907 6.870 1.00 0.00 H new ATOM 0 HA LEU A 76 3.600 11.119 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.271 11.845 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.782 13.487 4.882 1.00 0.00 H new ATOM 0 HG LEU A 76 5.190 12.609 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.489 10.583 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.677 10.224 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.731 10.304 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.184 12.774 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.415 12.581 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.152 14.016 3.023 1.00 0.00 H new ATOM 1154 N SER A 77 5.299 12.751 7.411 1.00 0.00 N ATOM 1155 CA SER A 77 6.248 13.630 8.084 1.00 0.00 C ATOM 1156 C SER A 77 7.613 13.577 7.404 1.00 0.00 C ATOM 1157 O SER A 77 8.222 12.514 7.288 1.00 0.00 O ATOM 1158 CB SER A 77 6.384 13.237 9.556 1.00 0.00 C ATOM 1159 OG SER A 77 6.932 11.937 9.689 1.00 0.00 O ATOM 0 H SER A 77 5.683 11.846 7.138 1.00 0.00 H new ATOM 0 HA SER A 77 5.869 14.650 8.021 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.020 13.957 10.071 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.407 13.274 10.037 1.00 0.00 H new ATOM 0 HG SER A 77 7.482 11.732 8.904 1.00 0.00 H new ATOM 1165 N LYS A 78 8.088 14.734 6.955 1.00 0.00 N ATOM 1166 CA LYS A 78 9.381 14.824 6.287 1.00 0.00 C ATOM 1167 C LYS A 78 10.521 14.609 7.277 1.00 0.00 C ATOM 1168 O LYS A 78 10.769 15.446 8.145 1.00 0.00 O ATOM 1169 CB LYS A 78 9.533 16.185 5.605 1.00 0.00 C ATOM 1170 CG LYS A 78 10.328 16.133 4.313 1.00 0.00 C ATOM 1171 CD LYS A 78 11.811 16.353 4.561 1.00 0.00 C ATOM 1172 CE LYS A 78 12.542 15.036 4.774 1.00 0.00 C ATOM 1173 NZ LYS A 78 13.975 15.127 4.380 1.00 0.00 N ATOM 0 H LYS A 78 7.596 15.623 7.042 1.00 0.00 H new ATOM 0 HA LYS A 78 9.427 14.040 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.543 16.590 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.020 16.875 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.178 15.167 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.957 16.893 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.248 16.880 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.944 16.990 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.471 14.747 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.055 14.252 4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.535 14.461 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.074 14.888 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.319 16.095 4.541 1.00 0.00 H new ATOM 1187 N LYS A 79 11.212 13.483 7.141 1.00 0.00 N ATOM 1188 CA LYS A 79 12.328 13.158 8.022 1.00 0.00 C ATOM 1189 C LYS A 79 13.248 14.362 8.201 1.00 0.00 C ATOM 1190 O LYS A 79 14.059 14.672 7.329 1.00 0.00 O ATOM 1191 CB LYS A 79 13.122 11.977 7.460 1.00 0.00 C ATOM 1192 CG LYS A 79 12.294 10.715 7.288 1.00 0.00 C ATOM 1193 CD LYS A 79 12.329 9.851 8.537 1.00 0.00 C ATOM 1194 CE LYS A 79 11.819 8.445 8.258 1.00 0.00 C ATOM 1195 NZ LYS A 79 12.901 7.551 7.760 1.00 0.00 N ATOM 0 H LYS A 79 11.019 12.779 6.428 1.00 0.00 H new ATOM 0 HA LYS A 79 11.921 12.884 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.543 12.259 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.960 11.764 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.263 10.984 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.671 10.144 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.349 9.800 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.721 10.311 9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.392 8.026 9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.017 8.489 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.513 6.603 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.291 7.937 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.655 7.488 8.473 1.00 0.00 H new