USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 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 25 GLN : amide:sc= 0 K(o=0.3,f=-0.51) USER MOD Set 1.2: A 85 TYR OH : rot 107:sc= 0.297 USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= -0.154 (180deg=-0.94) USER MOD Single : A 7 ASN :FLIP amide:sc= -3.49! C(o=-4.1!,f=-3.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 28 ASN : amide:sc= -0.355 K(o=-0.36,f=-2.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 169:sc= -1.69 (180deg=-1.79) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -143:sc= -2.23 (180deg=-4.65!) USER MOD Single : A 46 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.87) USER MOD Single : A 48 TYR OH : rot 121:sc= 0.0372 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 15:sc= -0.941 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 76 THR OG1 : rot -85:sc= 1.23 USER MOD Single : A 79 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.3) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.469 -12.313 -10.197 1.00 0.00 N ATOM 31 CA LEU A 3 -10.108 -12.146 -8.794 1.00 0.00 C ATOM 32 C LEU A 3 -10.915 -13.089 -7.909 1.00 0.00 C ATOM 33 O LEU A 3 -12.120 -12.909 -7.728 1.00 0.00 O ATOM 34 CB LEU A 3 -10.335 -10.698 -8.356 1.00 0.00 C ATOM 35 CG LEU A 3 -9.160 -9.753 -8.611 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.630 -8.307 -8.619 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.076 -9.958 -7.564 1.00 0.00 C ATOM 0 HA LEU A 3 -9.051 -12.390 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.212 -10.311 -8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.565 -10.688 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.740 -9.982 -9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.780 -7.649 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.371 -8.170 -9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.076 -8.064 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.247 -9.278 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.484 -9.757 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.719 -10.987 -7.607 1.00 0.00 H new ATOM 49 N LEU A 4 -10.245 -14.096 -7.358 1.00 0.00 N ATOM 50 CA LEU A 4 -10.900 -15.068 -6.490 1.00 0.00 C ATOM 51 C LEU A 4 -11.498 -14.387 -5.264 1.00 0.00 C ATOM 52 O LEU A 4 -11.093 -13.284 -4.894 1.00 0.00 O ATOM 53 CB LEU A 4 -9.905 -16.147 -6.056 1.00 0.00 C ATOM 54 CG LEU A 4 -10.499 -17.547 -5.896 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.443 -18.304 -7.215 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.764 -18.316 -4.808 1.00 0.00 C ATOM 0 H LEU A 4 -9.248 -14.260 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.708 -15.535 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.099 -16.192 -6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.458 -15.848 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.544 -17.447 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.870 -19.298 -7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.013 -17.762 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.406 -18.395 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.200 -19.310 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.711 -18.407 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.854 -17.783 -3.862 1.00 0.00 H new ATOM 68 N LYS A 5 -12.463 -15.051 -4.637 1.00 0.00 N ATOM 69 CA LYS A 5 -13.117 -14.509 -3.451 1.00 0.00 C ATOM 70 C LYS A 5 -12.112 -14.299 -2.324 1.00 0.00 C ATOM 71 O LYS A 5 -12.068 -13.234 -1.708 1.00 0.00 O ATOM 72 CB LYS A 5 -14.233 -15.446 -2.985 1.00 0.00 C ATOM 73 CG LYS A 5 -15.231 -14.785 -2.048 1.00 0.00 C ATOM 74 CD LYS A 5 -16.459 -14.295 -2.797 1.00 0.00 C ATOM 75 CE LYS A 5 -16.176 -13.002 -3.545 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.789 -13.252 -4.962 1.00 0.00 N ATOM 0 H LYS A 5 -12.810 -15.965 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.548 -13.543 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.764 -15.827 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.789 -16.305 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.533 -15.494 -1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.755 -13.946 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.786 -15.060 -3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.277 -14.138 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.061 -12.366 -3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.377 -12.459 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.946 -12.690 -5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.579 -14.262 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.572 -12.978 -5.589 1.00 0.00 H new ATOM 90 N ALA A 6 -11.304 -15.320 -2.059 1.00 0.00 N ATOM 91 CA ALA A 6 -10.299 -15.247 -1.006 1.00 0.00 C ATOM 92 C ALA A 6 -9.165 -14.305 -1.394 1.00 0.00 C ATOM 93 O ALA A 6 -8.692 -13.515 -0.577 1.00 0.00 O ATOM 94 CB ALA A 6 -9.755 -16.634 -0.700 1.00 0.00 C ATOM 0 H ALA A 6 -11.326 -16.208 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.775 -14.849 -0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.005 -16.565 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.569 -17.280 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.300 -17.053 -1.598 1.00 0.00 H new ATOM 100 N ASN A 7 -8.731 -14.394 -2.648 1.00 0.00 N ATOM 101 CA ASN A 7 -7.651 -13.551 -3.145 1.00 0.00 C ATOM 102 C ASN A 7 -8.045 -12.077 -3.096 1.00 0.00 C ATOM 103 O ASN A 7 -7.288 -11.239 -2.608 1.00 0.00 O ATOM 104 CB ASN A 7 -7.285 -13.945 -4.577 1.00 0.00 C ATOM 105 CG ASN A 7 -6.186 -14.989 -4.626 1.00 0.00 C ATOM 106 OD1 ASN A 7 -6.263 -15.971 -3.735 1.00 0.00 O flip ATOM 107 ND2 ASN A 7 -5.280 -14.914 -5.456 1.00 0.00 N flip ATOM 0 H ASN A 7 -9.111 -15.042 -3.338 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.783 -13.699 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.171 -14.330 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.965 -13.058 -5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.261 -14.142 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.548 -15.624 -5.478 1.00 0.00 H new ATOM 114 N LYS A 8 -9.234 -11.771 -3.605 1.00 0.00 N ATOM 115 CA LYS A 8 -9.728 -10.398 -3.619 1.00 0.00 C ATOM 116 C LYS A 8 -9.974 -9.894 -2.201 1.00 0.00 C ATOM 117 O LYS A 8 -9.662 -8.749 -1.876 1.00 0.00 O ATOM 118 CB LYS A 8 -11.017 -10.307 -4.436 1.00 0.00 C ATOM 119 CG LYS A 8 -11.388 -8.886 -4.831 1.00 0.00 C ATOM 120 CD LYS A 8 -12.895 -8.703 -4.898 1.00 0.00 C ATOM 121 CE LYS A 8 -13.285 -7.693 -5.966 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.563 -8.060 -6.636 1.00 0.00 N ATOM 0 H LYS A 8 -9.873 -12.454 -4.013 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.968 -9.769 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.909 -10.910 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.834 -10.740 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.967 -8.185 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.948 -8.650 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.370 -9.661 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.266 -8.371 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.382 -6.706 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.491 -7.626 -6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.794 -7.347 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.463 -8.991 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.326 -8.099 -5.931 1.00 0.00 H new ATOM 136 N ASP A 9 -10.537 -10.756 -1.360 1.00 0.00 N ATOM 137 CA ASP A 9 -10.825 -10.398 0.024 1.00 0.00 C ATOM 138 C ASP A 9 -9.539 -10.095 0.788 1.00 0.00 C ATOM 139 O ASP A 9 -9.533 -9.285 1.715 1.00 0.00 O ATOM 140 CB ASP A 9 -11.589 -11.527 0.716 1.00 0.00 C ATOM 141 CG ASP A 9 -12.199 -11.089 2.033 1.00 0.00 C ATOM 142 OD1 ASP A 9 -11.447 -10.958 3.022 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.429 -10.878 2.076 1.00 0.00 O ATOM 0 H ASP A 9 -10.803 -11.708 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.443 -9.500 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.378 -11.887 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.914 -12.364 0.892 1.00 0.00 H new ATOM 148 N LEU A 10 -8.453 -10.750 0.393 1.00 0.00 N ATOM 149 CA LEU A 10 -7.164 -10.552 1.039 1.00 0.00 C ATOM 150 C LEU A 10 -6.619 -9.156 0.750 1.00 0.00 C ATOM 151 O LEU A 10 -6.135 -8.469 1.649 1.00 0.00 O ATOM 152 CB LEU A 10 -6.170 -11.615 0.565 1.00 0.00 C ATOM 153 CG LEU A 10 -5.769 -12.644 1.622 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.733 -13.607 1.064 1.00 0.00 C ATOM 155 CD2 LEU A 10 -5.239 -11.949 2.867 1.00 0.00 C ATOM 0 H LEU A 10 -8.441 -11.423 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.302 -10.648 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.602 -12.141 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.270 -11.115 0.207 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.654 -13.217 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.460 -14.332 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.149 -14.129 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.847 -13.051 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.958 -12.696 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.366 -11.351 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.013 -11.301 3.279 1.00 0.00 H new ATOM 167 N ILE A 11 -6.702 -8.744 -0.512 1.00 0.00 N ATOM 168 CA ILE A 11 -6.219 -7.432 -0.919 1.00 0.00 C ATOM 169 C ILE A 11 -7.118 -6.324 -0.381 1.00 0.00 C ATOM 170 O ILE A 11 -6.645 -5.239 -0.038 1.00 0.00 O ATOM 171 CB ILE A 11 -6.139 -7.313 -2.454 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.382 -8.505 -3.042 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.468 -6.005 -2.851 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.262 -8.463 -4.549 1.00 0.00 C ATOM 0 H ILE A 11 -7.099 -9.301 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.219 -7.320 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.152 -7.316 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.383 -8.540 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.889 -9.425 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.419 -5.936 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.045 -5.167 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.459 -5.974 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.714 -9.339 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.257 -8.459 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.728 -7.560 -4.846 1.00 0.00 H new ATOM 186 N SER A 12 -8.415 -6.602 -0.310 1.00 0.00 N ATOM 187 CA SER A 12 -9.381 -5.628 0.185 1.00 0.00 C ATOM 188 C SER A 12 -9.026 -5.179 1.599 1.00 0.00 C ATOM 189 O SER A 12 -9.101 -3.993 1.921 1.00 0.00 O ATOM 190 CB SER A 12 -10.792 -6.221 0.165 1.00 0.00 C ATOM 191 OG SER A 12 -11.449 -5.931 -1.056 1.00 0.00 O ATOM 0 H SER A 12 -8.822 -7.495 -0.589 1.00 0.00 H new ATOM 0 HA SER A 12 -9.350 -4.758 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.738 -7.301 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.370 -5.820 0.997 1.00 0.00 H new ATOM 0 HG SER A 12 -12.348 -6.322 -1.045 1.00 0.00 H new ATOM 197 N ALA A 13 -8.637 -6.133 2.438 1.00 0.00 N ATOM 198 CA ALA A 13 -8.267 -5.832 3.816 1.00 0.00 C ATOM 199 C ALA A 13 -7.090 -4.864 3.865 1.00 0.00 C ATOM 200 O ALA A 13 -7.111 -3.883 4.609 1.00 0.00 O ATOM 201 CB ALA A 13 -7.931 -7.114 4.564 1.00 0.00 C ATOM 0 H ALA A 13 -8.570 -7.120 2.188 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.118 -5.355 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.657 -6.875 5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.799 -7.773 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.096 -7.614 4.073 1.00 0.00 H new ATOM 207 N GLY A 14 -6.068 -5.147 3.065 1.00 0.00 N ATOM 208 CA GLY A 14 -4.896 -4.291 3.029 1.00 0.00 C ATOM 209 C GLY A 14 -5.190 -2.933 2.422 1.00 0.00 C ATOM 210 O GLY A 14 -4.615 -1.924 2.831 1.00 0.00 O ATOM 0 H GLY A 14 -6.030 -5.953 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.515 -4.158 4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.110 -4.780 2.454 1.00 0.00 H new ATOM 214 N LEU A 15 -6.087 -2.907 1.441 1.00 0.00 N ATOM 215 CA LEU A 15 -6.457 -1.662 0.774 1.00 0.00 C ATOM 216 C LEU A 15 -6.990 -0.643 1.778 1.00 0.00 C ATOM 217 O LEU A 15 -6.600 0.524 1.757 1.00 0.00 O ATOM 218 CB LEU A 15 -7.506 -1.933 -0.308 1.00 0.00 C ATOM 219 CG LEU A 15 -7.132 -1.439 -1.708 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.237 -1.766 -2.701 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.855 0.055 -1.688 1.00 0.00 C ATOM 0 H LEU A 15 -6.571 -3.733 1.090 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.563 -1.248 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.690 -3.006 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.443 -1.462 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.224 -1.952 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.954 -1.408 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.388 -2.845 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.162 -1.280 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.591 0.389 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.746 0.586 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.030 0.263 -1.007 1.00 0.00 H new ATOM 233 N LYS A 16 -7.883 -1.092 2.653 1.00 0.00 N ATOM 234 CA LYS A 16 -8.469 -0.220 3.663 1.00 0.00 C ATOM 235 C LYS A 16 -7.427 0.191 4.698 1.00 0.00 C ATOM 236 O LYS A 16 -7.488 1.288 5.254 1.00 0.00 O ATOM 237 CB LYS A 16 -9.643 -0.919 4.353 1.00 0.00 C ATOM 238 CG LYS A 16 -9.261 -2.229 5.023 1.00 0.00 C ATOM 239 CD LYS A 16 -10.224 -2.580 6.146 1.00 0.00 C ATOM 240 CE LYS A 16 -9.769 -1.993 7.473 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.275 -2.779 8.631 1.00 0.00 N ATOM 0 H LYS A 16 -8.217 -2.055 2.683 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.833 0.678 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.066 -0.248 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.424 -1.111 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.255 -3.030 4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.249 -2.155 5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.219 -2.207 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.303 -3.664 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.680 -1.964 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.118 -0.963 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.943 -2.346 9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.315 -2.786 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.922 -3.755 8.569 1.00 0.00 H new ATOM 255 N GLU A 17 -6.472 -0.697 4.953 1.00 0.00 N ATOM 256 CA GLU A 17 -5.415 -0.426 5.921 1.00 0.00 C ATOM 257 C GLU A 17 -4.599 0.794 5.508 1.00 0.00 C ATOM 258 O GLU A 17 -4.228 1.618 6.346 1.00 0.00 O ATOM 259 CB GLU A 17 -4.499 -1.644 6.062 1.00 0.00 C ATOM 260 CG GLU A 17 -3.929 -1.817 7.460 1.00 0.00 C ATOM 261 CD GLU A 17 -2.785 -2.810 7.503 1.00 0.00 C ATOM 262 OE1 GLU A 17 -1.650 -2.426 7.148 1.00 0.00 O ATOM 263 OE2 GLU A 17 -3.022 -3.973 7.892 1.00 0.00 O ATOM 0 H GLU A 17 -6.408 -1.610 4.503 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.882 -0.219 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.057 -2.541 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.677 -1.554 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.582 -0.852 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.720 -2.150 8.132 1.00 0.00 H new ATOM 270 N PHE A 18 -4.321 0.904 4.213 1.00 0.00 N ATOM 271 CA PHE A 18 -3.547 2.024 3.690 1.00 0.00 C ATOM 272 C PHE A 18 -4.373 3.306 3.696 1.00 0.00 C ATOM 273 O PHE A 18 -3.880 4.373 4.062 1.00 0.00 O ATOM 274 CB PHE A 18 -3.067 1.719 2.270 1.00 0.00 C ATOM 275 CG PHE A 18 -1.735 2.331 1.943 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.565 1.780 2.439 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.653 3.457 1.140 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.662 2.340 2.140 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.429 4.021 0.836 1.00 0.00 C ATOM 280 CZ PHE A 18 0.731 3.462 1.338 1.00 0.00 C ATOM 0 H PHE A 18 -4.620 0.232 3.507 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.681 2.169 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.003 0.639 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.809 2.082 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.612 0.902 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.557 3.899 0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.567 1.901 2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.379 4.897 0.207 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.689 3.902 1.104 1.00 0.00 H new ATOM 290 N SER A 19 -5.634 3.194 3.289 1.00 0.00 N ATOM 291 CA SER A 19 -6.529 4.344 3.248 1.00 0.00 C ATOM 292 C SER A 19 -6.703 4.949 4.637 1.00 0.00 C ATOM 293 O SER A 19 -6.541 6.155 4.824 1.00 0.00 O ATOM 294 CB SER A 19 -7.891 3.938 2.682 1.00 0.00 C ATOM 295 OG SER A 19 -8.444 4.973 1.888 1.00 0.00 O ATOM 0 H SER A 19 -6.058 2.318 2.983 1.00 0.00 H new ATOM 0 HA SER A 19 -6.082 5.096 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.784 3.034 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.571 3.700 3.500 1.00 0.00 H new ATOM 0 HG SER A 19 -9.313 4.687 1.537 1.00 0.00 H new ATOM 301 N VAL A 20 -7.033 4.105 5.608 1.00 0.00 N ATOM 302 CA VAL A 20 -7.229 4.556 6.980 1.00 0.00 C ATOM 303 C VAL A 20 -5.933 5.103 7.566 1.00 0.00 C ATOM 304 O VAL A 20 -5.916 6.168 8.184 1.00 0.00 O ATOM 305 CB VAL A 20 -7.756 3.416 7.876 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.686 2.358 8.110 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.268 3.968 9.197 1.00 0.00 C ATOM 0 H VAL A 20 -7.170 3.104 5.470 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.972 5.353 6.952 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.587 2.938 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.088 1.568 8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.378 1.934 7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.825 2.813 8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.636 3.149 9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.457 4.479 9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.079 4.672 9.008 1.00 0.00 H new ATOM 317 N LEU A 21 -4.850 4.364 7.365 1.00 0.00 N ATOM 318 CA LEU A 21 -3.541 4.766 7.870 1.00 0.00 C ATOM 319 C LEU A 21 -3.134 6.124 7.307 1.00 0.00 C ATOM 320 O LEU A 21 -2.600 6.969 8.024 1.00 0.00 O ATOM 321 CB LEU A 21 -2.488 3.716 7.512 1.00 0.00 C ATOM 322 CG LEU A 21 -1.062 4.052 7.952 1.00 0.00 C ATOM 323 CD1 LEU A 21 -0.824 3.596 9.384 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.052 3.414 7.012 1.00 0.00 C ATOM 0 H LEU A 21 -4.851 3.481 6.855 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.608 4.848 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.776 2.766 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.494 3.571 6.432 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.934 5.134 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.196 3.843 9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.527 4.100 10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.970 2.518 9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.957 3.663 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.180 2.332 7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.208 3.789 6.001 1.00 0.00 H new ATOM 336 N LEU A 22 -3.389 6.325 6.019 1.00 0.00 N ATOM 337 CA LEU A 22 -3.048 7.580 5.358 1.00 0.00 C ATOM 338 C LEU A 22 -3.833 8.741 5.959 1.00 0.00 C ATOM 339 O LEU A 22 -3.333 9.862 6.048 1.00 0.00 O ATOM 340 CB LEU A 22 -3.328 7.483 3.857 1.00 0.00 C ATOM 341 CG LEU A 22 -2.359 6.595 3.074 1.00 0.00 C ATOM 342 CD1 LEU A 22 -2.994 6.131 1.773 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.058 7.336 2.801 1.00 0.00 C ATOM 0 H LEU A 22 -3.831 5.635 5.411 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.985 7.765 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.340 7.104 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.301 8.486 3.432 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.133 5.716 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.290 5.501 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.897 5.562 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.250 6.998 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.381 6.689 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.266 8.233 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.594 7.617 3.746 1.00 0.00 H new ATOM 355 N ASN A 23 -5.066 8.464 6.372 1.00 0.00 N ATOM 356 CA ASN A 23 -5.920 9.486 6.966 1.00 0.00 C ATOM 357 C ASN A 23 -5.421 9.875 8.354 1.00 0.00 C ATOM 358 O ASN A 23 -5.604 11.010 8.795 1.00 0.00 O ATOM 359 CB ASN A 23 -7.364 8.987 7.052 1.00 0.00 C ATOM 360 CG ASN A 23 -8.373 10.083 6.775 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.846 10.239 5.650 1.00 0.00 O ATOM 362 ND2 ASN A 23 -8.708 10.852 7.806 1.00 0.00 N ATOM 0 H ASN A 23 -5.495 7.541 6.306 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.885 10.368 6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.508 8.176 6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.544 8.574 8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.382 11.607 7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.291 10.687 8.722 1.00 0.00 H new ATOM 369 N GLN A 24 -4.788 8.927 9.039 1.00 0.00 N ATOM 370 CA GLN A 24 -4.263 9.172 10.377 1.00 0.00 C ATOM 371 C GLN A 24 -3.198 10.263 10.353 1.00 0.00 C ATOM 372 O GLN A 24 -3.029 11.000 11.324 1.00 0.00 O ATOM 373 CB GLN A 24 -3.678 7.884 10.960 1.00 0.00 C ATOM 374 CG GLN A 24 -4.725 6.952 11.547 1.00 0.00 C ATOM 375 CD GLN A 24 -4.113 5.753 12.245 1.00 0.00 C ATOM 376 OE1 GLN A 24 -4.140 4.637 11.726 1.00 0.00 O ATOM 377 NE2 GLN A 24 -3.555 5.978 13.428 1.00 0.00 N ATOM 0 H GLN A 24 -4.627 7.983 8.689 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.086 9.508 11.008 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.131 7.357 10.178 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.956 8.141 11.736 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.342 7.505 12.256 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.385 6.607 10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.555 6.919 13.821 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.126 5.210 13.944 1.00 0.00 H new ATOM 386 N GLN A 25 -2.481 10.361 9.238 1.00 0.00 N ATOM 387 CA GLN A 25 -1.433 11.363 9.089 1.00 0.00 C ATOM 388 C GLN A 25 -2.000 12.771 9.240 1.00 0.00 C ATOM 389 O GLN A 25 -3.211 12.976 9.160 1.00 0.00 O ATOM 390 CB GLN A 25 -0.750 11.220 7.728 1.00 0.00 C ATOM 391 CG GLN A 25 -0.081 9.871 7.522 1.00 0.00 C ATOM 392 CD GLN A 25 1.426 9.937 7.677 1.00 0.00 C ATOM 393 OE1 GLN A 25 2.128 10.471 6.818 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.931 9.393 8.777 1.00 0.00 N ATOM 0 H GLN A 25 -2.607 9.758 8.425 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.697 11.201 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.489 11.373 6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.003 12.007 7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.485 9.156 8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.324 9.497 6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.312 8.961 9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.938 9.407 8.937 1.00 0.00 H new ATOM 403 N VAL A 26 -1.116 13.740 9.461 1.00 0.00 N ATOM 404 CA VAL A 26 -1.529 15.128 9.623 1.00 0.00 C ATOM 405 C VAL A 26 -0.794 16.038 8.645 1.00 0.00 C ATOM 406 O VAL A 26 -1.417 16.736 7.845 1.00 0.00 O ATOM 407 CB VAL A 26 -1.274 15.626 11.059 1.00 0.00 C ATOM 408 CG1 VAL A 26 -1.890 17.002 11.265 1.00 0.00 C ATOM 409 CG2 VAL A 26 -1.819 14.632 12.073 1.00 0.00 C ATOM 0 H VAL A 26 -0.110 13.588 9.532 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.599 15.165 9.417 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.198 15.710 11.209 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.700 17.337 12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.447 17.708 10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.965 16.948 11.096 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.630 15.000 13.081 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.892 14.513 11.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.326 13.669 11.940 1.00 0.00 H new ATOM 419 N PHE A 27 0.537 16.024 8.716 1.00 0.00 N ATOM 420 CA PHE A 27 1.373 16.846 7.840 1.00 0.00 C ATOM 421 C PHE A 27 0.818 18.262 7.706 1.00 0.00 C ATOM 422 O PHE A 27 -0.017 18.534 6.844 1.00 0.00 O ATOM 423 CB PHE A 27 1.502 16.200 6.457 1.00 0.00 C ATOM 424 CG PHE A 27 0.198 15.718 5.885 1.00 0.00 C ATOM 425 CD1 PHE A 27 -0.270 14.445 6.169 1.00 0.00 C ATOM 426 CD2 PHE A 27 -0.557 16.538 5.061 1.00 0.00 C ATOM 427 CE1 PHE A 27 -1.468 14.000 5.643 1.00 0.00 C ATOM 428 CE2 PHE A 27 -1.755 16.097 4.533 1.00 0.00 C ATOM 429 CZ PHE A 27 -2.211 14.826 4.824 1.00 0.00 C ATOM 0 H PHE A 27 1.062 15.449 9.375 1.00 0.00 H new ATOM 0 HA PHE A 27 2.361 16.911 8.295 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.944 16.921 5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.192 15.358 6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.308 13.794 6.808 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.205 17.532 4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.823 13.006 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.335 16.746 3.893 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.147 14.479 4.412 1.00 0.00 H new ATOM 439 N ASN A 28 1.290 19.160 8.564 1.00 0.00 N ATOM 440 CA ASN A 28 0.842 20.548 8.542 1.00 0.00 C ATOM 441 C ASN A 28 1.851 21.434 7.816 1.00 0.00 C ATOM 442 O ASN A 28 1.487 22.214 6.937 1.00 0.00 O ATOM 443 CB ASN A 28 0.630 21.060 9.968 1.00 0.00 C ATOM 444 CG ASN A 28 1.811 20.765 10.870 1.00 0.00 C ATOM 445 OD1 ASN A 28 2.044 19.618 11.252 1.00 0.00 O ATOM 446 ND2 ASN A 28 2.565 21.802 11.217 1.00 0.00 N ATOM 0 H ASN A 28 1.983 18.952 9.283 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.105 20.590 8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.456 22.136 9.943 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.266 20.602 10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.374 21.664 11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.335 22.736 10.877 1.00 0.00 H new ATOM 453 N ASP A 29 3.120 21.304 8.190 1.00 0.00 N ATOM 454 CA ASP A 29 4.182 22.092 7.575 1.00 0.00 C ATOM 455 C ASP A 29 5.429 21.269 7.394 1.00 0.00 C ATOM 456 O ASP A 29 5.457 20.089 7.744 1.00 0.00 O ATOM 457 CB ASP A 29 4.470 23.347 8.404 1.00 0.00 C ATOM 458 CG ASP A 29 4.174 24.624 7.640 1.00 0.00 C ATOM 459 OD1 ASP A 29 3.270 24.605 6.780 1.00 0.00 O ATOM 460 OD2 ASP A 29 4.847 25.642 7.905 1.00 0.00 O ATOM 0 H ASP A 29 3.438 20.661 8.915 1.00 0.00 H new ATOM 0 HA ASP A 29 3.844 22.406 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.870 23.324 9.314 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.516 23.344 8.711 1.00 0.00 H new ATOM 465 N PRO A 30 6.479 21.861 6.804 1.00 0.00 N ATOM 466 CA PRO A 30 7.698 21.126 6.553 1.00 0.00 C ATOM 467 C PRO A 30 8.140 20.351 7.776 1.00 0.00 C ATOM 468 O PRO A 30 8.386 20.908 8.847 1.00 0.00 O ATOM 469 CB PRO A 30 8.705 22.223 6.211 1.00 0.00 C ATOM 470 CG PRO A 30 7.881 23.313 5.615 1.00 0.00 C ATOM 471 CD PRO A 30 6.543 23.249 6.304 1.00 0.00 C ATOM 0 HA PRO A 30 7.586 20.382 5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.235 22.566 7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.458 21.866 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.351 24.285 5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.772 23.176 4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.475 23.972 7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.726 23.466 5.616 1.00 0.00 H new ATOM 479 N LEU A 31 8.232 19.054 7.585 1.00 0.00 N ATOM 480 CA LEU A 31 8.642 18.139 8.643 1.00 0.00 C ATOM 481 C LEU A 31 9.693 17.157 8.136 1.00 0.00 C ATOM 482 O LEU A 31 10.703 16.917 8.797 1.00 0.00 O ATOM 483 CB LEU A 31 7.430 17.375 9.183 1.00 0.00 C ATOM 484 CG LEU A 31 7.404 17.190 10.701 1.00 0.00 C ATOM 485 CD1 LEU A 31 8.514 16.248 11.141 1.00 0.00 C ATOM 486 CD2 LEU A 31 7.532 18.533 11.402 1.00 0.00 C ATOM 0 H LEU A 31 8.027 18.598 6.696 1.00 0.00 H new ATOM 0 HA LEU A 31 9.080 18.727 9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.524 17.901 8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.400 16.392 8.712 1.00 0.00 H new ATOM 0 HG LEU A 31 6.448 16.747 10.980 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.481 16.128 12.224 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.378 15.278 10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.479 16.663 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.512 18.383 12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.474 19.003 11.118 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.703 19.177 11.109 1.00 0.00 H new ATOM 498 N VAL A 32 9.447 16.590 6.959 1.00 0.00 N ATOM 499 CA VAL A 32 10.372 15.633 6.364 1.00 0.00 C ATOM 500 C VAL A 32 10.624 15.954 4.895 1.00 0.00 C ATOM 501 O VAL A 32 9.793 16.576 4.233 1.00 0.00 O ATOM 502 CB VAL A 32 9.842 14.191 6.478 1.00 0.00 C ATOM 503 CG1 VAL A 32 10.906 13.195 6.047 1.00 0.00 C ATOM 504 CG2 VAL A 32 9.377 13.905 7.898 1.00 0.00 C ATOM 0 H VAL A 32 8.615 16.777 6.399 1.00 0.00 H new ATOM 0 HA VAL A 32 11.307 15.712 6.918 1.00 0.00 H new ATOM 0 HB VAL A 32 8.987 14.084 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.513 12.182 6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.186 13.387 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.783 13.300 6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.006 12.882 7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.213 14.030 8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.579 14.597 8.166 1.00 0.00 H new ATOM 514 N SER A 33 11.777 15.526 4.390 1.00 0.00 N ATOM 515 CA SER A 33 12.138 15.767 2.998 1.00 0.00 C ATOM 516 C SER A 33 11.255 14.953 2.058 1.00 0.00 C ATOM 517 O SER A 33 10.776 13.877 2.416 1.00 0.00 O ATOM 518 CB SER A 33 13.609 15.420 2.763 1.00 0.00 C ATOM 519 OG SER A 33 14.055 15.906 1.509 1.00 0.00 O ATOM 0 H SER A 33 12.477 15.011 4.924 1.00 0.00 H new ATOM 0 HA SER A 33 11.984 16.825 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.218 15.848 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.742 14.339 2.805 1.00 0.00 H new ATOM 0 HG SER A 33 14.999 15.672 1.384 1.00 0.00 H new ATOM 525 N GLU A 34 11.044 15.474 0.853 1.00 0.00 N ATOM 526 CA GLU A 34 10.218 14.795 -0.139 1.00 0.00 C ATOM 527 C GLU A 34 10.869 13.491 -0.588 1.00 0.00 C ATOM 528 O GLU A 34 10.183 12.519 -0.901 1.00 0.00 O ATOM 529 CB GLU A 34 9.984 15.704 -1.346 1.00 0.00 C ATOM 530 CG GLU A 34 11.250 16.364 -1.866 1.00 0.00 C ATOM 531 CD GLU A 34 11.387 17.804 -1.413 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.345 18.470 -1.234 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.533 18.266 -1.239 1.00 0.00 O ATOM 0 H GLU A 34 11.433 16.363 0.540 1.00 0.00 H new ATOM 0 HA GLU A 34 9.258 14.561 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.533 15.120 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.267 16.478 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.117 15.797 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.252 16.328 -2.955 1.00 0.00 H new ATOM 540 N GLU A 35 12.197 13.479 -0.618 1.00 0.00 N ATOM 541 CA GLU A 35 12.942 12.294 -1.029 1.00 0.00 C ATOM 542 C GLU A 35 12.917 11.230 0.063 1.00 0.00 C ATOM 543 O GLU A 35 12.782 10.039 -0.219 1.00 0.00 O ATOM 544 CB GLU A 35 14.388 12.665 -1.363 1.00 0.00 C ATOM 545 CG GLU A 35 15.018 11.768 -2.416 1.00 0.00 C ATOM 546 CD GLU A 35 16.503 12.025 -2.587 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.900 13.208 -2.623 1.00 0.00 O ATOM 548 OE2 GLU A 35 17.267 11.043 -2.686 1.00 0.00 O ATOM 0 H GLU A 35 12.780 14.276 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 35 12.464 11.886 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.418 13.697 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.986 12.618 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.863 10.725 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.514 11.924 -3.370 1.00 0.00 H new ATOM 555 N ASP A 36 13.048 11.667 1.312 1.00 0.00 N ATOM 556 CA ASP A 36 13.040 10.752 2.447 1.00 0.00 C ATOM 557 C ASP A 36 11.675 10.103 2.619 1.00 0.00 C ATOM 558 O ASP A 36 11.559 8.999 3.152 1.00 0.00 O ATOM 559 CB ASP A 36 13.438 11.487 3.729 1.00 0.00 C ATOM 560 CG ASP A 36 13.901 10.540 4.818 1.00 0.00 C ATOM 561 OD1 ASP A 36 15.100 10.185 4.825 1.00 0.00 O ATOM 562 OD2 ASP A 36 13.068 10.152 5.663 1.00 0.00 O ATOM 0 H ASP A 36 13.161 12.649 1.563 1.00 0.00 H new ATOM 0 HA ASP A 36 13.769 9.966 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.235 12.196 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.588 12.066 4.092 1.00 0.00 H new ATOM 567 N MET A 37 10.649 10.797 2.162 1.00 0.00 N ATOM 568 CA MET A 37 9.281 10.302 2.255 1.00 0.00 C ATOM 569 C MET A 37 9.043 9.168 1.264 1.00 0.00 C ATOM 570 O MET A 37 8.259 8.256 1.524 1.00 0.00 O ATOM 571 CB MET A 37 8.286 11.437 1.998 1.00 0.00 C ATOM 572 CG MET A 37 6.878 11.134 2.484 1.00 0.00 C ATOM 573 SD MET A 37 6.700 11.341 4.267 1.00 0.00 S ATOM 574 CE MET A 37 6.997 13.100 4.434 1.00 0.00 C ATOM 0 H MET A 37 10.735 11.712 1.719 1.00 0.00 H new ATOM 0 HA MET A 37 9.130 9.916 3.263 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.644 12.341 2.490 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.255 11.647 0.929 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.173 11.790 1.974 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.616 10.111 2.213 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.732 13.420 5.442 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.051 13.310 4.252 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.389 13.642 3.710 1.00 0.00 H new ATOM 584 N VAL A 38 9.727 9.232 0.126 1.00 0.00 N ATOM 585 CA VAL A 38 9.592 8.210 -0.905 1.00 0.00 C ATOM 586 C VAL A 38 10.041 6.847 -0.389 1.00 0.00 C ATOM 587 O VAL A 38 9.352 5.844 -0.575 1.00 0.00 O ATOM 588 CB VAL A 38 10.409 8.567 -2.162 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.138 7.571 -3.279 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.099 9.986 -2.617 1.00 0.00 C ATOM 0 H VAL A 38 10.380 9.981 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 38 8.536 8.165 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 38 11.468 8.514 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.724 7.841 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.417 6.570 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.078 7.587 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.685 10.219 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.038 10.070 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.352 10.687 -1.821 1.00 0.00 H new ATOM 600 N THR A 39 11.201 6.818 0.258 1.00 0.00 N ATOM 601 CA THR A 39 11.742 5.577 0.801 1.00 0.00 C ATOM 602 C THR A 39 10.814 4.996 1.863 1.00 0.00 C ATOM 603 O THR A 39 10.734 3.780 2.034 1.00 0.00 O ATOM 604 CB THR A 39 13.129 5.818 1.397 1.00 0.00 C ATOM 605 OG1 THR A 39 13.672 4.614 1.910 1.00 0.00 O ATOM 606 CG2 THR A 39 13.132 6.836 2.517 1.00 0.00 C ATOM 0 H THR A 39 11.785 7.639 0.419 1.00 0.00 H new ATOM 0 HA THR A 39 11.824 4.859 -0.015 1.00 0.00 H new ATOM 0 HB THR A 39 13.732 6.204 0.575 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.560 4.789 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.147 6.959 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.767 7.792 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.484 6.492 3.323 1.00 0.00 H new ATOM 614 N VAL A 40 10.113 5.874 2.575 1.00 0.00 N ATOM 615 CA VAL A 40 9.190 5.449 3.619 1.00 0.00 C ATOM 616 C VAL A 40 8.010 4.685 3.030 1.00 0.00 C ATOM 617 O VAL A 40 7.673 3.592 3.486 1.00 0.00 O ATOM 618 CB VAL A 40 8.660 6.649 4.426 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.826 6.175 5.607 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.810 7.529 4.897 1.00 0.00 C ATOM 0 H VAL A 40 10.168 6.884 2.447 1.00 0.00 H new ATOM 0 HA VAL A 40 9.749 4.793 4.286 1.00 0.00 H new ATOM 0 HB VAL A 40 8.020 7.244 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.461 7.038 6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.979 5.593 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.440 5.554 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.415 8.371 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.479 6.946 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.361 7.901 4.033 1.00 0.00 H new ATOM 630 N VAL A 41 7.383 5.267 2.012 1.00 0.00 N ATOM 631 CA VAL A 41 6.239 4.641 1.360 1.00 0.00 C ATOM 632 C VAL A 41 6.650 3.362 0.639 1.00 0.00 C ATOM 633 O VAL A 41 5.870 2.415 0.540 1.00 0.00 O ATOM 634 CB VAL A 41 5.576 5.595 0.349 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.274 5.004 -0.169 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.338 6.960 0.978 1.00 0.00 C ATOM 0 H VAL A 41 7.648 6.171 1.621 1.00 0.00 H new ATOM 0 HA VAL A 41 5.522 4.400 2.144 1.00 0.00 H new ATOM 0 HB VAL A 41 6.251 5.724 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.820 5.692 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.477 4.053 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.591 4.843 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.869 7.620 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.684 6.853 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.290 7.386 1.293 1.00 0.00 H new ATOM 646 N GLU A 42 7.881 3.341 0.139 1.00 0.00 N ATOM 647 CA GLU A 42 8.397 2.178 -0.572 1.00 0.00 C ATOM 648 C GLU A 42 8.661 1.024 0.390 1.00 0.00 C ATOM 649 O GLU A 42 8.349 -0.129 0.094 1.00 0.00 O ATOM 650 CB GLU A 42 9.683 2.538 -1.319 1.00 0.00 C ATOM 651 CG GLU A 42 9.441 3.254 -2.637 1.00 0.00 C ATOM 652 CD GLU A 42 9.067 2.303 -3.757 1.00 0.00 C ATOM 653 OE1 GLU A 42 8.334 1.328 -3.487 1.00 0.00 O ATOM 654 OE2 GLU A 42 9.508 2.532 -4.903 1.00 0.00 O ATOM 0 H GLU A 42 8.540 4.116 0.213 1.00 0.00 H new ATOM 0 HA GLU A 42 7.643 1.862 -1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.300 3.170 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.250 1.627 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.645 3.987 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.339 3.805 -2.917 1.00 0.00 H new ATOM 661 N ASP A 43 9.238 1.344 1.545 1.00 0.00 N ATOM 662 CA ASP A 43 9.543 0.334 2.552 1.00 0.00 C ATOM 663 C ASP A 43 8.301 -0.021 3.364 1.00 0.00 C ATOM 664 O ASP A 43 8.173 -1.139 3.861 1.00 0.00 O ATOM 665 CB ASP A 43 10.650 0.832 3.483 1.00 0.00 C ATOM 666 CG ASP A 43 11.509 -0.297 4.016 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.020 -1.060 4.874 1.00 0.00 O ATOM 668 OD2 ASP A 43 12.672 -0.418 3.576 1.00 0.00 O ATOM 0 H ASP A 43 9.503 2.294 1.806 1.00 0.00 H new ATOM 0 HA ASP A 43 9.885 -0.564 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.280 1.542 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.203 1.370 4.319 1.00 0.00 H new ATOM 673 N TRP A 44 7.392 0.940 3.496 1.00 0.00 N ATOM 674 CA TRP A 44 6.161 0.729 4.250 1.00 0.00 C ATOM 675 C TRP A 44 5.352 -0.427 3.667 1.00 0.00 C ATOM 676 O TRP A 44 4.929 -1.328 4.391 1.00 0.00 O ATOM 677 CB TRP A 44 5.317 2.006 4.256 1.00 0.00 C ATOM 678 CG TRP A 44 5.463 2.812 5.511 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.493 2.756 6.406 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.549 3.793 6.011 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.274 3.643 7.432 1.00 0.00 N ATOM 682 CE2 TRP A 44 5.088 4.293 7.212 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.326 4.299 5.560 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.446 5.271 7.967 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.690 5.271 6.310 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.251 5.749 7.500 1.00 0.00 C ATOM 0 H TRP A 44 7.484 1.872 3.091 1.00 0.00 H new ATOM 0 HA TRP A 44 6.433 0.475 5.275 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.599 2.623 3.403 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.268 1.740 4.124 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.354 2.109 6.320 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.894 3.793 8.228 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.886 3.937 4.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.875 5.639 8.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.744 5.668 5.972 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.730 6.511 8.061 1.00 0.00 H new ATOM 697 N MET A 45 5.141 -0.395 2.356 1.00 0.00 N ATOM 698 CA MET A 45 4.382 -1.440 1.679 1.00 0.00 C ATOM 699 C MET A 45 5.109 -2.779 1.759 1.00 0.00 C ATOM 700 O MET A 45 4.478 -3.835 1.827 1.00 0.00 O ATOM 701 CB MET A 45 4.144 -1.062 0.216 1.00 0.00 C ATOM 702 CG MET A 45 5.417 -0.991 -0.611 1.00 0.00 C ATOM 703 SD MET A 45 5.444 0.425 -1.729 1.00 0.00 S ATOM 704 CE MET A 45 3.785 0.359 -2.400 1.00 0.00 C ATOM 0 H MET A 45 5.485 0.343 1.741 1.00 0.00 H new ATOM 0 HA MET A 45 3.420 -1.538 2.182 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.469 -1.791 -0.233 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.641 -0.096 0.177 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.277 -0.938 0.057 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.520 -1.908 -1.191 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.807 0.642 -3.452 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.394 -0.654 -2.305 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.143 1.049 -1.852 1.00 0.00 H new ATOM 714 N ASN A 46 6.437 -2.729 1.753 1.00 0.00 N ATOM 715 CA ASN A 46 7.248 -3.938 1.827 1.00 0.00 C ATOM 716 C ASN A 46 6.965 -4.707 3.113 1.00 0.00 C ATOM 717 O ASN A 46 7.022 -5.936 3.139 1.00 0.00 O ATOM 718 CB ASN A 46 8.734 -3.586 1.746 1.00 0.00 C ATOM 719 CG ASN A 46 9.529 -4.609 0.959 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.090 -5.744 0.772 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.707 -4.213 0.492 1.00 0.00 N ATOM 0 H ASN A 46 6.974 -1.864 1.698 1.00 0.00 H new ATOM 0 HA ASN A 46 6.985 -4.573 0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.848 -2.606 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.142 -3.510 2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.286 -4.859 -0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.033 -3.263 0.670 1.00 0.00 H new ATOM 728 N PHE A 47 6.658 -3.975 4.179 1.00 0.00 N ATOM 729 CA PHE A 47 6.365 -4.587 5.469 1.00 0.00 C ATOM 730 C PHE A 47 4.995 -5.257 5.455 1.00 0.00 C ATOM 731 O PHE A 47 4.832 -6.368 5.960 1.00 0.00 O ATOM 732 CB PHE A 47 6.419 -3.536 6.579 1.00 0.00 C ATOM 733 CG PHE A 47 6.864 -4.086 7.905 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.211 -4.156 8.223 1.00 0.00 C ATOM 735 CD2 PHE A 47 5.935 -4.534 8.831 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.624 -4.662 9.442 1.00 0.00 C ATOM 737 CE2 PHE A 47 6.342 -5.041 10.050 1.00 0.00 C ATOM 738 CZ PHE A 47 7.688 -5.105 10.356 1.00 0.00 C ATOM 0 H PHE A 47 6.606 -2.956 4.174 1.00 0.00 H new ATOM 0 HA PHE A 47 7.120 -5.349 5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.098 -2.738 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.432 -3.089 6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.946 -3.812 7.511 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.882 -4.486 8.597 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.677 -4.711 9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.609 -5.387 10.763 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.008 -5.501 11.309 1.00 0.00 H new ATOM 748 N TYR A 48 4.013 -4.577 4.873 1.00 0.00 N ATOM 749 CA TYR A 48 2.658 -5.107 4.794 1.00 0.00 C ATOM 750 C TYR A 48 2.610 -6.352 3.913 1.00 0.00 C ATOM 751 O TYR A 48 1.959 -7.340 4.252 1.00 0.00 O ATOM 752 CB TYR A 48 1.702 -4.045 4.247 1.00 0.00 C ATOM 753 CG TYR A 48 1.891 -2.679 4.870 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.137 -2.543 6.231 1.00 0.00 C ATOM 755 CD2 TYR A 48 1.823 -1.527 4.097 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.310 -1.297 6.803 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.996 -0.278 4.663 1.00 0.00 C ATOM 758 CZ TYR A 48 2.238 -0.168 6.016 1.00 0.00 C ATOM 759 OH TYR A 48 2.410 1.074 6.582 1.00 0.00 O ATOM 0 H TYR A 48 4.131 -3.657 4.449 1.00 0.00 H new ATOM 0 HA TYR A 48 2.345 -5.384 5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.840 -3.965 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.676 -4.372 4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.194 -3.425 6.852 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.632 -1.609 3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.501 -1.208 7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.942 0.608 4.048 1.00 0.00 H new ATOM 0 HH TYR A 48 3.166 1.527 6.153 1.00 0.00 H new ATOM 769 N ILE A 49 3.306 -6.298 2.782 1.00 0.00 N ATOM 770 CA ILE A 49 3.344 -7.423 1.855 1.00 0.00 C ATOM 771 C ILE A 49 4.009 -8.636 2.495 1.00 0.00 C ATOM 772 O ILE A 49 3.641 -9.777 2.217 1.00 0.00 O ATOM 773 CB ILE A 49 4.095 -7.060 0.559 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.533 -5.769 -0.041 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.003 -8.198 -0.449 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.584 -4.900 -0.698 1.00 0.00 C ATOM 0 H ILE A 49 3.851 -5.488 2.486 1.00 0.00 H new ATOM 0 HA ILE A 49 2.311 -7.666 1.608 1.00 0.00 H new ATOM 0 HB ILE A 49 5.145 -6.900 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.770 -6.022 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.040 -5.197 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.539 -7.924 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.447 -9.098 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.957 -8.388 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.114 -4.003 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.335 -4.616 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.061 -5.454 -1.506 1.00 0.00 H new ATOM 788 N ASN A 50 4.991 -8.382 3.353 1.00 0.00 N ATOM 789 CA ASN A 50 5.708 -9.455 4.033 1.00 0.00 C ATOM 790 C ASN A 50 4.814 -10.137 5.063 1.00 0.00 C ATOM 791 O ASN A 50 4.946 -11.334 5.318 1.00 0.00 O ATOM 792 CB ASN A 50 6.964 -8.906 4.714 1.00 0.00 C ATOM 793 CG ASN A 50 8.120 -9.885 4.668 1.00 0.00 C ATOM 794 OD1 ASN A 50 7.935 -11.091 4.836 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.323 -9.371 4.441 1.00 0.00 N ATOM 0 H ASN A 50 5.309 -7.443 3.594 1.00 0.00 H new ATOM 0 HA ASN A 50 6.001 -10.193 3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.260 -7.976 4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.736 -8.666 5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.139 -9.982 4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.431 -8.366 4.307 1.00 0.00 H new ATOM 802 N TYR A 51 3.904 -9.368 5.652 1.00 0.00 N ATOM 803 CA TYR A 51 2.988 -9.899 6.654 1.00 0.00 C ATOM 804 C TYR A 51 1.898 -10.745 6.003 1.00 0.00 C ATOM 805 O TYR A 51 1.644 -11.874 6.419 1.00 0.00 O ATOM 806 CB TYR A 51 2.354 -8.758 7.452 1.00 0.00 C ATOM 807 CG TYR A 51 2.069 -9.113 8.894 1.00 0.00 C ATOM 808 CD1 TYR A 51 0.861 -9.691 9.262 1.00 0.00 C ATOM 809 CD2 TYR A 51 3.008 -8.869 9.888 1.00 0.00 C ATOM 810 CE1 TYR A 51 0.596 -10.016 10.579 1.00 0.00 C ATOM 811 CE2 TYR A 51 2.752 -9.191 11.208 1.00 0.00 C ATOM 812 CZ TYR A 51 1.544 -9.765 11.547 1.00 0.00 C ATOM 813 OH TYR A 51 1.285 -10.088 12.859 1.00 0.00 O ATOM 0 H TYR A 51 3.782 -8.375 5.453 1.00 0.00 H new ATOM 0 HA TYR A 51 3.560 -10.534 7.331 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.017 -7.894 7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.423 -8.461 6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.116 -9.890 8.506 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.954 -8.420 9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.349 -10.464 10.848 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.493 -8.994 11.969 1.00 0.00 H new ATOM 0 HH TYR A 51 2.056 -9.847 13.414 1.00 0.00 H new ATOM 823 N TYR A 52 1.259 -10.190 4.977 1.00 0.00 N ATOM 824 CA TYR A 52 0.198 -10.895 4.267 1.00 0.00 C ATOM 825 C TYR A 52 0.716 -12.197 3.667 1.00 0.00 C ATOM 826 O TYR A 52 0.063 -13.236 3.753 1.00 0.00 O ATOM 827 CB TYR A 52 -0.383 -10.007 3.164 1.00 0.00 C ATOM 828 CG TYR A 52 -1.384 -8.993 3.668 1.00 0.00 C ATOM 829 CD1 TYR A 52 -1.114 -8.218 4.789 1.00 0.00 C ATOM 830 CD2 TYR A 52 -2.601 -8.810 3.022 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.026 -7.289 5.251 1.00 0.00 C ATOM 832 CE2 TYR A 52 -3.518 -7.883 3.478 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.228 -7.126 4.593 1.00 0.00 C ATOM 834 OH TYR A 52 -4.139 -6.202 5.051 1.00 0.00 O ATOM 0 H TYR A 52 1.458 -9.256 4.620 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.588 -11.134 4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.432 -9.483 2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.863 -10.638 2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.175 -8.344 5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.833 -9.402 2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.799 -6.693 6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.458 -7.752 2.963 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.700 -5.594 5.682 1.00 0.00 H new ATOM 844 N ARG A 53 1.898 -12.133 3.061 1.00 0.00 N ATOM 845 CA ARG A 53 2.507 -13.308 2.448 1.00 0.00 C ATOM 846 C ARG A 53 2.709 -14.421 3.474 1.00 0.00 C ATOM 847 O ARG A 53 2.829 -15.593 3.116 1.00 0.00 O ATOM 848 CB ARG A 53 3.847 -12.939 1.810 1.00 0.00 C ATOM 849 CG ARG A 53 4.202 -13.792 0.603 1.00 0.00 C ATOM 850 CD ARG A 53 5.039 -13.017 -0.401 1.00 0.00 C ATOM 851 NE ARG A 53 6.044 -13.861 -1.043 1.00 0.00 N ATOM 852 CZ ARG A 53 5.758 -14.813 -1.928 1.00 0.00 C ATOM 853 NH1 ARG A 53 4.499 -15.045 -2.279 1.00 0.00 N ATOM 854 NH2 ARG A 53 6.732 -15.535 -2.464 1.00 0.00 N ATOM 0 H ARG A 53 2.452 -11.281 2.982 1.00 0.00 H new ATOM 0 HA ARG A 53 1.830 -13.672 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.820 -11.892 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.635 -13.036 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.750 -14.676 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.288 -14.143 0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.387 -12.587 -1.162 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.532 -12.186 0.103 1.00 0.00 H new ATOM 0 HE ARG A 53 7.023 -13.712 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.745 -14.492 -1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.285 -15.776 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.701 -15.361 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.512 -16.264 -3.142 1.00 0.00 H new ATOM 868 N GLN A 54 2.747 -14.048 4.751 1.00 0.00 N ATOM 869 CA GLN A 54 2.935 -15.020 5.824 1.00 0.00 C ATOM 870 C GLN A 54 1.602 -15.624 6.267 1.00 0.00 C ATOM 871 O GLN A 54 1.557 -16.424 7.201 1.00 0.00 O ATOM 872 CB GLN A 54 3.628 -14.360 7.017 1.00 0.00 C ATOM 873 CG GLN A 54 5.144 -14.349 6.909 1.00 0.00 C ATOM 874 CD GLN A 54 5.826 -14.490 8.255 1.00 0.00 C ATOM 875 OE1 GLN A 54 5.936 -15.591 8.797 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.289 -13.373 8.805 1.00 0.00 N ATOM 0 H GLN A 54 2.650 -13.083 5.067 1.00 0.00 H new ATOM 0 HA GLN A 54 3.562 -15.825 5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.271 -13.334 7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.341 -14.883 7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.464 -15.162 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.464 -13.419 6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.177 -12.482 8.322 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.757 -13.406 9.711 1.00 0.00 H new ATOM 885 N GLN A 55 0.518 -15.239 5.596 1.00 0.00 N ATOM 886 CA GLN A 55 -0.807 -15.751 5.930 1.00 0.00 C ATOM 887 C GLN A 55 -1.665 -15.894 4.676 1.00 0.00 C ATOM 888 O GLN A 55 -2.824 -15.478 4.652 1.00 0.00 O ATOM 889 CB GLN A 55 -1.495 -14.822 6.933 1.00 0.00 C ATOM 890 CG GLN A 55 -2.768 -15.404 7.526 1.00 0.00 C ATOM 891 CD GLN A 55 -2.565 -15.937 8.931 1.00 0.00 C ATOM 892 OE1 GLN A 55 -1.878 -16.938 9.135 1.00 0.00 O ATOM 893 NE2 GLN A 55 -3.165 -15.269 9.909 1.00 0.00 N ATOM 0 H GLN A 55 0.532 -14.576 4.821 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.689 -16.736 6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.799 -14.593 7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.732 -13.879 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.542 -14.636 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.129 -16.208 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.725 -14.444 9.694 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.066 -15.581 10.875 1.00 0.00 H new ATOM 902 N VAL A 56 -1.086 -16.483 3.635 1.00 0.00 N ATOM 903 CA VAL A 56 -1.797 -16.681 2.375 1.00 0.00 C ATOM 904 C VAL A 56 -2.401 -18.080 2.305 1.00 0.00 C ATOM 905 O VAL A 56 -2.179 -18.907 3.188 1.00 0.00 O ATOM 906 CB VAL A 56 -0.874 -16.473 1.154 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.636 -15.811 0.016 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.353 -15.650 1.526 1.00 0.00 C ATOM 0 H VAL A 56 -0.127 -16.832 3.638 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.591 -15.935 2.344 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.532 -17.453 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.970 -15.672 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.474 -16.444 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.011 -14.842 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.984 -15.520 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.038 -14.674 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.916 -16.167 2.303 1.00 0.00 H new ATOM 918 N THR A 57 -3.157 -18.339 1.241 1.00 0.00 N ATOM 919 CA THR A 57 -3.788 -19.630 1.042 1.00 0.00 C ATOM 920 C THR A 57 -4.309 -19.748 -0.381 1.00 0.00 C ATOM 921 O THR A 57 -4.767 -18.773 -0.976 1.00 0.00 O ATOM 922 CB THR A 57 -4.937 -19.839 2.026 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.678 -18.644 2.197 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.483 -20.299 3.395 1.00 0.00 C ATOM 0 H THR A 57 -3.345 -17.663 0.501 1.00 0.00 H new ATOM 0 HA THR A 57 -3.036 -20.399 1.218 1.00 0.00 H new ATOM 0 HB THR A 57 -5.551 -20.624 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.410 -18.801 2.830 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.351 -20.427 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.955 -21.248 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.816 -19.553 3.827 1.00 0.00 H new ATOM 932 N GLY A 58 -4.227 -20.951 -0.916 1.00 0.00 N ATOM 933 CA GLY A 58 -4.681 -21.203 -2.267 1.00 0.00 C ATOM 934 C GLY A 58 -3.702 -22.046 -3.051 1.00 0.00 C ATOM 935 O GLY A 58 -3.268 -23.103 -2.593 1.00 0.00 O ATOM 0 H GLY A 58 -3.850 -21.768 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.647 -21.706 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.833 -20.254 -2.780 1.00 0.00 H new ATOM 939 N GLU A 59 -3.353 -21.569 -4.232 1.00 0.00 N ATOM 940 CA GLU A 59 -2.411 -22.269 -5.098 1.00 0.00 C ATOM 941 C GLU A 59 -1.165 -21.419 -5.332 1.00 0.00 C ATOM 942 O GLU A 59 -1.181 -20.208 -5.114 1.00 0.00 O ATOM 943 CB GLU A 59 -3.069 -22.613 -6.437 1.00 0.00 C ATOM 944 CG GLU A 59 -4.503 -23.101 -6.305 1.00 0.00 C ATOM 945 CD GLU A 59 -4.833 -24.210 -7.284 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.289 -25.323 -7.126 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.638 -23.967 -8.208 1.00 0.00 O ATOM 0 H GLU A 59 -3.708 -20.695 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.116 -23.194 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.052 -21.731 -7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.478 -23.381 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.670 -23.457 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.184 -22.265 -6.466 1.00 0.00 H new ATOM 954 N PRO A 60 -0.062 -22.043 -5.781 1.00 0.00 N ATOM 955 CA PRO A 60 1.194 -21.335 -6.041 1.00 0.00 C ATOM 956 C PRO A 60 0.992 -20.079 -6.883 1.00 0.00 C ATOM 957 O PRO A 60 1.419 -18.989 -6.502 1.00 0.00 O ATOM 958 CB PRO A 60 2.025 -22.365 -6.807 1.00 0.00 C ATOM 959 CG PRO A 60 1.513 -23.683 -6.340 1.00 0.00 C ATOM 960 CD PRO A 60 0.046 -23.487 -6.069 1.00 0.00 C ATOM 0 HA PRO A 60 1.663 -20.985 -5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.903 -22.251 -7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.088 -22.254 -6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.671 -24.453 -7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.036 -24.008 -5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.562 -23.771 -6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.290 -24.091 -5.226 1.00 0.00 H new ATOM 968 N GLN A 61 0.340 -20.239 -8.030 1.00 0.00 N ATOM 969 CA GLN A 61 0.084 -19.118 -8.926 1.00 0.00 C ATOM 970 C GLN A 61 -1.034 -18.227 -8.392 1.00 0.00 C ATOM 971 O GLN A 61 -1.035 -17.017 -8.616 1.00 0.00 O ATOM 972 CB GLN A 61 -0.279 -19.627 -10.322 1.00 0.00 C ATOM 973 CG GLN A 61 -1.502 -20.529 -10.344 1.00 0.00 C ATOM 974 CD GLN A 61 -1.363 -21.677 -11.322 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.117 -22.818 -10.928 1.00 0.00 O ATOM 976 NE2 GLN A 61 -1.521 -21.383 -12.608 1.00 0.00 N ATOM 0 H GLN A 61 -0.021 -21.134 -8.361 1.00 0.00 H new ATOM 0 HA GLN A 61 0.996 -18.524 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.456 -18.773 -10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.571 -20.172 -10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.673 -20.928 -9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.380 -19.938 -10.606 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.724 -20.424 -12.891 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.439 -22.116 -13.313 1.00 0.00 H new ATOM 985 N GLU A 62 -1.984 -18.830 -7.685 1.00 0.00 N ATOM 986 CA GLU A 62 -3.104 -18.082 -7.125 1.00 0.00 C ATOM 987 C GLU A 62 -2.618 -17.086 -6.079 1.00 0.00 C ATOM 988 O GLU A 62 -2.946 -15.900 -6.139 1.00 0.00 O ATOM 989 CB GLU A 62 -4.127 -19.039 -6.508 1.00 0.00 C ATOM 990 CG GLU A 62 -5.358 -19.253 -7.374 1.00 0.00 C ATOM 991 CD GLU A 62 -6.625 -19.413 -6.557 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.835 -20.507 -5.994 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.408 -18.443 -6.481 1.00 0.00 O ATOM 0 H GLU A 62 -2.001 -19.830 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.583 -17.528 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.649 -20.001 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.438 -18.650 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.472 -18.407 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.214 -20.140 -7.991 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.831 -17.572 -5.125 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.298 -16.723 -4.073 1.00 0.00 C ATOM 1002 C ARG A 63 -0.438 -15.612 -4.664 1.00 0.00 C ATOM 1003 O ARG A 63 -0.425 -14.488 -4.161 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.479 -17.560 -3.090 1.00 0.00 C ATOM 1005 CG ARG A 63 0.784 -18.151 -3.695 1.00 0.00 C ATOM 1006 CD ARG A 63 1.690 -18.744 -2.626 1.00 0.00 C ATOM 1007 NE ARG A 63 0.958 -19.615 -1.710 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.492 -20.154 -0.615 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.758 -19.914 -0.298 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.756 -20.935 0.165 1.00 0.00 N ATOM 0 H ARG A 63 -1.550 -18.550 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.131 -16.265 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.206 -16.939 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.102 -18.369 -2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.516 -18.923 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.323 -17.377 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.491 -19.310 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.161 -17.939 -2.062 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.018 -19.822 -1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.328 -19.314 -0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.161 -20.330 0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.218 -21.122 -0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.164 -21.348 1.004 1.00 0.00 H new ATOM 1024 N ASP A 64 0.275 -15.933 -5.739 1.00 0.00 N ATOM 1025 CA ASP A 64 1.135 -14.962 -6.405 1.00 0.00 C ATOM 1026 C ASP A 64 0.302 -13.919 -7.144 1.00 0.00 C ATOM 1027 O ASP A 64 0.674 -12.747 -7.211 1.00 0.00 O ATOM 1028 CB ASP A 64 2.072 -15.670 -7.385 1.00 0.00 C ATOM 1029 CG ASP A 64 3.440 -15.018 -7.448 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.249 -15.246 -6.524 1.00 0.00 O ATOM 1031 OD2 ASP A 64 3.703 -14.282 -8.421 1.00 0.00 O ATOM 0 H ASP A 64 0.274 -16.859 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 64 1.730 -14.456 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.183 -16.713 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.624 -15.667 -8.379 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.824 -14.355 -7.699 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.709 -13.461 -8.436 1.00 0.00 C ATOM 1038 C LYS A 65 -2.263 -12.366 -7.530 1.00 0.00 C ATOM 1039 O LYS A 65 -2.315 -11.197 -7.914 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.860 -14.252 -9.061 1.00 0.00 C ATOM 1041 CG LYS A 65 -3.264 -13.755 -10.439 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.447 -12.804 -10.363 1.00 0.00 C ATOM 1043 CE LYS A 65 -4.001 -11.352 -10.436 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.057 -10.823 -11.826 1.00 0.00 N ATOM 0 H LYS A 65 -1.145 -15.322 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.127 -12.989 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.572 -15.301 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.724 -14.203 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.419 -13.250 -10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.519 -14.604 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.138 -13.015 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.991 -12.972 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.636 -10.745 -9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.983 -11.265 -10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.745 -9.831 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.432 -11.386 -12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.033 -10.882 -12.181 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.677 -12.750 -6.328 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.228 -11.800 -5.370 1.00 0.00 C ATOM 1060 C ALA A 66 -2.132 -10.925 -4.773 1.00 0.00 C ATOM 1061 O ALA A 66 -2.368 -9.768 -4.424 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.978 -12.535 -4.269 1.00 0.00 C ATOM 0 H ALA A 66 -2.641 -13.713 -5.994 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.926 -11.152 -5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.384 -11.813 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.793 -13.112 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.295 -13.208 -3.750 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.934 -11.486 -4.655 1.00 0.00 N ATOM 1069 CA LEU A 67 0.199 -10.758 -4.097 1.00 0.00 C ATOM 1070 C LEU A 67 0.754 -9.753 -5.101 1.00 0.00 C ATOM 1071 O LEU A 67 1.222 -8.679 -4.725 1.00 0.00 O ATOM 1072 CB LEU A 67 1.294 -11.735 -3.669 1.00 0.00 C ATOM 1073 CG LEU A 67 1.781 -11.572 -2.228 1.00 0.00 C ATOM 1074 CD1 LEU A 67 2.215 -10.136 -1.970 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.690 -11.989 -1.251 1.00 0.00 C ATOM 0 H LEU A 67 -0.722 -12.443 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.149 -10.207 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.923 -12.752 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.146 -11.619 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 67 2.644 -12.220 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.558 -10.039 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.026 -9.873 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.372 -9.466 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.051 -11.868 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.191 -11.365 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.428 -13.033 -1.422 1.00 0.00 H new ATOM 1087 N GLN A 68 0.700 -10.111 -6.379 1.00 0.00 N ATOM 1088 CA GLN A 68 1.199 -9.242 -7.439 1.00 0.00 C ATOM 1089 C GLN A 68 0.308 -8.015 -7.606 1.00 0.00 C ATOM 1090 O GLN A 68 0.789 -6.925 -7.917 1.00 0.00 O ATOM 1091 CB GLN A 68 1.282 -10.010 -8.760 1.00 0.00 C ATOM 1092 CG GLN A 68 2.520 -10.883 -8.878 1.00 0.00 C ATOM 1093 CD GLN A 68 2.740 -11.396 -10.288 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.905 -11.196 -11.170 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.868 -12.062 -10.505 1.00 0.00 N ATOM 0 H GLN A 68 0.316 -10.997 -6.706 1.00 0.00 H new ATOM 0 HA GLN A 68 2.197 -8.906 -7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.395 -10.635 -8.864 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.269 -9.299 -9.586 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.394 -10.313 -8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.429 -11.730 -8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.531 -12.204 -9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.071 -12.432 -11.434 1.00 0.00 H new ATOM 1104 N GLU A 69 -0.992 -8.198 -7.400 1.00 0.00 N ATOM 1105 CA GLU A 69 -1.947 -7.104 -7.531 1.00 0.00 C ATOM 1106 C GLU A 69 -1.856 -6.157 -6.345 1.00 0.00 C ATOM 1107 O GLU A 69 -2.108 -4.959 -6.473 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.372 -7.645 -7.668 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.421 -6.560 -7.844 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.829 -6.372 -9.292 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -4.992 -7.389 -9.999 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.987 -5.209 -9.719 1.00 0.00 O ATOM 0 H GLU A 69 -1.408 -9.093 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.697 -6.547 -8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.414 -8.321 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.615 -8.233 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.301 -6.812 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.033 -5.619 -7.455 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.480 -6.696 -5.193 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.339 -5.891 -3.988 1.00 0.00 C ATOM 1121 C LEU A 70 -0.453 -4.680 -4.266 1.00 0.00 C ATOM 1122 O LEU A 70 -0.603 -3.629 -3.642 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.746 -6.729 -2.853 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.375 -6.495 -1.479 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.342 -7.772 -0.652 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.659 -5.367 -0.751 1.00 0.00 C ATOM 0 H LEU A 70 -1.268 -7.686 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.326 -5.543 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.849 -7.784 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.322 -6.520 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.416 -6.206 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.794 -7.586 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.900 -8.554 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.309 -8.092 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.119 -5.214 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.391 -5.628 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.735 -4.450 -1.336 1.00 0.00 H new ATOM 1138 N ARG A 71 0.471 -4.841 -5.210 1.00 0.00 N ATOM 1139 CA ARG A 71 1.386 -3.767 -5.576 1.00 0.00 C ATOM 1140 C ARG A 71 0.646 -2.636 -6.284 1.00 0.00 C ATOM 1141 O ARG A 71 0.887 -1.460 -6.017 1.00 0.00 O ATOM 1142 CB ARG A 71 2.501 -4.303 -6.476 1.00 0.00 C ATOM 1143 CG ARG A 71 3.732 -3.412 -6.515 1.00 0.00 C ATOM 1144 CD ARG A 71 4.415 -3.465 -7.872 1.00 0.00 C ATOM 1145 NE ARG A 71 5.869 -3.401 -7.755 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.548 -2.276 -7.538 1.00 0.00 C ATOM 1147 NH1 ARG A 71 5.907 -1.120 -7.413 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.870 -2.308 -7.444 1.00 0.00 N ATOM 0 H ARG A 71 0.605 -5.706 -5.735 1.00 0.00 H new ATOM 0 HA ARG A 71 1.825 -3.372 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.791 -5.295 -6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.115 -4.420 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.446 -2.384 -6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.433 -3.724 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.133 -4.385 -8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.064 -2.637 -8.487 1.00 0.00 H new ATOM 0 HE ARG A 71 6.396 -4.270 -7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.890 -1.091 -7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.432 -0.261 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.367 -3.194 -7.538 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.390 -1.447 -7.278 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.257 -3.002 -7.188 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.031 -2.018 -7.937 1.00 0.00 C ATOM 1164 C GLN A 72 -1.864 -1.151 -6.999 1.00 0.00 C ATOM 1165 O GLN A 72 -1.999 0.054 -7.208 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.943 -2.718 -8.946 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.221 -3.734 -9.816 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.666 -3.683 -11.265 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -2.529 -4.453 -11.689 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -1.079 -2.773 -12.033 1.00 0.00 N ATOM 0 H GLN A 72 -0.471 -3.972 -7.420 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.333 -1.375 -8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.748 -3.219 -8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.406 -1.967 -9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.147 -3.554 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.396 -4.735 -9.421 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.369 -2.155 -11.640 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.338 -2.691 -13.016 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.420 -1.771 -5.964 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.240 -1.054 -4.994 1.00 0.00 C ATOM 1181 C GLU A 73 -2.403 -0.046 -4.214 1.00 0.00 C ATOM 1182 O GLU A 73 -2.747 1.133 -4.136 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.903 -2.039 -4.030 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.652 -3.163 -4.727 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.122 -2.847 -4.927 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.442 -1.681 -5.240 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -6.953 -3.767 -4.771 1.00 0.00 O ATOM 0 H GLU A 73 -2.318 -2.768 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.014 -0.512 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.140 -2.470 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.596 -1.495 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.191 -3.357 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.557 -4.077 -4.140 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.303 -0.517 -3.637 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.416 0.343 -2.862 1.00 0.00 C ATOM 1196 C LEU A 74 0.306 1.337 -3.765 1.00 0.00 C ATOM 1197 O LEU A 74 0.570 2.472 -3.369 1.00 0.00 O ATOM 1198 CB LEU A 74 0.603 -0.500 -2.094 1.00 0.00 C ATOM 1199 CG LEU A 74 0.038 -1.266 -0.895 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.012 -2.342 -0.441 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.272 -0.309 0.246 1.00 0.00 C ATOM 0 H LEU A 74 -1.004 -1.491 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.024 0.902 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.053 -1.215 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.403 0.153 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.889 -1.751 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.593 -2.876 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.186 -3.043 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.956 -1.880 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.673 -0.868 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.641 0.203 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.007 0.425 -0.084 1.00 0.00 H new ATOM 1213 N ASN A 75 0.627 0.902 -4.980 1.00 0.00 N ATOM 1214 CA ASN A 75 1.321 1.755 -5.938 1.00 0.00 C ATOM 1215 C ASN A 75 0.510 3.012 -6.239 1.00 0.00 C ATOM 1216 O ASN A 75 1.026 4.127 -6.172 1.00 0.00 O ATOM 1217 CB ASN A 75 1.593 0.987 -7.234 1.00 0.00 C ATOM 1218 CG ASN A 75 2.383 1.806 -8.236 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.164 2.681 -7.864 1.00 0.00 O ATOM 1220 ND2 ASN A 75 2.183 1.524 -9.519 1.00 0.00 N ATOM 0 H ASN A 75 0.418 -0.035 -5.324 1.00 0.00 H new ATOM 0 HA ASN A 75 2.270 2.056 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.141 0.073 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.645 0.687 -7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.687 2.041 -10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.526 0.790 -9.783 1.00 0.00 H new ATOM 1227 N THR A 76 -0.764 2.823 -6.570 1.00 0.00 N ATOM 1228 CA THR A 76 -1.646 3.937 -6.881 1.00 0.00 C ATOM 1229 C THR A 76 -2.014 4.716 -5.629 1.00 0.00 C ATOM 1230 O THR A 76 -2.135 5.938 -5.666 1.00 0.00 O ATOM 1231 CB THR A 76 -2.916 3.456 -7.556 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.313 2.194 -7.049 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.793 3.334 -9.060 1.00 0.00 C ATOM 0 H THR A 76 -1.207 1.906 -6.629 1.00 0.00 H new ATOM 0 HA THR A 76 -1.102 4.592 -7.562 1.00 0.00 H new ATOM 0 HB THR A 76 -3.661 4.220 -7.334 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.844 1.484 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.739 2.985 -9.475 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.547 4.307 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.005 2.622 -9.304 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.207 4.008 -4.520 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.574 4.654 -3.266 1.00 0.00 C ATOM 1243 C LEU A 77 -1.625 5.813 -2.987 1.00 0.00 C ATOM 1244 O LEU A 77 -2.000 6.808 -2.367 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.533 3.650 -2.112 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.840 2.897 -1.862 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.567 1.565 -1.181 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.789 3.742 -1.024 1.00 0.00 C ATOM 0 H LEU A 77 -2.116 2.994 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.591 5.036 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.745 2.923 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.256 4.179 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.313 2.699 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.509 1.043 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.925 0.956 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.072 1.739 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.714 3.191 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.323 3.970 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.010 4.671 -1.550 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.399 5.678 -3.476 1.00 0.00 N ATOM 1261 CA ALA A 78 0.609 6.710 -3.319 1.00 0.00 C ATOM 1262 C ALA A 78 0.296 7.924 -4.194 1.00 0.00 C ATOM 1263 O ALA A 78 0.684 9.046 -3.868 1.00 0.00 O ATOM 1264 CB ALA A 78 1.986 6.157 -3.653 1.00 0.00 C ATOM 0 H ALA A 78 -0.080 4.856 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 78 0.602 7.034 -2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.733 6.942 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.218 5.329 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.996 5.804 -4.684 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.394 7.698 -5.319 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.730 8.784 -6.237 1.00 0.00 C ATOM 1272 C ASN A 79 -1.372 9.971 -5.512 1.00 0.00 C ATOM 1273 O ASN A 79 -0.893 11.100 -5.623 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.667 8.277 -7.335 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.965 7.357 -8.315 1.00 0.00 C ATOM 1276 OD1 ASN A 79 0.259 7.226 -8.293 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -1.739 6.715 -9.182 1.00 0.00 N ATOM 0 H ASN A 79 -0.727 6.779 -5.611 1.00 0.00 H new ATOM 0 HA ASN A 79 0.202 9.132 -6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.503 7.747 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.084 9.128 -7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.323 6.083 -9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.749 6.854 -9.164 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.462 9.740 -4.757 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.148 10.809 -4.022 1.00 0.00 C ATOM 1286 C PRO A 80 -2.289 11.385 -2.902 1.00 0.00 C ATOM 1287 O PRO A 80 -2.200 12.602 -2.738 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.385 10.115 -3.444 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.019 8.673 -3.388 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.114 8.433 -4.564 1.00 0.00 C ATOM 0 HA PRO A 80 -3.383 11.656 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.629 10.500 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.260 10.277 -4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.515 8.434 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.906 8.042 -3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.388 7.647 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.674 8.128 -5.448 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.660 10.503 -2.133 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.807 10.924 -1.027 1.00 0.00 C ATOM 1300 C PHE A 81 0.348 11.786 -1.525 1.00 0.00 C ATOM 1301 O PHE A 81 0.594 12.873 -1.003 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.265 9.703 -0.280 1.00 0.00 C ATOM 1303 CG PHE A 81 -0.068 9.937 1.191 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -1.053 10.557 1.944 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.100 9.537 1.819 1.00 0.00 C ATOM 1306 CE1 PHE A 81 -0.874 10.773 3.298 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.284 9.751 3.172 1.00 0.00 C ATOM 1308 CZ PHE A 81 0.295 10.369 3.912 1.00 0.00 C ATOM 0 H PHE A 81 -1.725 9.492 -2.255 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.411 11.521 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.952 8.868 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.686 9.409 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.969 10.874 1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.876 9.052 1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.648 11.257 3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.200 9.435 3.650 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.436 10.536 4.970 1.00 0.00 H new ATOM 1318 N LEU A 82 1.054 11.292 -2.536 1.00 0.00 N ATOM 1319 CA LEU A 82 2.185 12.017 -3.104 1.00 0.00 C ATOM 1320 C LEU A 82 1.719 13.285 -3.812 1.00 0.00 C ATOM 1321 O LEU A 82 2.380 14.321 -3.750 1.00 0.00 O ATOM 1322 CB LEU A 82 2.951 11.125 -4.084 1.00 0.00 C ATOM 1323 CG LEU A 82 4.017 10.231 -3.447 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.605 9.283 -4.480 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.111 11.079 -2.814 1.00 0.00 C ATOM 0 H LEU A 82 0.863 10.393 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 82 2.848 12.301 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.236 10.493 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.429 11.759 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 82 3.547 9.635 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.361 8.655 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.814 8.654 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.062 9.859 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.862 10.429 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.579 11.699 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.677 11.717 -2.044 1.00 0.00 H new ATOM 1337 N ALA A 83 0.576 13.194 -4.485 1.00 0.00 N ATOM 1338 CA ALA A 83 0.021 14.334 -5.204 1.00 0.00 C ATOM 1339 C ALA A 83 -0.303 15.480 -4.252 1.00 0.00 C ATOM 1340 O ALA A 83 -0.144 16.651 -4.596 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.224 13.917 -5.972 1.00 0.00 C ATOM 0 H ALA A 83 0.017 12.343 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 83 0.772 14.686 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.628 14.778 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.966 13.136 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.971 13.538 -5.275 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.756 15.134 -3.051 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.102 16.134 -2.047 1.00 0.00 C ATOM 1349 C LYS A 84 0.152 16.759 -1.447 1.00 0.00 C ATOM 1350 O LYS A 84 0.245 17.978 -1.308 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.952 15.504 -0.943 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.443 15.525 -1.235 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.262 15.457 0.044 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.488 16.354 -0.033 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.584 15.729 -0.822 1.00 0.00 N ATOM 0 H LYS A 84 -0.892 14.169 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.678 16.920 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.634 14.472 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.766 16.032 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.695 16.434 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.701 14.684 -1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.573 14.428 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.643 15.756 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.844 16.570 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.213 17.307 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.401 16.372 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.253 15.546 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.865 14.832 -0.377 1.00 0.00 H new ATOM 1369 N TYR A 85 1.116 15.915 -1.090 1.00 0.00 N ATOM 1370 CA TYR A 85 2.366 16.385 -0.503 1.00 0.00 C ATOM 1371 C TYR A 85 3.085 17.343 -1.446 1.00 0.00 C ATOM 1372 O TYR A 85 3.691 18.323 -1.010 1.00 0.00 O ATOM 1373 CB TYR A 85 3.274 15.200 -0.170 1.00 0.00 C ATOM 1374 CG TYR A 85 3.141 14.716 1.257 1.00 0.00 C ATOM 1375 CD1 TYR A 85 3.712 15.424 2.306 1.00 0.00 C ATOM 1376 CD2 TYR A 85 2.444 13.552 1.554 1.00 0.00 C ATOM 1377 CE1 TYR A 85 3.593 14.985 3.611 1.00 0.00 C ATOM 1378 CE2 TYR A 85 2.319 13.106 2.857 1.00 0.00 C ATOM 1379 CZ TYR A 85 2.896 13.826 3.881 1.00 0.00 C ATOM 1380 OH TYR A 85 2.775 13.387 5.179 1.00 0.00 O ATOM 0 H TYR A 85 1.055 14.902 -1.197 1.00 0.00 H new ATOM 0 HA TYR A 85 2.128 16.921 0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.045 14.377 -0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.310 15.485 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.258 16.332 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.992 12.985 0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.044 15.547 4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.773 12.199 3.071 1.00 0.00 H new ATOM 0 HH TYR A 85 1.857 13.533 5.490 1.00 0.00 H new ATOM 1390 N ARG A 86 3.015 17.055 -2.742 1.00 0.00 N ATOM 1391 CA ARG A 86 3.660 17.892 -3.747 1.00 0.00 C ATOM 1392 C ARG A 86 3.115 19.316 -3.701 1.00 0.00 C ATOM 1393 O ARG A 86 3.875 20.284 -3.738 1.00 0.00 O ATOM 1394 CB ARG A 86 3.453 17.300 -5.142 1.00 0.00 C ATOM 1395 CG ARG A 86 4.385 16.141 -5.455 1.00 0.00 C ATOM 1396 CD ARG A 86 5.843 16.540 -5.298 1.00 0.00 C ATOM 1397 NE ARG A 86 6.368 16.190 -3.980 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.703 14.954 -3.620 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.568 13.946 -4.475 1.00 0.00 N ATOM 1400 NH2 ARG A 86 7.173 14.722 -2.403 1.00 0.00 N ATOM 0 H ARG A 86 2.518 16.249 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 86 4.727 17.923 -3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.421 16.961 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.599 18.084 -5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.162 15.305 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.209 15.796 -6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.438 16.048 -6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.944 17.614 -5.455 1.00 0.00 H new ATOM 0 HE ARG A 86 6.484 16.937 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.206 14.118 -5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.827 13.000 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.278 15.491 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.430 13.774 -2.128 1.00 0.00 H new ATOM 1414 N ASP A 87 1.793 19.436 -3.620 1.00 0.00 N ATOM 1415 CA ASP A 87 1.147 20.743 -3.568 1.00 0.00 C ATOM 1416 C ASP A 87 1.246 21.345 -2.171 1.00 0.00 C ATOM 1417 O ASP A 87 1.320 22.563 -2.012 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.321 20.624 -3.983 1.00 0.00 C ATOM 1419 CG ASP A 87 -1.015 21.972 -4.043 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -1.078 22.653 -2.998 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.494 22.344 -5.133 1.00 0.00 O ATOM 0 H ASP A 87 1.149 18.645 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 87 1.663 21.404 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.382 20.143 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.845 19.980 -3.277 1.00 0.00 H new ATOM 1426 N PHE A 88 1.245 20.482 -1.159 1.00 0.00 N ATOM 1427 CA PHE A 88 1.334 20.929 0.226 1.00 0.00 C ATOM 1428 C PHE A 88 2.629 21.697 0.469 1.00 0.00 C ATOM 1429 O PHE A 88 2.608 22.842 0.920 1.00 0.00 O ATOM 1430 CB PHE A 88 1.251 19.733 1.176 1.00 0.00 C ATOM 1431 CG PHE A 88 0.443 20.004 2.414 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -0.930 20.172 2.339 1.00 0.00 C ATOM 1433 CD2 PHE A 88 1.059 20.092 3.652 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -1.674 20.421 3.475 1.00 0.00 C ATOM 1435 CE2 PHE A 88 0.319 20.342 4.793 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.050 20.506 4.704 1.00 0.00 C ATOM 0 H PHE A 88 1.184 19.470 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 88 0.495 21.598 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.814 18.887 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.260 19.440 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.424 20.107 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.129 19.964 3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.744 20.549 3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.810 20.409 5.752 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.631 20.700 5.594 1.00 0.00 H new ATOM 1446 N LEU A 89 3.755 21.060 0.165 1.00 0.00 N ATOM 1447 CA LEU A 89 5.060 21.683 0.351 1.00 0.00 C ATOM 1448 C LEU A 89 5.735 21.944 -0.992 1.00 0.00 C ATOM 1449 O LEU A 89 5.828 23.088 -1.439 1.00 0.00 O ATOM 1450 CB LEU A 89 5.954 20.796 1.220 1.00 0.00 C ATOM 1451 CG LEU A 89 5.492 20.633 2.668 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.349 19.604 3.389 1.00 0.00 C ATOM 1453 CD2 LEU A 89 5.539 21.970 3.395 1.00 0.00 C ATOM 0 H LEU A 89 3.790 20.113 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 89 4.910 22.638 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.017 19.809 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.962 21.212 1.221 1.00 0.00 H new ATOM 0 HG LEU A 89 4.461 20.279 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.005 19.501 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.267 18.643 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.389 19.929 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.207 21.836 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.560 22.351 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.884 22.681 2.892 1.00 0.00 H new ATOM 1465 N LYS A 90 6.203 20.877 -1.631 1.00 0.00 N ATOM 1466 CA LYS A 90 6.869 20.992 -2.923 1.00 0.00 C ATOM 1467 C LYS A 90 6.873 19.652 -3.654 1.00 0.00 C ATOM 1468 O LYS A 90 6.827 19.660 -4.902 1.00 0.00 O ATOM 1469 CB LYS A 90 8.304 21.488 -2.739 1.00 0.00 C ATOM 1470 CG LYS A 90 9.056 21.675 -4.046 1.00 0.00 C ATOM 1471 CD LYS A 90 10.554 21.501 -3.856 1.00 0.00 C ATOM 1472 CE LYS A 90 11.191 20.808 -5.050 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.806 21.781 -5.994 1.00 0.00 N ATOM 1474 OXT LYS A 90 6.922 18.607 -2.971 1.00 1.00 O ATOM 0 H LYS A 90 6.133 19.924 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 90 6.317 21.714 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.286 22.436 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.848 20.778 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.695 20.955 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.852 22.668 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.019 22.476 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.742 20.919 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.952 20.110 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.437 20.221 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.229 21.269 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.075 22.431 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.544 22.324 -5.501 1.00 0.00 H new