USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD Set 1.1: A 69 LYS NZ :NH3+ -173:sc= 0.592 (180deg=-0.177) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.537 K(o=0.055,f=-5.4) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 43 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 51 TYR OH : rot 90:sc= 0.426 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 82:sc= 0.799 USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 64 SER OG : rot -94:sc= 0.752 USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0318) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0.0532 (180deg=0.047) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 64:sc= 1.19 USER MOD Single : A 79 TYR OH : rot 164:sc= -1.06 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 43:sc= 0.426 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 23.078 -15.523 -6.812 1.00 0.00 N ATOM 2 CA ASP A 28 23.376 -14.447 -5.868 1.00 0.00 C ATOM 3 C ASP A 28 24.079 -13.328 -6.607 1.00 0.00 C ATOM 4 O ASP A 28 24.812 -13.584 -7.566 1.00 0.00 O ATOM 5 CB ASP A 28 24.259 -14.948 -4.709 1.00 0.00 C ATOM 6 CG ASP A 28 25.625 -15.416 -5.144 1.00 0.00 C ATOM 7 OD1 ASP A 28 25.727 -16.500 -5.744 1.00 0.00 O ATOM 8 OD2 ASP A 28 26.618 -14.702 -4.896 1.00 0.00 O ATOM 0 HA ASP A 28 22.441 -14.086 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.375 -14.146 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 28 23.748 -15.767 -4.203 1.00 0.00 H new ATOM 13 N PRO A 29 23.847 -12.072 -6.208 1.00 0.00 N ATOM 14 CA PRO A 29 24.482 -10.919 -6.832 1.00 0.00 C ATOM 15 C PRO A 29 25.841 -10.659 -6.226 1.00 0.00 C ATOM 16 O PRO A 29 26.372 -11.493 -5.487 1.00 0.00 O ATOM 17 CB PRO A 29 23.511 -9.791 -6.481 1.00 0.00 C ATOM 18 CG PRO A 29 22.986 -10.159 -5.135 1.00 0.00 C ATOM 19 CD PRO A 29 22.941 -11.668 -5.100 1.00 0.00 C ATOM 0 HA PRO A 29 24.655 -11.038 -7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 29 24.015 -8.825 -6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 29 22.708 -9.716 -7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 29 23.630 -9.770 -4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 29 21.994 -9.736 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 29 23.283 -12.057 -4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 29 21.929 -12.042 -5.253 1.00 0.00 H new ATOM 27 N ASN A 30 26.421 -9.533 -6.552 1.00 0.00 N ATOM 28 CA ASN A 30 27.695 -9.130 -5.943 1.00 0.00 C ATOM 29 C ASN A 30 27.472 -8.876 -4.460 1.00 0.00 C ATOM 30 O ASN A 30 28.376 -9.038 -3.633 1.00 0.00 O ATOM 31 CB ASN A 30 28.249 -7.878 -6.615 1.00 0.00 C ATOM 32 CG ASN A 30 29.598 -7.444 -6.057 1.00 0.00 C ATOM 33 OD1 ASN A 30 29.676 -6.664 -5.119 1.00 0.00 O ATOM 34 ND2 ASN A 30 30.664 -7.945 -6.634 1.00 0.00 N ATOM 0 H ASN A 30 26.046 -8.871 -7.231 1.00 0.00 H new ATOM 0 HA ASN A 30 28.424 -9.929 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 30 28.348 -8.061 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 30 27.535 -7.063 -6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 30 31.593 -7.686 -6.302 1.00 0.00 H new ATOM 0 HD22 ASN A 30 30.564 -8.594 -7.415 1.00 0.00 H new ATOM 41 N ALA A 31 26.236 -8.513 -4.158 1.00 0.00 N ATOM 42 CA ALA A 31 25.734 -8.261 -2.834 1.00 0.00 C ATOM 43 C ALA A 31 26.197 -6.941 -2.302 1.00 0.00 C ATOM 44 O ALA A 31 27.185 -6.846 -1.561 1.00 0.00 O ATOM 45 CB ALA A 31 25.969 -9.413 -1.857 1.00 0.00 C ATOM 0 H ALA A 31 25.524 -8.381 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 31 24.650 -8.199 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 31 25.564 -9.150 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 31 25.472 -10.310 -2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.039 -9.601 -1.767 1.00 0.00 H new ATOM 51 N GLU A 32 25.529 -5.913 -2.749 1.00 0.00 N ATOM 52 CA GLU A 32 25.738 -4.608 -2.320 1.00 0.00 C ATOM 53 C GLU A 32 24.424 -4.081 -1.823 1.00 0.00 C ATOM 54 O GLU A 32 23.561 -3.651 -2.598 1.00 0.00 O ATOM 55 CB GLU A 32 26.210 -3.751 -3.434 1.00 0.00 C ATOM 56 CG GLU A 32 27.485 -4.226 -4.114 1.00 0.00 C ATOM 57 CD GLU A 32 27.923 -3.310 -5.219 1.00 0.00 C ATOM 58 OE1 GLU A 32 27.485 -3.493 -6.368 1.00 0.00 O ATOM 59 OE2 GLU A 32 28.710 -2.378 -4.953 1.00 0.00 O ATOM 0 H GLU A 32 24.796 -5.994 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 32 26.497 -4.597 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.420 -3.685 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 32 26.373 -2.743 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 32 28.281 -4.303 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 32 27.327 -5.226 -4.517 1.00 0.00 H new ATOM 66 N PHE A 33 24.253 -4.187 -0.585 1.00 0.00 N ATOM 67 CA PHE A 33 23.053 -3.765 0.086 1.00 0.00 C ATOM 68 C PHE A 33 23.445 -2.849 1.206 1.00 0.00 C ATOM 69 O PHE A 33 24.590 -2.912 1.686 1.00 0.00 O ATOM 70 CB PHE A 33 22.302 -4.978 0.668 1.00 0.00 C ATOM 71 CG PHE A 33 21.905 -6.038 -0.330 1.00 0.00 C ATOM 72 CD1 PHE A 33 20.708 -5.954 -1.018 1.00 0.00 C ATOM 73 CD2 PHE A 33 22.732 -7.126 -0.569 1.00 0.00 C ATOM 74 CE1 PHE A 33 20.344 -6.935 -1.923 1.00 0.00 C ATOM 75 CE2 PHE A 33 22.373 -8.106 -1.471 1.00 0.00 C ATOM 76 CZ PHE A 33 21.179 -8.011 -2.150 1.00 0.00 C ATOM 0 H PHE A 33 24.954 -4.582 0.042 1.00 0.00 H new ATOM 0 HA PHE A 33 22.398 -3.259 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 33 22.929 -5.439 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 33 21.402 -4.620 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.051 -5.114 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.671 -7.207 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.406 -6.859 -2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 33 23.028 -8.947 -1.644 1.00 0.00 H new ATOM 0 HZ PHE A 33 20.896 -8.776 -2.858 1.00 0.00 H new ATOM 86 N ASP A 34 22.546 -2.003 1.621 1.00 0.00 N ATOM 87 CA ASP A 34 22.823 -1.116 2.724 1.00 0.00 C ATOM 88 C ASP A 34 22.607 -1.877 4.032 1.00 0.00 C ATOM 89 O ASP A 34 21.549 -2.481 4.232 1.00 0.00 O ATOM 90 CB ASP A 34 21.917 0.111 2.679 1.00 0.00 C ATOM 91 CG ASP A 34 22.269 1.101 3.755 1.00 0.00 C ATOM 92 OD1 ASP A 34 21.973 0.848 4.922 1.00 0.00 O ATOM 93 OD2 ASP A 34 22.893 2.143 3.441 1.00 0.00 O ATOM 0 H ASP A 34 21.615 -1.906 1.216 1.00 0.00 H new ATOM 0 HA ASP A 34 23.855 -0.772 2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 34 22.000 0.589 1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.878 -0.199 2.795 1.00 0.00 H new ATOM 98 N PRO A 35 23.603 -1.891 4.933 1.00 0.00 N ATOM 99 CA PRO A 35 23.508 -2.627 6.180 1.00 0.00 C ATOM 100 C PRO A 35 22.947 -1.816 7.366 1.00 0.00 C ATOM 101 O PRO A 35 22.976 -2.285 8.513 1.00 0.00 O ATOM 102 CB PRO A 35 24.949 -3.038 6.426 1.00 0.00 C ATOM 103 CG PRO A 35 25.764 -1.902 5.871 1.00 0.00 C ATOM 104 CD PRO A 35 24.918 -1.232 4.798 1.00 0.00 C ATOM 0 HA PRO A 35 22.802 -3.454 6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 35 25.144 -3.185 7.488 1.00 0.00 H new ATOM 0 HB3 PRO A 35 25.185 -3.977 5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 35 26.023 -1.193 6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.701 -2.268 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.846 -0.156 4.958 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.340 -1.379 3.804 1.00 0.00 H new ATOM 112 N ASP A 36 22.453 -0.637 7.111 1.00 0.00 N ATOM 113 CA ASP A 36 21.827 0.151 8.165 1.00 0.00 C ATOM 114 C ASP A 36 20.342 0.167 7.939 1.00 0.00 C ATOM 115 O ASP A 36 19.544 0.138 8.877 1.00 0.00 O ATOM 116 CB ASP A 36 22.362 1.579 8.192 1.00 0.00 C ATOM 117 CG ASP A 36 21.743 2.406 9.299 1.00 0.00 C ATOM 118 OD1 ASP A 36 22.151 2.235 10.472 1.00 0.00 O ATOM 119 OD2 ASP A 36 20.845 3.249 9.021 1.00 0.00 O ATOM 0 H ASP A 36 22.465 -0.193 6.193 1.00 0.00 H new ATOM 0 HA ASP A 36 22.061 -0.305 9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.444 1.556 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 36 22.165 2.056 7.232 1.00 0.00 H new ATOM 124 N LEU A 37 19.982 0.163 6.690 1.00 0.00 N ATOM 125 CA LEU A 37 18.607 0.181 6.282 1.00 0.00 C ATOM 126 C LEU A 37 18.102 -1.243 6.107 1.00 0.00 C ATOM 127 O LEU A 37 18.780 -2.075 5.505 1.00 0.00 O ATOM 128 CB LEU A 37 18.416 0.979 4.975 1.00 0.00 C ATOM 129 CG LEU A 37 18.526 2.534 5.020 1.00 0.00 C ATOM 130 CD1 LEU A 37 19.860 3.024 5.546 1.00 0.00 C ATOM 131 CD2 LEU A 37 18.282 3.108 3.640 1.00 0.00 C ATOM 0 H LEU A 37 20.644 0.147 5.914 1.00 0.00 H new ATOM 0 HA LEU A 37 18.029 0.677 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.152 0.617 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 37 17.433 0.729 4.577 1.00 0.00 H new ATOM 0 HG LEU A 37 17.763 2.881 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.871 4.114 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.009 2.655 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.661 2.656 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.360 4.194 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.025 2.715 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.285 2.828 3.301 1.00 0.00 H new ATOM 143 N PRO A 38 16.933 -1.559 6.675 1.00 0.00 N ATOM 144 CA PRO A 38 16.330 -2.887 6.554 1.00 0.00 C ATOM 145 C PRO A 38 16.048 -3.262 5.090 1.00 0.00 C ATOM 146 O PRO A 38 15.645 -2.407 4.269 1.00 0.00 O ATOM 147 CB PRO A 38 15.012 -2.770 7.336 1.00 0.00 C ATOM 148 CG PRO A 38 15.186 -1.578 8.218 1.00 0.00 C ATOM 149 CD PRO A 38 16.120 -0.653 7.494 1.00 0.00 C ATOM 0 HA PRO A 38 16.992 -3.665 6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.164 -2.642 6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.820 -3.669 7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.229 -1.093 8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.597 -1.867 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.577 0.065 6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.734 -0.079 8.188 1.00 0.00 H new ATOM 157 N GLY A 39 16.288 -4.519 4.763 1.00 0.00 N ATOM 158 CA GLY A 39 16.049 -5.016 3.426 1.00 0.00 C ATOM 159 C GLY A 39 17.019 -4.452 2.428 1.00 0.00 C ATOM 160 O GLY A 39 16.670 -4.232 1.257 1.00 0.00 O ATOM 0 H GLY A 39 16.651 -5.217 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.122 -6.104 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.032 -4.765 3.123 1.00 0.00 H new ATOM 164 N GLY A 40 18.219 -4.163 2.898 1.00 0.00 N ATOM 165 CA GLY A 40 19.261 -3.639 2.052 1.00 0.00 C ATOM 166 C GLY A 40 18.996 -2.228 1.596 1.00 0.00 C ATOM 167 O GLY A 40 19.729 -1.697 0.766 1.00 0.00 O ATOM 0 H GLY A 40 18.492 -4.286 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.208 -3.669 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.370 -4.282 1.179 1.00 0.00 H new ATOM 171 N GLY A 41 17.949 -1.619 2.141 1.00 0.00 N ATOM 172 CA GLY A 41 17.567 -0.290 1.741 1.00 0.00 C ATOM 173 C GLY A 41 16.852 -0.280 0.402 1.00 0.00 C ATOM 174 O GLY A 41 16.599 0.778 -0.167 1.00 0.00 O ATOM 0 H GLY A 41 17.356 -2.033 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.918 0.144 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.455 0.340 1.682 1.00 0.00 H new ATOM 178 N LEU A 42 16.515 -1.458 -0.096 1.00 0.00 N ATOM 179 CA LEU A 42 15.888 -1.591 -1.385 1.00 0.00 C ATOM 180 C LEU A 42 14.382 -1.718 -1.286 1.00 0.00 C ATOM 181 O LEU A 42 13.677 -1.586 -2.283 1.00 0.00 O ATOM 182 CB LEU A 42 16.437 -2.821 -2.095 1.00 0.00 C ATOM 183 CG LEU A 42 17.920 -2.809 -2.464 1.00 0.00 C ATOM 184 CD1 LEU A 42 18.307 -4.124 -3.111 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.226 -1.655 -3.405 1.00 0.00 C ATOM 0 H LEU A 42 16.671 -2.343 0.387 1.00 0.00 H new ATOM 0 HA LEU A 42 16.113 -0.684 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.254 -3.688 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 42 15.862 -2.968 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 42 18.502 -2.677 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.366 -4.104 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.119 -4.941 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.715 -4.273 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.286 -1.662 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.636 -1.762 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.975 -0.712 -2.918 1.00 0.00 H new ATOM 197 N HIS A 43 13.875 -1.951 -0.101 1.00 0.00 N ATOM 198 CA HIS A 43 12.460 -2.227 0.031 1.00 0.00 C ATOM 199 C HIS A 43 11.849 -1.306 1.038 1.00 0.00 C ATOM 200 O HIS A 43 12.008 -1.502 2.239 1.00 0.00 O ATOM 201 CB HIS A 43 12.198 -3.678 0.452 1.00 0.00 C ATOM 202 CG HIS A 43 12.973 -4.702 -0.321 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.707 -5.030 -1.620 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.029 -5.469 0.047 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.555 -5.952 -2.022 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.369 -6.231 -1.029 1.00 0.00 N ATOM 0 H HIS A 43 14.404 -1.956 0.771 1.00 0.00 H new ATOM 0 HA HIS A 43 12.006 -2.068 -0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.436 -3.784 1.510 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.134 -3.888 0.342 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.511 -5.474 1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.578 -6.403 -3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.131 -6.908 -1.059 1.00 0.00 H new ATOM 215 N ARG A 44 11.198 -0.293 0.562 1.00 0.00 N ATOM 216 CA ARG A 44 10.530 0.642 1.420 1.00 0.00 C ATOM 217 C ARG A 44 9.222 1.086 0.864 1.00 0.00 C ATOM 218 O ARG A 44 9.035 1.167 -0.354 1.00 0.00 O ATOM 219 CB ARG A 44 11.364 1.900 1.715 1.00 0.00 C ATOM 220 CG ARG A 44 11.882 2.686 0.487 1.00 0.00 C ATOM 221 CD ARG A 44 13.055 1.997 -0.195 1.00 0.00 C ATOM 222 NE ARG A 44 13.453 2.646 -1.446 1.00 0.00 N ATOM 223 CZ ARG A 44 14.523 3.452 -1.598 1.00 0.00 C ATOM 224 NH1 ARG A 44 15.184 3.927 -0.533 1.00 0.00 N ATOM 225 NH2 ARG A 44 14.897 3.819 -2.815 1.00 0.00 N ATOM 0 H ARG A 44 11.112 -0.087 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 44 10.376 0.090 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.761 2.575 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.222 1.607 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.070 2.809 -0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.184 3.685 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.906 1.981 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.791 0.959 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 44 12.874 2.474 -2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.879 3.680 0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.992 4.536 -0.664 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.376 3.492 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.705 4.429 -2.938 1.00 0.00 H new ATOM 239 N CYS A 45 8.318 1.341 1.746 1.00 0.00 N ATOM 240 CA CYS A 45 7.087 1.992 1.385 1.00 0.00 C ATOM 241 C CYS A 45 7.291 3.451 1.702 1.00 0.00 C ATOM 242 O CYS A 45 7.464 3.799 2.865 1.00 0.00 O ATOM 243 CB CYS A 45 5.868 1.420 2.160 1.00 0.00 C ATOM 244 SG CYS A 45 4.281 2.321 1.877 1.00 0.00 S ATOM 0 H CYS A 45 8.402 1.109 2.736 1.00 0.00 H new ATOM 0 HA CYS A 45 6.860 1.830 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.733 0.376 1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.093 1.435 3.226 1.00 0.00 H new ATOM 249 N LEU A 46 7.263 4.292 0.699 1.00 0.00 N ATOM 250 CA LEU A 46 7.535 5.721 0.878 1.00 0.00 C ATOM 251 C LEU A 46 6.453 6.377 1.702 1.00 0.00 C ATOM 252 O LEU A 46 6.706 7.296 2.470 1.00 0.00 O ATOM 253 CB LEU A 46 7.664 6.413 -0.470 1.00 0.00 C ATOM 254 CG LEU A 46 8.774 5.924 -1.382 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.776 6.699 -2.683 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.134 5.997 -0.707 1.00 0.00 C ATOM 0 H LEU A 46 7.054 4.022 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 46 8.480 5.820 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.717 6.307 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.813 7.478 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 46 8.578 4.875 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.579 6.333 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.820 6.564 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.931 7.758 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.901 5.638 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.348 7.030 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.129 5.376 0.189 1.00 0.00 H new ATOM 268 N ALA A 47 5.258 5.875 1.552 1.00 0.00 N ATOM 269 CA ALA A 47 4.114 6.358 2.305 1.00 0.00 C ATOM 270 C ALA A 47 4.249 6.047 3.798 1.00 0.00 C ATOM 271 O ALA A 47 3.564 6.640 4.624 1.00 0.00 O ATOM 272 CB ALA A 47 2.841 5.746 1.763 1.00 0.00 C ATOM 0 H ALA A 47 5.041 5.117 0.905 1.00 0.00 H new ATOM 0 HA ALA A 47 4.074 7.441 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.989 6.114 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.722 6.022 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.894 4.661 1.849 1.00 0.00 H new ATOM 278 N CYS A 48 5.119 5.109 4.142 1.00 0.00 N ATOM 279 CA CYS A 48 5.294 4.748 5.532 1.00 0.00 C ATOM 280 C CYS A 48 6.697 5.015 6.044 1.00 0.00 C ATOM 281 O CYS A 48 6.937 4.960 7.244 1.00 0.00 O ATOM 282 CB CYS A 48 4.818 3.306 5.798 1.00 0.00 C ATOM 283 SG CYS A 48 3.117 3.122 5.453 1.00 0.00 S ATOM 0 H CYS A 48 5.705 4.593 3.485 1.00 0.00 H new ATOM 0 HA CYS A 48 4.653 5.408 6.116 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.392 2.613 5.184 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.010 3.044 6.838 1.00 0.00 H new ATOM 288 N ALA A 49 7.620 5.312 5.117 1.00 0.00 N ATOM 289 CA ALA A 49 9.033 5.589 5.423 1.00 0.00 C ATOM 290 C ALA A 49 9.697 4.386 6.093 1.00 0.00 C ATOM 291 O ALA A 49 10.778 4.493 6.667 1.00 0.00 O ATOM 292 CB ALA A 49 9.171 6.848 6.289 1.00 0.00 C ATOM 0 H ALA A 49 7.404 5.367 4.122 1.00 0.00 H new ATOM 0 HA ALA A 49 9.549 5.772 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.225 7.030 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.755 7.703 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.632 6.706 7.226 1.00 0.00 H new ATOM 298 N ARG A 50 9.066 3.237 5.973 1.00 0.00 N ATOM 299 CA ARG A 50 9.551 2.044 6.613 1.00 0.00 C ATOM 300 C ARG A 50 10.165 1.130 5.611 1.00 0.00 C ATOM 301 O ARG A 50 9.691 1.029 4.461 1.00 0.00 O ATOM 302 CB ARG A 50 8.433 1.302 7.355 1.00 0.00 C ATOM 303 CG ARG A 50 7.739 2.116 8.433 1.00 0.00 C ATOM 304 CD ARG A 50 8.720 2.609 9.478 1.00 0.00 C ATOM 305 NE ARG A 50 8.056 3.395 10.517 1.00 0.00 N ATOM 306 CZ ARG A 50 8.684 4.124 11.439 1.00 0.00 C ATOM 307 NH1 ARG A 50 10.011 4.235 11.416 1.00 0.00 N ATOM 308 NH2 ARG A 50 7.987 4.763 12.375 1.00 0.00 N ATOM 0 H ARG A 50 8.210 3.109 5.433 1.00 0.00 H new ATOM 0 HA ARG A 50 10.302 2.352 7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.688 0.975 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.851 0.404 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.233 2.967 7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.972 1.508 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.225 1.757 9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.488 3.216 8.998 1.00 0.00 H new ATOM 0 HE ARG A 50 7.036 3.385 10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.550 3.761 10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.488 4.794 12.123 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.969 4.696 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.470 5.320 13.079 1.00 0.00 H new ATOM 322 N TYR A 51 11.198 0.479 6.032 1.00 0.00 N ATOM 323 CA TYR A 51 11.909 -0.447 5.249 1.00 0.00 C ATOM 324 C TYR A 51 11.592 -1.848 5.688 1.00 0.00 C ATOM 325 O TYR A 51 11.411 -2.111 6.880 1.00 0.00 O ATOM 326 CB TYR A 51 13.382 -0.174 5.367 1.00 0.00 C ATOM 327 CG TYR A 51 13.855 1.017 4.588 1.00 0.00 C ATOM 328 CD1 TYR A 51 13.631 2.318 5.027 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.523 0.835 3.398 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.063 3.397 4.283 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.959 1.899 2.659 1.00 0.00 C ATOM 332 CZ TYR A 51 14.729 3.174 3.097 1.00 0.00 C ATOM 333 OH TYR A 51 15.157 4.228 2.339 1.00 0.00 O ATOM 0 H TYR A 51 11.577 0.590 6.972 1.00 0.00 H new ATOM 0 HA TYR A 51 11.613 -0.343 4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.629 -0.027 6.418 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.930 -1.054 5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.113 2.485 5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.706 -0.168 3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.881 4.405 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.485 1.733 1.730 1.00 0.00 H new ATOM 0 HH TYR A 51 16.064 4.479 2.611 1.00 0.00 H new ATOM 343 N PHE A 52 11.516 -2.724 4.740 1.00 0.00 N ATOM 344 CA PHE A 52 11.154 -4.090 4.980 1.00 0.00 C ATOM 345 C PHE A 52 12.271 -4.989 4.504 1.00 0.00 C ATOM 346 O PHE A 52 12.972 -4.652 3.542 1.00 0.00 O ATOM 347 CB PHE A 52 9.846 -4.420 4.248 1.00 0.00 C ATOM 348 CG PHE A 52 8.680 -3.538 4.655 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.519 -2.279 4.097 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.760 -3.965 5.600 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.469 -1.468 4.463 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.703 -3.151 5.971 1.00 0.00 C ATOM 353 CZ PHE A 52 6.562 -1.898 5.399 1.00 0.00 C ATOM 0 H PHE A 52 11.706 -2.511 3.761 1.00 0.00 H new ATOM 0 HA PHE A 52 10.999 -4.249 6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.006 -4.323 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.586 -5.461 4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.229 -1.929 3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.869 -4.941 6.051 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.359 -0.492 4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.989 -3.493 6.706 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.740 -1.260 5.689 1.00 0.00 H new ATOM 363 N ILE A 53 12.422 -6.131 5.155 1.00 0.00 N ATOM 364 CA ILE A 53 13.504 -7.055 4.892 1.00 0.00 C ATOM 365 C ILE A 53 13.484 -7.619 3.466 1.00 0.00 C ATOM 366 O ILE A 53 14.530 -7.931 2.901 1.00 0.00 O ATOM 367 CB ILE A 53 13.516 -8.210 5.915 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.208 -9.022 5.858 1.00 0.00 C ATOM 369 CG2 ILE A 53 13.756 -7.664 7.318 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.168 -10.203 6.801 1.00 0.00 C ATOM 0 H ILE A 53 11.787 -6.443 5.889 1.00 0.00 H new ATOM 0 HA ILE A 53 14.420 -6.474 4.995 1.00 0.00 H new ATOM 0 HB ILE A 53 14.332 -8.886 5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.373 -8.360 6.087 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.060 -9.380 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.763 -8.487 8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.716 -7.149 7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.961 -6.965 7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.214 -10.719 6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.980 -10.889 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.282 -9.853 7.827 1.00 0.00 H new ATOM 382 N ASP A 54 12.311 -7.734 2.885 1.00 0.00 N ATOM 383 CA ASP A 54 12.183 -8.267 1.538 1.00 0.00 C ATOM 384 C ASP A 54 11.000 -7.616 0.857 1.00 0.00 C ATOM 385 O ASP A 54 10.095 -7.114 1.539 1.00 0.00 O ATOM 386 CB ASP A 54 12.019 -9.800 1.573 1.00 0.00 C ATOM 387 CG ASP A 54 11.908 -10.422 0.195 1.00 0.00 C ATOM 388 OD1 ASP A 54 12.945 -10.629 -0.453 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.775 -10.693 -0.255 1.00 0.00 O ATOM 0 H ASP A 54 11.428 -7.467 3.321 1.00 0.00 H new ATOM 0 HA ASP A 54 13.089 -8.044 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.870 -10.238 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.129 -10.050 2.150 1.00 0.00 H new ATOM 394 N SER A 55 10.997 -7.620 -0.469 1.00 0.00 N ATOM 395 CA SER A 55 9.935 -7.008 -1.249 1.00 0.00 C ATOM 396 C SER A 55 8.602 -7.695 -0.976 1.00 0.00 C ATOM 397 O SER A 55 7.571 -7.053 -0.969 1.00 0.00 O ATOM 398 CB SER A 55 10.287 -7.035 -2.754 1.00 0.00 C ATOM 399 OG SER A 55 9.265 -6.459 -3.550 1.00 0.00 O ATOM 0 H SER A 55 11.732 -8.048 -1.032 1.00 0.00 H new ATOM 0 HA SER A 55 9.836 -5.965 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.220 -6.496 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.454 -8.065 -3.069 1.00 0.00 H new ATOM 0 HG SER A 55 9.527 -6.494 -4.494 1.00 0.00 H new ATOM 405 N THR A 56 8.638 -8.992 -0.695 1.00 0.00 N ATOM 406 CA THR A 56 7.429 -9.729 -0.417 1.00 0.00 C ATOM 407 C THR A 56 6.785 -9.234 0.896 1.00 0.00 C ATOM 408 O THR A 56 5.566 -9.128 0.997 1.00 0.00 O ATOM 409 CB THR A 56 7.722 -11.223 -0.338 1.00 0.00 C ATOM 410 OG1 THR A 56 8.462 -11.611 -1.508 1.00 0.00 O ATOM 411 CG2 THR A 56 6.435 -12.035 -0.273 1.00 0.00 C ATOM 0 H THR A 56 9.493 -9.547 -0.656 1.00 0.00 H new ATOM 0 HA THR A 56 6.725 -9.558 -1.232 1.00 0.00 H new ATOM 0 HB THR A 56 8.297 -11.418 0.567 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.410 -11.400 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.677 -13.096 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.866 -11.746 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.839 -11.845 -1.166 1.00 0.00 H new ATOM 419 N ASN A 57 7.619 -8.888 1.877 1.00 0.00 N ATOM 420 CA ASN A 57 7.158 -8.358 3.137 1.00 0.00 C ATOM 421 C ASN A 57 6.595 -6.968 2.950 1.00 0.00 C ATOM 422 O ASN A 57 5.575 -6.602 3.550 1.00 0.00 O ATOM 423 CB ASN A 57 8.295 -8.352 4.157 1.00 0.00 C ATOM 424 CG ASN A 57 8.606 -9.719 4.737 1.00 0.00 C ATOM 425 OD1 ASN A 57 9.512 -10.441 4.127 1.00 0.00 O flip ATOM 426 ND2 ASN A 57 8.035 -10.116 5.750 1.00 0.00 N flip ATOM 0 H ASN A 57 8.633 -8.972 1.809 1.00 0.00 H new ATOM 0 HA ASN A 57 6.362 -8.999 3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.193 -7.956 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.038 -7.673 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.333 -9.530 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.263 -11.031 6.138 1.00 0.00 H new ATOM 433 N LEU A 58 7.249 -6.205 2.107 1.00 0.00 N ATOM 434 CA LEU A 58 6.801 -4.879 1.749 1.00 0.00 C ATOM 435 C LEU A 58 5.462 -4.958 1.008 1.00 0.00 C ATOM 436 O LEU A 58 4.514 -4.253 1.334 1.00 0.00 O ATOM 437 CB LEU A 58 7.934 -4.156 0.948 1.00 0.00 C ATOM 438 CG LEU A 58 7.624 -2.835 0.227 1.00 0.00 C ATOM 439 CD1 LEU A 58 6.966 -3.077 -1.104 1.00 0.00 C ATOM 440 CD2 LEU A 58 6.791 -1.919 1.099 1.00 0.00 C ATOM 0 H LEU A 58 8.114 -6.488 1.646 1.00 0.00 H new ATOM 0 HA LEU A 58 6.610 -4.276 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.754 -3.966 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.305 -4.857 0.200 1.00 0.00 H new ATOM 0 HG LEU A 58 8.572 -2.333 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.760 -2.122 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.629 -3.668 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.031 -3.617 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.587 -0.992 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.850 -2.409 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.336 -1.695 2.016 1.00 0.00 H new ATOM 452 N LYS A 59 5.413 -5.803 0.041 1.00 0.00 N ATOM 453 CA LYS A 59 4.201 -6.067 -0.726 1.00 0.00 C ATOM 454 C LYS A 59 3.046 -6.588 0.175 1.00 0.00 C ATOM 455 O LYS A 59 1.890 -6.216 -0.020 1.00 0.00 O ATOM 456 CB LYS A 59 4.528 -7.027 -1.868 1.00 0.00 C ATOM 457 CG LYS A 59 3.364 -7.403 -2.763 1.00 0.00 C ATOM 458 CD LYS A 59 3.835 -8.244 -3.947 1.00 0.00 C ATOM 459 CE LYS A 59 4.577 -9.499 -3.501 1.00 0.00 C ATOM 460 NZ LYS A 59 5.006 -10.323 -4.642 1.00 0.00 N ATOM 0 H LYS A 59 6.218 -6.352 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 59 3.840 -5.132 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.306 -6.578 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.945 -7.940 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.624 -7.960 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.873 -6.500 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.975 -8.528 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.488 -7.644 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.449 -9.214 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.932 -10.089 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.506 -11.166 -4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.173 -10.617 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.643 -9.769 -5.250 1.00 0.00 H new ATOM 474 N THR A 60 3.376 -7.419 1.176 1.00 0.00 N ATOM 475 CA THR A 60 2.383 -7.917 2.144 1.00 0.00 C ATOM 476 C THR A 60 1.794 -6.742 2.964 1.00 0.00 C ATOM 477 O THR A 60 0.626 -6.752 3.393 1.00 0.00 O ATOM 478 CB THR A 60 2.985 -8.994 3.071 1.00 0.00 C ATOM 479 OG1 THR A 60 3.461 -10.101 2.276 1.00 0.00 O ATOM 480 CG2 THR A 60 1.963 -9.516 4.077 1.00 0.00 C ATOM 0 H THR A 60 4.323 -7.761 1.337 1.00 0.00 H new ATOM 0 HA THR A 60 1.575 -8.388 1.585 1.00 0.00 H new ATOM 0 HB THR A 60 3.804 -8.533 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.208 -9.804 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.428 -10.272 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.609 -8.692 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.121 -9.957 3.544 1.00 0.00 H new ATOM 488 N HIS A 61 2.609 -5.730 3.137 1.00 0.00 N ATOM 489 CA HIS A 61 2.238 -4.506 3.818 1.00 0.00 C ATOM 490 C HIS A 61 1.116 -3.762 3.086 1.00 0.00 C ATOM 491 O HIS A 61 0.321 -3.068 3.716 1.00 0.00 O ATOM 492 CB HIS A 61 3.494 -3.605 4.044 1.00 0.00 C ATOM 493 CG HIS A 61 3.203 -2.146 4.287 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.579 -1.667 5.405 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.395 -1.066 3.487 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.394 -0.381 5.270 1.00 0.00 C ATOM 497 NE2 HIS A 61 2.872 0.000 4.145 1.00 0.00 N ATOM 0 H HIS A 61 3.572 -5.731 2.801 1.00 0.00 H new ATOM 0 HA HIS A 61 1.838 -4.771 4.797 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.052 -3.994 4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.143 -3.689 3.172 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.303 -2.224 6.214 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.871 -1.057 2.517 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.913 0.260 5.994 1.00 0.00 H new ATOM 505 N PHE A 62 1.029 -3.917 1.772 1.00 0.00 N ATOM 506 CA PHE A 62 0.002 -3.195 1.046 1.00 0.00 C ATOM 507 C PHE A 62 -1.289 -4.006 0.982 1.00 0.00 C ATOM 508 O PHE A 62 -2.160 -3.716 0.200 1.00 0.00 O ATOM 509 CB PHE A 62 0.416 -2.789 -0.367 1.00 0.00 C ATOM 510 CG PHE A 62 1.755 -2.153 -0.502 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.075 -0.988 0.178 1.00 0.00 C ATOM 512 CD2 PHE A 62 2.697 -2.730 -1.311 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.328 -0.419 0.043 1.00 0.00 C ATOM 514 CE2 PHE A 62 3.937 -2.183 -1.451 1.00 0.00 C ATOM 515 CZ PHE A 62 4.270 -1.027 -0.780 1.00 0.00 C ATOM 0 H PHE A 62 1.634 -4.513 1.207 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.159 -2.275 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.393 -3.677 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.332 -2.099 -0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.340 -0.522 0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.453 -3.635 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.573 0.490 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.664 -2.659 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.254 -0.596 -0.892 1.00 0.00 H new ATOM 525 N ARG A 63 -1.419 -5.022 1.811 1.00 0.00 N ATOM 526 CA ARG A 63 -2.721 -5.720 1.909 1.00 0.00 C ATOM 527 C ARG A 63 -3.774 -4.806 2.535 1.00 0.00 C ATOM 528 O ARG A 63 -4.968 -5.108 2.530 1.00 0.00 O ATOM 529 CB ARG A 63 -2.621 -7.036 2.669 1.00 0.00 C ATOM 530 CG ARG A 63 -2.196 -8.258 1.851 1.00 0.00 C ATOM 531 CD ARG A 63 -0.943 -8.040 1.025 1.00 0.00 C ATOM 532 NE ARG A 63 -0.458 -9.304 0.460 1.00 0.00 N ATOM 533 CZ ARG A 63 0.122 -9.470 -0.731 1.00 0.00 C ATOM 534 NH1 ARG A 63 0.286 -8.446 -1.559 1.00 0.00 N ATOM 535 NH2 ARG A 63 0.540 -10.677 -1.088 1.00 0.00 N ATOM 0 H ARG A 63 -0.680 -5.386 2.413 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.030 -5.968 0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.911 -6.907 3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.591 -7.246 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.032 -9.097 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.013 -8.540 1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.152 -7.335 0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.167 -7.594 1.647 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.576 -10.139 1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.033 -7.516 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.731 -8.589 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.417 -11.467 -0.455 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.984 -10.815 -1.996 1.00 0.00 H new ATOM 549 N SER A 64 -3.311 -3.702 3.066 1.00 0.00 N ATOM 550 CA SER A 64 -4.130 -2.674 3.609 1.00 0.00 C ATOM 551 C SER A 64 -4.829 -1.902 2.459 1.00 0.00 C ATOM 552 O SER A 64 -4.188 -1.136 1.710 1.00 0.00 O ATOM 553 CB SER A 64 -3.232 -1.773 4.466 1.00 0.00 C ATOM 554 OG SER A 64 -2.024 -1.453 3.767 1.00 0.00 O ATOM 0 H SER A 64 -2.314 -3.497 3.129 1.00 0.00 H new ATOM 0 HA SER A 64 -4.923 -3.078 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.764 -0.857 4.721 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.994 -2.275 5.404 1.00 0.00 H new ATOM 0 HG SER A 64 -1.322 -2.088 4.020 1.00 0.00 H new ATOM 560 N LYS A 65 -6.135 -2.125 2.301 1.00 0.00 N ATOM 561 CA LYS A 65 -6.873 -1.544 1.180 1.00 0.00 C ATOM 562 C LYS A 65 -7.011 -0.027 1.298 1.00 0.00 C ATOM 563 O LYS A 65 -6.970 0.693 0.293 1.00 0.00 O ATOM 564 CB LYS A 65 -8.246 -2.276 0.926 1.00 0.00 C ATOM 565 CG LYS A 65 -9.316 -2.220 2.050 1.00 0.00 C ATOM 566 CD LYS A 65 -9.929 -0.830 2.199 1.00 0.00 C ATOM 567 CE LYS A 65 -10.967 -0.757 3.305 1.00 0.00 C ATOM 568 NZ LYS A 65 -12.143 -1.625 3.061 1.00 0.00 N ATOM 0 H LYS A 65 -6.698 -2.698 2.929 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.275 -1.716 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.687 -1.856 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.033 -3.325 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.104 -2.941 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.862 -2.518 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.137 -0.109 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.390 -0.539 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.503 -1.042 4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.301 0.275 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.858 -1.455 3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.547 -1.407 2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.850 -2.622 3.087 1.00 0.00 H new ATOM 582 N ASP A 66 -7.112 0.453 2.528 1.00 0.00 N ATOM 583 CA ASP A 66 -7.316 1.877 2.796 1.00 0.00 C ATOM 584 C ASP A 66 -6.056 2.628 2.515 1.00 0.00 C ATOM 585 O ASP A 66 -6.078 3.771 2.107 1.00 0.00 O ATOM 586 CB ASP A 66 -7.732 2.102 4.244 1.00 0.00 C ATOM 587 CG ASP A 66 -8.034 3.557 4.564 1.00 0.00 C ATOM 588 OD1 ASP A 66 -9.178 3.998 4.354 1.00 0.00 O ATOM 589 OD2 ASP A 66 -7.138 4.280 5.057 1.00 0.00 O ATOM 0 H ASP A 66 -7.056 -0.125 3.366 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.113 2.239 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.614 1.499 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.937 1.750 4.902 1.00 0.00 H new ATOM 594 N HIS A 67 -4.956 1.960 2.729 1.00 0.00 N ATOM 595 CA HIS A 67 -3.637 2.532 2.496 1.00 0.00 C ATOM 596 C HIS A 67 -3.445 2.837 1.059 1.00 0.00 C ATOM 597 O HIS A 67 -3.059 3.926 0.700 1.00 0.00 O ATOM 598 CB HIS A 67 -2.555 1.569 2.930 1.00 0.00 C ATOM 599 CG HIS A 67 -1.186 2.058 2.829 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.872 3.353 3.164 1.00 0.00 N ATOM 601 CD2 HIS A 67 -0.076 1.369 2.810 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.382 3.426 3.403 1.00 0.00 C ATOM 603 NE2 HIS A 67 0.911 2.251 3.212 1.00 0.00 N ATOM 0 H HIS A 67 -4.938 0.999 3.071 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.570 3.450 3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.743 1.285 3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.641 0.663 2.331 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.532 4.129 3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.045 0.331 2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.914 4.314 3.712 1.00 0.00 H new ATOM 611 N LYS A 68 -3.703 1.874 0.254 1.00 0.00 N ATOM 612 CA LYS A 68 -3.524 2.010 -1.154 1.00 0.00 C ATOM 613 C LYS A 68 -4.566 2.950 -1.710 1.00 0.00 C ATOM 614 O LYS A 68 -4.328 3.649 -2.680 1.00 0.00 O ATOM 615 CB LYS A 68 -3.588 0.664 -1.781 1.00 0.00 C ATOM 616 CG LYS A 68 -2.594 -0.319 -1.163 1.00 0.00 C ATOM 617 CD LYS A 68 -2.732 -1.679 -1.813 1.00 0.00 C ATOM 618 CE LYS A 68 -4.115 -2.279 -1.574 1.00 0.00 C ATOM 619 NZ LYS A 68 -4.200 -3.663 -2.063 1.00 0.00 N ATOM 0 H LYS A 68 -4.047 0.960 0.550 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.548 2.440 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.598 0.267 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.388 0.754 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.577 0.052 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.771 -0.401 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.554 -1.590 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.970 -2.351 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.343 -2.255 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.867 -1.669 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.179 -4.002 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.909 -3.697 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.572 -4.270 -1.498 1.00 0.00 H new ATOM 633 N LYS A 69 -5.718 2.980 -1.070 1.00 0.00 N ATOM 634 CA LYS A 69 -6.733 3.940 -1.406 1.00 0.00 C ATOM 635 C LYS A 69 -6.240 5.334 -1.068 1.00 0.00 C ATOM 636 O LYS A 69 -6.445 6.270 -1.826 1.00 0.00 O ATOM 637 CB LYS A 69 -8.021 3.662 -0.653 1.00 0.00 C ATOM 638 CG LYS A 69 -9.066 4.723 -0.867 1.00 0.00 C ATOM 639 CD LYS A 69 -10.357 4.394 -0.141 1.00 0.00 C ATOM 640 CE LYS A 69 -11.411 5.474 -0.355 1.00 0.00 C ATOM 641 NZ LYS A 69 -10.990 6.789 0.184 1.00 0.00 N ATOM 0 H LYS A 69 -5.969 2.345 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.938 3.864 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.420 2.698 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.803 3.583 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.687 5.683 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.265 4.828 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.740 3.436 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.158 4.285 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.617 5.570 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.342 5.169 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.783 7.459 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.705 6.681 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.187 7.150 -0.370 1.00 0.00 H new ATOM 655 N ARG A 70 -5.554 5.444 0.071 1.00 0.00 N ATOM 656 CA ARG A 70 -5.019 6.694 0.555 1.00 0.00 C ATOM 657 C ARG A 70 -3.992 7.206 -0.444 1.00 0.00 C ATOM 658 O ARG A 70 -3.848 8.394 -0.642 1.00 0.00 O ATOM 659 CB ARG A 70 -4.334 6.444 1.903 1.00 0.00 C ATOM 660 CG ARG A 70 -4.025 7.679 2.714 1.00 0.00 C ATOM 661 CD ARG A 70 -5.307 8.346 3.166 1.00 0.00 C ATOM 662 NE ARG A 70 -6.169 7.416 3.925 1.00 0.00 N ATOM 663 CZ ARG A 70 -7.273 7.760 4.588 1.00 0.00 C ATOM 664 NH1 ARG A 70 -7.636 9.031 4.662 1.00 0.00 N ATOM 665 NH2 ARG A 70 -8.007 6.827 5.177 1.00 0.00 N ATOM 0 H ARG A 70 -5.358 4.651 0.682 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.816 7.428 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.971 5.790 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.403 5.906 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.421 7.411 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.435 8.376 2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.069 9.210 3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.850 8.718 2.297 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.898 6.433 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.070 9.750 4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.481 9.291 5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.727 5.848 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.852 7.088 5.685 1.00 0.00 H new ATOM 679 N LEU A 71 -3.315 6.270 -1.086 1.00 0.00 N ATOM 680 CA LEU A 71 -2.296 6.556 -2.057 1.00 0.00 C ATOM 681 C LEU A 71 -2.952 7.004 -3.356 1.00 0.00 C ATOM 682 O LEU A 71 -2.541 7.981 -3.991 1.00 0.00 O ATOM 683 CB LEU A 71 -1.489 5.284 -2.322 1.00 0.00 C ATOM 684 CG LEU A 71 -0.807 4.609 -1.122 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.003 3.401 -1.572 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.067 5.577 -0.359 1.00 0.00 C ATOM 0 H LEU A 71 -3.468 5.273 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.641 7.343 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.154 4.555 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.719 5.522 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.592 4.272 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.472 2.937 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.666 2.681 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.763 3.717 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.532 5.062 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.842 5.966 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.541 6.402 0.012 1.00 0.00 H new ATOM 698 N LYS A 72 -3.985 6.285 -3.724 1.00 0.00 N ATOM 699 CA LYS A 72 -4.728 6.509 -4.943 1.00 0.00 C ATOM 700 C LYS A 72 -5.454 7.864 -4.904 1.00 0.00 C ATOM 701 O LYS A 72 -5.500 8.580 -5.903 1.00 0.00 O ATOM 702 CB LYS A 72 -5.710 5.349 -5.141 1.00 0.00 C ATOM 703 CG LYS A 72 -6.467 5.367 -6.454 1.00 0.00 C ATOM 704 CD LYS A 72 -7.457 4.207 -6.552 1.00 0.00 C ATOM 705 CE LYS A 72 -6.770 2.845 -6.497 1.00 0.00 C ATOM 706 NZ LYS A 72 -7.747 1.738 -6.584 1.00 0.00 N ATOM 0 H LYS A 72 -4.342 5.507 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.043 6.544 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.160 4.411 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.431 5.359 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.002 6.311 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.760 5.313 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.178 4.280 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.018 4.290 -7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.054 2.765 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.204 2.760 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.245 0.828 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.415 1.801 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.269 1.806 -7.481 1.00 0.00 H new ATOM 720 N GLN A 73 -5.991 8.212 -3.739 1.00 0.00 N ATOM 721 CA GLN A 73 -6.686 9.479 -3.560 1.00 0.00 C ATOM 722 C GLN A 73 -5.691 10.628 -3.400 1.00 0.00 C ATOM 723 O GLN A 73 -6.024 11.796 -3.598 1.00 0.00 O ATOM 724 CB GLN A 73 -7.635 9.414 -2.384 1.00 0.00 C ATOM 725 CG GLN A 73 -6.958 9.345 -1.075 1.00 0.00 C ATOM 726 CD GLN A 73 -7.910 9.222 0.044 1.00 0.00 C ATOM 727 OE1 GLN A 73 -8.973 8.607 -0.064 1.00 0.00 O ATOM 728 NE2 GLN A 73 -7.576 9.854 1.087 1.00 0.00 N ATOM 0 H GLN A 73 -5.957 7.630 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.277 9.669 -4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.282 10.291 -2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.278 8.541 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.278 8.493 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.351 10.239 -0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.683 10.346 1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.199 9.872 1.894 1.00 0.00 H new ATOM 737 N LEU A 74 -4.476 10.286 -3.012 1.00 0.00 N ATOM 738 CA LEU A 74 -3.403 11.248 -2.885 1.00 0.00 C ATOM 739 C LEU A 74 -2.886 11.589 -4.279 1.00 0.00 C ATOM 740 O LEU A 74 -2.398 12.697 -4.530 1.00 0.00 O ATOM 741 CB LEU A 74 -2.320 10.652 -1.968 1.00 0.00 C ATOM 742 CG LEU A 74 -1.081 11.492 -1.577 1.00 0.00 C ATOM 743 CD1 LEU A 74 -0.375 10.818 -0.423 1.00 0.00 C ATOM 744 CD2 LEU A 74 -0.098 11.601 -2.726 1.00 0.00 C ATOM 0 H LEU A 74 -4.208 9.331 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.741 12.179 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.811 10.350 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.956 9.743 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.424 12.491 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.500 11.403 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.054 10.746 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.062 9.818 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.760 12.198 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.238 10.605 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.584 12.079 -3.576 1.00 0.00 H new ATOM 756 N SER A 75 -3.036 10.633 -5.184 1.00 0.00 N ATOM 757 CA SER A 75 -2.639 10.790 -6.563 1.00 0.00 C ATOM 758 C SER A 75 -3.599 11.774 -7.265 1.00 0.00 C ATOM 759 O SER A 75 -4.707 12.017 -6.783 1.00 0.00 O ATOM 760 CB SER A 75 -2.661 9.421 -7.252 1.00 0.00 C ATOM 761 OG SER A 75 -1.825 8.486 -6.563 1.00 0.00 O ATOM 0 H SER A 75 -3.441 9.721 -4.973 1.00 0.00 H new ATOM 0 HA SER A 75 -1.628 11.194 -6.620 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.683 9.044 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.324 9.524 -8.284 1.00 0.00 H new ATOM 0 HG SER A 75 -2.181 8.330 -5.664 1.00 0.00 H new ATOM 767 N VAL A 76 -3.187 12.319 -8.390 1.00 0.00 N ATOM 768 CA VAL A 76 -3.979 13.335 -9.070 1.00 0.00 C ATOM 769 C VAL A 76 -4.990 12.716 -10.037 1.00 0.00 C ATOM 770 O VAL A 76 -6.168 13.075 -10.032 1.00 0.00 O ATOM 771 CB VAL A 76 -3.073 14.326 -9.849 1.00 0.00 C ATOM 772 CG1 VAL A 76 -3.893 15.431 -10.511 1.00 0.00 C ATOM 773 CG2 VAL A 76 -2.004 14.915 -8.945 1.00 0.00 C ATOM 0 H VAL A 76 -2.312 12.080 -8.856 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.522 13.875 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.577 13.763 -10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.227 16.107 -11.048 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.602 14.988 -11.211 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.437 15.988 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.384 15.605 -9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.478 15.449 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.382 14.113 -8.547 1.00 0.00 H new ATOM 783 N GLU A 77 -4.520 11.776 -10.834 1.00 0.00 N ATOM 784 CA GLU A 77 -5.310 11.164 -11.904 1.00 0.00 C ATOM 785 C GLU A 77 -6.591 10.406 -11.423 1.00 0.00 C ATOM 786 O GLU A 77 -7.670 10.669 -11.944 1.00 0.00 O ATOM 787 CB GLU A 77 -4.419 10.291 -12.803 1.00 0.00 C ATOM 788 CG GLU A 77 -5.135 9.633 -13.964 1.00 0.00 C ATOM 789 CD GLU A 77 -4.204 8.817 -14.809 1.00 0.00 C ATOM 790 OE1 GLU A 77 -4.008 7.621 -14.513 1.00 0.00 O ATOM 791 OE2 GLU A 77 -3.644 9.360 -15.786 1.00 0.00 O ATOM 0 H GLU A 77 -3.572 11.407 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.702 11.991 -12.496 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.610 10.907 -13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.960 9.515 -12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.932 8.995 -13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.606 10.399 -14.580 1.00 0.00 H new ATOM 798 N PRO A 78 -6.508 9.461 -10.444 1.00 0.00 N ATOM 799 CA PRO A 78 -7.688 8.728 -9.980 1.00 0.00 C ATOM 800 C PRO A 78 -8.583 9.598 -9.091 1.00 0.00 C ATOM 801 O PRO A 78 -8.128 10.611 -8.555 1.00 0.00 O ATOM 802 CB PRO A 78 -7.101 7.559 -9.168 1.00 0.00 C ATOM 803 CG PRO A 78 -5.625 7.603 -9.420 1.00 0.00 C ATOM 804 CD PRO A 78 -5.312 9.029 -9.723 1.00 0.00 C ATOM 0 HA PRO A 78 -8.319 8.405 -10.808 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.322 7.668 -8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.526 6.607 -9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.068 7.256 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.350 6.956 -10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.150 9.612 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.412 9.128 -10.330 1.00 0.00 H new ATOM 812 N TYR A 79 -9.849 9.185 -8.946 1.00 0.00 N ATOM 813 CA TYR A 79 -10.872 9.893 -8.150 1.00 0.00 C ATOM 814 C TYR A 79 -11.219 11.265 -8.713 1.00 0.00 C ATOM 815 O TYR A 79 -10.385 12.175 -8.765 1.00 0.00 O ATOM 816 CB TYR A 79 -10.516 10.004 -6.655 1.00 0.00 C ATOM 817 CG TYR A 79 -10.468 8.690 -5.913 1.00 0.00 C ATOM 818 CD1 TYR A 79 -11.636 8.085 -5.467 1.00 0.00 C ATOM 819 CD2 TYR A 79 -9.268 8.061 -5.652 1.00 0.00 C ATOM 820 CE1 TYR A 79 -11.602 6.887 -4.781 1.00 0.00 C ATOM 821 CE2 TYR A 79 -9.226 6.864 -4.967 1.00 0.00 C ATOM 822 CZ TYR A 79 -10.392 6.283 -4.534 1.00 0.00 C ATOM 823 OH TYR A 79 -10.347 5.085 -3.851 1.00 0.00 O ATOM 0 H TYR A 79 -10.202 8.334 -9.385 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.759 9.264 -8.229 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.546 10.492 -6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.246 10.652 -6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.587 8.559 -5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.347 8.513 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.519 6.428 -4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.278 6.385 -4.772 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.469 4.668 -3.979 1.00 0.00 H new ATOM 833 N SER A 80 -12.444 11.406 -9.136 1.00 0.00 N ATOM 834 CA SER A 80 -12.944 12.645 -9.636 1.00 0.00 C ATOM 835 C SER A 80 -13.209 13.561 -8.456 1.00 0.00 C ATOM 836 O SER A 80 -14.181 13.364 -7.691 1.00 0.00 O ATOM 837 CB SER A 80 -14.208 12.388 -10.459 1.00 0.00 C ATOM 838 OG SER A 80 -13.923 11.496 -11.541 1.00 0.00 O ATOM 0 H SER A 80 -13.129 10.650 -9.141 1.00 0.00 H new ATOM 0 HA SER A 80 -12.220 13.127 -10.293 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.984 11.963 -9.823 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.595 13.330 -10.848 1.00 0.00 H new ATOM 0 HG SER A 80 -14.740 11.338 -12.059 1.00 0.00 H new ATOM 844 N GLN A 81 -12.316 14.514 -8.279 1.00 0.00 N ATOM 845 CA GLN A 81 -12.336 15.423 -7.142 1.00 0.00 C ATOM 846 C GLN A 81 -13.484 16.441 -7.201 1.00 0.00 C ATOM 847 O GLN A 81 -13.298 17.614 -7.534 1.00 0.00 O ATOM 848 CB GLN A 81 -10.971 16.089 -6.916 1.00 0.00 C ATOM 849 CG GLN A 81 -10.888 16.957 -5.677 1.00 0.00 C ATOM 850 CD GLN A 81 -9.517 17.554 -5.478 1.00 0.00 C ATOM 851 OE1 GLN A 81 -8.779 17.817 -6.435 1.00 0.00 O ATOM 852 NE2 GLN A 81 -9.163 17.773 -4.248 1.00 0.00 N ATOM 0 H GLN A 81 -11.546 14.684 -8.926 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.538 14.807 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.209 15.312 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.731 16.699 -7.787 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.622 17.759 -5.750 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.152 16.362 -4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.800 17.543 -3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.248 18.175 -4.045 1.00 0.00 H new ATOM 861 N GLU A 82 -14.657 15.910 -6.953 1.00 0.00 N ATOM 862 CA GLU A 82 -15.950 16.592 -6.826 1.00 0.00 C ATOM 863 C GLU A 82 -16.856 15.609 -6.142 1.00 0.00 C ATOM 864 O GLU A 82 -17.433 15.875 -5.090 1.00 0.00 O ATOM 865 CB GLU A 82 -16.580 16.968 -8.187 1.00 0.00 C ATOM 866 CG GLU A 82 -15.863 18.041 -8.969 1.00 0.00 C ATOM 867 CD GLU A 82 -16.503 18.298 -10.294 1.00 0.00 C ATOM 868 OE1 GLU A 82 -16.206 17.561 -11.250 1.00 0.00 O ATOM 869 OE2 GLU A 82 -17.330 19.231 -10.402 1.00 0.00 O ATOM 0 H GLU A 82 -14.754 14.903 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.812 17.526 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.632 16.070 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.605 17.295 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.850 18.964 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.825 17.745 -9.120 1.00 0.00 H new ATOM 876 N GLU A 83 -16.926 14.449 -6.745 1.00 0.00 N ATOM 877 CA GLU A 83 -17.696 13.340 -6.232 1.00 0.00 C ATOM 878 C GLU A 83 -16.928 12.669 -5.117 1.00 0.00 C ATOM 879 O GLU A 83 -17.505 12.143 -4.171 1.00 0.00 O ATOM 880 CB GLU A 83 -17.994 12.348 -7.348 1.00 0.00 C ATOM 881 CG GLU A 83 -18.779 12.955 -8.499 1.00 0.00 C ATOM 882 CD GLU A 83 -20.097 13.531 -8.048 1.00 0.00 C ATOM 883 OE1 GLU A 83 -21.054 12.758 -7.859 1.00 0.00 O ATOM 884 OE2 GLU A 83 -20.187 14.764 -7.857 1.00 0.00 O ATOM 0 H GLU A 83 -16.443 14.244 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 83 -18.644 13.707 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.055 11.948 -7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.555 11.508 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.184 13.738 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.958 12.192 -9.257 1.00 0.00 H new ATOM 891 N ALA A 84 -15.630 12.680 -5.240 1.00 0.00 N ATOM 892 CA ALA A 84 -14.768 12.175 -4.220 1.00 0.00 C ATOM 893 C ALA A 84 -13.718 13.219 -3.920 1.00 0.00 C ATOM 894 O ALA A 84 -12.806 13.431 -4.720 1.00 0.00 O ATOM 895 CB ALA A 84 -14.128 10.861 -4.659 1.00 0.00 C ATOM 0 H ALA A 84 -15.142 13.043 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.342 11.968 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.475 10.492 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.907 10.125 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -13.544 11.025 -5.565 1.00 0.00 H new ATOM 901 N GLU A 85 -13.861 13.906 -2.804 1.00 0.00 N ATOM 902 CA GLU A 85 -12.931 14.946 -2.448 1.00 0.00 C ATOM 903 C GLU A 85 -12.206 14.631 -1.158 1.00 0.00 C ATOM 904 O GLU A 85 -12.459 15.258 -0.127 1.00 0.00 O ATOM 905 CB GLU A 85 -13.579 16.338 -2.370 1.00 0.00 C ATOM 906 CG GLU A 85 -14.230 16.812 -3.653 1.00 0.00 C ATOM 907 CD GLU A 85 -14.736 18.231 -3.549 1.00 0.00 C ATOM 908 OE1 GLU A 85 -15.840 18.452 -2.986 1.00 0.00 O ATOM 909 OE2 GLU A 85 -14.040 19.143 -4.004 1.00 0.00 O ATOM 0 H GLU A 85 -14.614 13.759 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.204 14.977 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.330 16.329 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.818 17.061 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.511 16.744 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.059 16.150 -3.903 1.00 0.00 H new ATOM 916 N ARG A 86 -11.396 13.574 -1.204 1.00 0.00 N ATOM 917 CA ARG A 86 -10.466 13.165 -0.113 1.00 0.00 C ATOM 918 C ARG A 86 -11.179 12.601 1.151 1.00 0.00 C ATOM 919 O ARG A 86 -10.579 11.826 1.913 1.00 0.00 O ATOM 920 CB ARG A 86 -9.542 14.344 0.248 1.00 0.00 C ATOM 921 CG ARG A 86 -8.446 14.032 1.246 1.00 0.00 C ATOM 922 CD ARG A 86 -7.613 15.267 1.524 1.00 0.00 C ATOM 923 NE ARG A 86 -6.983 15.803 0.307 1.00 0.00 N ATOM 924 CZ ARG A 86 -6.221 16.905 0.270 1.00 0.00 C ATOM 925 NH1 ARG A 86 -5.962 17.571 1.387 1.00 0.00 N ATOM 926 NH2 ARG A 86 -5.720 17.339 -0.882 1.00 0.00 N ATOM 0 H ARG A 86 -11.355 12.954 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.875 12.334 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.081 14.715 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.154 15.153 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.885 13.666 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.809 13.236 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.244 16.035 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.840 15.024 2.253 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.137 15.302 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.343 17.245 2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.382 18.410 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.915 16.833 -1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.141 18.178 -0.902 1.00 0.00 H new ATOM 940 N ALA A 87 -12.433 12.997 1.348 1.00 0.00 N ATOM 941 CA ALA A 87 -13.266 12.611 2.485 1.00 0.00 C ATOM 942 C ALA A 87 -12.804 13.283 3.756 1.00 0.00 C ATOM 943 O ALA A 87 -11.972 12.763 4.494 1.00 0.00 O ATOM 944 CB ALA A 87 -13.407 11.095 2.648 1.00 0.00 C ATOM 0 H ALA A 87 -12.915 13.618 0.698 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.271 12.971 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.038 10.879 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.861 10.673 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.422 10.652 2.798 1.00 0.00 H new ATOM 950 N ALA A 88 -13.312 14.467 3.982 1.00 0.00 N ATOM 951 CA ALA A 88 -12.952 15.235 5.154 1.00 0.00 C ATOM 952 C ALA A 88 -13.883 14.910 6.302 1.00 0.00 C ATOM 953 O ALA A 88 -13.545 15.093 7.465 1.00 0.00 O ATOM 954 CB ALA A 88 -12.988 16.723 4.844 1.00 0.00 C ATOM 0 H ALA A 88 -13.982 14.927 3.366 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.936 14.968 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.715 17.287 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.282 16.945 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -13.993 17.005 4.530 1.00 0.00 H new ATOM 960 N GLY A 89 -15.064 14.432 5.963 1.00 0.00 N ATOM 961 CA GLY A 89 -16.068 14.086 6.961 1.00 0.00 C ATOM 962 C GLY A 89 -16.910 15.284 7.351 1.00 0.00 C ATOM 963 O GLY A 89 -17.983 15.144 7.948 1.00 0.00 O ATOM 0 H GLY A 89 -15.357 14.272 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.714 13.300 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -15.576 13.683 7.847 1.00 0.00 H new ATOM 967 N MET A 90 -16.430 16.456 6.991 1.00 0.00 N ATOM 968 CA MET A 90 -17.080 17.701 7.324 1.00 0.00 C ATOM 969 C MET A 90 -18.091 18.064 6.256 1.00 0.00 C ATOM 970 O MET A 90 -17.820 17.920 5.055 1.00 0.00 O ATOM 971 CB MET A 90 -16.042 18.823 7.474 1.00 0.00 C ATOM 972 CG MET A 90 -14.999 18.562 8.553 1.00 0.00 C ATOM 973 SD MET A 90 -13.771 19.878 8.683 1.00 0.00 S ATOM 974 CE MET A 90 -12.715 19.208 9.968 1.00 0.00 C ATOM 0 H MET A 90 -15.570 16.570 6.454 1.00 0.00 H new ATOM 0 HA MET A 90 -17.600 17.579 8.274 1.00 0.00 H new ATOM 0 HB2 MET A 90 -15.535 18.965 6.520 1.00 0.00 H new ATOM 0 HB3 MET A 90 -16.560 19.755 7.701 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.500 18.445 9.514 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.493 17.620 8.341 1.00 0.00 H new ATOM 0 HE1 MET A 90 -11.901 19.904 10.169 1.00 0.00 H new ATOM 0 HE2 MET A 90 -13.298 19.059 10.877 1.00 0.00 H new ATOM 0 HE3 MET A 90 -12.304 18.253 9.640 1.00 0.00 H new ATOM 984 N GLY A 91 -19.241 18.504 6.686 1.00 0.00 N ATOM 985 CA GLY A 91 -20.283 18.889 5.776 1.00 0.00 C ATOM 986 C GLY A 91 -21.446 19.491 6.515 1.00 0.00 C ATOM 987 O GLY A 91 -21.653 20.710 6.487 1.00 0.00 O ATOM 0 H GLY A 91 -19.481 18.605 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -19.894 19.608 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.617 18.019 5.211 1.00 0.00 H new ATOM 991 N SER A 92 -22.192 18.659 7.188 1.00 0.00 N ATOM 992 CA SER A 92 -23.320 19.108 7.955 1.00 0.00 C ATOM 993 C SER A 92 -22.859 19.615 9.318 1.00 0.00 C ATOM 994 O SER A 92 -22.589 18.824 10.236 1.00 0.00 O ATOM 995 CB SER A 92 -24.328 17.970 8.091 1.00 0.00 C ATOM 996 OG SER A 92 -23.696 16.805 8.615 1.00 0.00 O ATOM 0 H SER A 92 -22.035 17.652 7.220 1.00 0.00 H new ATOM 0 HA SER A 92 -23.808 19.937 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 92 -25.144 18.275 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 92 -24.767 17.747 7.119 1.00 0.00 H new ATOM 0 HG SER A 92 -23.095 17.060 9.346 1.00 0.00 H new ATOM 1002 N TYR A 93 -22.743 20.910 9.438 1.00 0.00 N ATOM 1003 CA TYR A 93 -22.263 21.521 10.645 1.00 0.00 C ATOM 1004 C TYR A 93 -22.952 22.855 10.813 1.00 0.00 C ATOM 1005 O TYR A 93 -23.155 23.579 9.838 1.00 0.00 O ATOM 1006 CB TYR A 93 -20.742 21.699 10.554 1.00 0.00 C ATOM 1007 CG TYR A 93 -20.072 22.203 11.812 1.00 0.00 C ATOM 1008 CD1 TYR A 93 -19.624 21.319 12.772 1.00 0.00 C ATOM 1009 CD2 TYR A 93 -19.873 23.551 12.025 1.00 0.00 C ATOM 1010 CE1 TYR A 93 -18.998 21.762 13.913 1.00 0.00 C ATOM 1011 CE2 TYR A 93 -19.252 24.009 13.166 1.00 0.00 C ATOM 1012 CZ TYR A 93 -18.815 23.109 14.107 1.00 0.00 C ATOM 1013 OH TYR A 93 -18.182 23.561 15.251 1.00 0.00 O ATOM 0 H TYR A 93 -22.980 21.572 8.699 1.00 0.00 H new ATOM 0 HA TYR A 93 -22.483 20.893 11.509 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -20.297 20.741 10.284 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -20.522 22.393 9.743 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -19.768 20.259 12.624 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -20.210 24.260 11.284 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -18.652 21.055 14.652 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -19.110 25.069 13.320 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.132 24.540 15.232 1.00 0.00 H new ATOM 1023 N VAL A 94 -23.327 23.167 12.020 1.00 0.00 N ATOM 1024 CA VAL A 94 -24.022 24.400 12.299 1.00 0.00 C ATOM 1025 C VAL A 94 -23.078 25.390 12.966 1.00 0.00 C ATOM 1026 O VAL A 94 -22.558 26.279 12.275 1.00 0.00 O ATOM 1027 CB VAL A 94 -25.285 24.175 13.176 1.00 0.00 C ATOM 1028 CG1 VAL A 94 -26.010 25.487 13.443 1.00 0.00 C ATOM 1029 CG2 VAL A 94 -26.226 23.178 12.517 1.00 0.00 C ATOM 0 H VAL A 94 -23.163 22.580 12.838 1.00 0.00 H new ATOM 0 HA VAL A 94 -24.362 24.810 11.348 1.00 0.00 H new ATOM 0 HB VAL A 94 -24.957 23.767 14.132 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -26.889 25.298 14.059 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -25.342 26.172 13.965 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -26.319 25.931 12.497 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -27.104 23.035 13.147 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -26.536 23.559 11.544 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -25.713 22.225 12.387 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.783 1.854 3.577 1.00 0.00 ZN