USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 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= -0.362 (180deg=-0.165) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.514 K(o=-0.88,f=-9.6!) USER MOD Single : A 30 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.21) USER MOD Single : A 43 HIS : no HD1:sc= -0.843 K(o=-0.84,f=-1.7!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 84:sc= 0.928 USER MOD Single : A 57 ASN : amide:sc= -0.0966 K(o=-0.097,f=-1.5!) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc=-0.00891 (180deg=-0.217) USER MOD Single : A 60 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0.579 (180deg=0.424) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 55:sc= 1.09 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.0738 K(o=0.074,f=-0.66) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 20.663 -15.714 -9.195 1.00 0.00 N ATOM 2 CA ASP A 28 20.031 -14.617 -8.452 1.00 0.00 C ATOM 3 C ASP A 28 21.148 -13.844 -7.793 1.00 0.00 C ATOM 4 O ASP A 28 22.221 -14.421 -7.580 1.00 0.00 O ATOM 5 CB ASP A 28 19.095 -15.201 -7.363 1.00 0.00 C ATOM 6 CG ASP A 28 18.194 -14.181 -6.723 1.00 0.00 C ATOM 7 OD1 ASP A 28 17.103 -13.890 -7.291 1.00 0.00 O ATOM 8 OD2 ASP A 28 18.524 -13.668 -5.658 1.00 0.00 O ATOM 0 HA ASP A 28 19.441 -13.980 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.482 -15.985 -7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 28 19.702 -15.671 -6.590 1.00 0.00 H new ATOM 13 N PRO A 29 20.982 -12.523 -7.522 1.00 0.00 N ATOM 14 CA PRO A 29 21.972 -11.750 -6.761 1.00 0.00 C ATOM 15 C PRO A 29 22.331 -12.446 -5.428 1.00 0.00 C ATOM 16 O PRO A 29 21.607 -13.341 -4.959 1.00 0.00 O ATOM 17 CB PRO A 29 21.251 -10.427 -6.492 1.00 0.00 C ATOM 18 CG PRO A 29 20.311 -10.281 -7.635 1.00 0.00 C ATOM 19 CD PRO A 29 19.862 -11.673 -7.982 1.00 0.00 C ATOM 0 HA PRO A 29 22.914 -11.634 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 29 20.720 -10.450 -5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 29 21.953 -9.594 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 29 19.462 -9.653 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 29 20.801 -9.806 -8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.930 -11.931 -7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 29 19.688 -11.783 -9.052 1.00 0.00 H new ATOM 27 N ASN A 30 23.426 -12.029 -4.819 1.00 0.00 N ATOM 28 CA ASN A 30 23.911 -12.647 -3.576 1.00 0.00 C ATOM 29 C ASN A 30 22.884 -12.503 -2.441 1.00 0.00 C ATOM 30 O ASN A 30 22.857 -13.303 -1.495 1.00 0.00 O ATOM 31 CB ASN A 30 25.288 -12.081 -3.195 1.00 0.00 C ATOM 32 CG ASN A 30 25.911 -12.745 -1.977 1.00 0.00 C ATOM 33 OD1 ASN A 30 26.578 -13.766 -2.090 1.00 0.00 O ATOM 34 ND2 ASN A 30 25.753 -12.154 -0.829 1.00 0.00 N ATOM 0 H ASN A 30 24.006 -11.262 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 30 24.034 -13.716 -3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.963 -12.193 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.191 -11.012 -3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 30 26.190 -12.540 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 30 25.192 -11.305 -0.766 1.00 0.00 H new ATOM 41 N ALA A 31 22.036 -11.479 -2.563 1.00 0.00 N ATOM 42 CA ALA A 31 20.893 -11.237 -1.675 1.00 0.00 C ATOM 43 C ALA A 31 21.325 -10.824 -0.284 1.00 0.00 C ATOM 44 O ALA A 31 20.626 -11.037 0.708 1.00 0.00 O ATOM 45 CB ALA A 31 19.939 -12.431 -1.670 1.00 0.00 C ATOM 0 H ALA A 31 22.126 -10.778 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 31 20.338 -10.388 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 31 19.101 -12.225 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.566 -12.603 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 20.468 -13.318 -1.323 1.00 0.00 H new ATOM 51 N GLU A 32 22.412 -10.152 -0.245 1.00 0.00 N ATOM 52 CA GLU A 32 22.974 -9.653 0.958 1.00 0.00 C ATOM 53 C GLU A 32 23.246 -8.211 0.757 1.00 0.00 C ATOM 54 O GLU A 32 23.911 -7.809 -0.204 1.00 0.00 O ATOM 55 CB GLU A 32 24.212 -10.452 1.361 1.00 0.00 C ATOM 56 CG GLU A 32 24.923 -10.105 2.690 1.00 0.00 C ATOM 57 CD GLU A 32 25.667 -8.779 2.701 1.00 0.00 C ATOM 58 OE1 GLU A 32 26.413 -8.488 1.735 1.00 0.00 O ATOM 59 OE2 GLU A 32 25.569 -8.039 3.693 1.00 0.00 O ATOM 0 H GLU A 32 22.957 -9.924 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 32 22.281 -9.767 1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 32 23.927 -11.503 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.944 -10.353 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.181 -10.093 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.630 -10.901 2.924 1.00 0.00 H new ATOM 66 N PHE A 33 22.719 -7.454 1.627 1.00 0.00 N ATOM 67 CA PHE A 33 22.776 -6.018 1.553 1.00 0.00 C ATOM 68 C PHE A 33 23.089 -5.472 2.923 1.00 0.00 C ATOM 69 O PHE A 33 23.329 -6.248 3.850 1.00 0.00 O ATOM 70 CB PHE A 33 21.442 -5.446 1.027 1.00 0.00 C ATOM 71 CG PHE A 33 21.030 -5.998 -0.318 1.00 0.00 C ATOM 72 CD1 PHE A 33 21.703 -5.632 -1.473 1.00 0.00 C ATOM 73 CD2 PHE A 33 19.980 -6.900 -0.422 1.00 0.00 C ATOM 74 CE1 PHE A 33 21.335 -6.152 -2.701 1.00 0.00 C ATOM 75 CE2 PHE A 33 19.610 -7.422 -1.646 1.00 0.00 C ATOM 76 CZ PHE A 33 20.288 -7.046 -2.786 1.00 0.00 C ATOM 0 H PHE A 33 22.216 -7.804 2.443 1.00 0.00 H new ATOM 0 HA PHE A 33 23.559 -5.720 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 33 20.656 -5.657 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 33 21.526 -4.362 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 33 22.524 -4.933 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 33 19.445 -7.198 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.868 -5.858 -3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.791 -8.123 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 33 20.000 -7.451 -3.745 1.00 0.00 H new ATOM 86 N ASP A 34 23.091 -4.158 3.053 1.00 0.00 N ATOM 87 CA ASP A 34 23.428 -3.482 4.318 1.00 0.00 C ATOM 88 C ASP A 34 22.591 -4.048 5.482 1.00 0.00 C ATOM 89 O ASP A 34 21.368 -4.068 5.406 1.00 0.00 O ATOM 90 CB ASP A 34 23.169 -1.981 4.196 1.00 0.00 C ATOM 91 CG ASP A 34 23.668 -1.225 5.391 1.00 0.00 C ATOM 92 OD1 ASP A 34 23.049 -1.296 6.438 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.719 -0.540 5.275 1.00 0.00 O ATOM 0 H ASP A 34 22.861 -3.519 2.292 1.00 0.00 H new ATOM 0 HA ASP A 34 24.484 -3.657 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 34 23.656 -1.601 3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 34 22.100 -1.806 4.077 1.00 0.00 H new ATOM 98 N PRO A 35 23.241 -4.546 6.552 1.00 0.00 N ATOM 99 CA PRO A 35 22.545 -5.139 7.697 1.00 0.00 C ATOM 100 C PRO A 35 22.003 -4.110 8.693 1.00 0.00 C ATOM 101 O PRO A 35 21.156 -4.438 9.535 1.00 0.00 O ATOM 102 CB PRO A 35 23.615 -6.004 8.342 1.00 0.00 C ATOM 103 CG PRO A 35 24.882 -5.275 8.065 1.00 0.00 C ATOM 104 CD PRO A 35 24.705 -4.607 6.721 1.00 0.00 C ATOM 0 HA PRO A 35 21.656 -5.685 7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 35 23.445 -6.117 9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 35 23.629 -7.006 7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.083 -4.537 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 35 25.729 -5.961 8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.152 -3.613 6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.177 -5.181 5.923 1.00 0.00 H new ATOM 112 N ASP A 36 22.451 -2.887 8.595 1.00 0.00 N ATOM 113 CA ASP A 36 21.994 -1.849 9.499 1.00 0.00 C ATOM 114 C ASP A 36 20.674 -1.310 8.994 1.00 0.00 C ATOM 115 O ASP A 36 19.790 -0.930 9.764 1.00 0.00 O ATOM 116 CB ASP A 36 23.038 -0.737 9.631 1.00 0.00 C ATOM 117 CG ASP A 36 22.593 0.389 10.538 1.00 0.00 C ATOM 118 OD1 ASP A 36 22.539 0.196 11.771 1.00 0.00 O ATOM 119 OD2 ASP A 36 22.295 1.495 10.035 1.00 0.00 O ATOM 0 H ASP A 36 23.132 -2.579 7.901 1.00 0.00 H new ATOM 0 HA ASP A 36 21.852 -2.269 10.495 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.965 -1.161 10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.258 -0.334 8.642 1.00 0.00 H new ATOM 124 N LEU A 37 20.536 -1.306 7.707 1.00 0.00 N ATOM 125 CA LEU A 37 19.309 -0.906 7.076 1.00 0.00 C ATOM 126 C LEU A 37 18.428 -2.132 6.815 1.00 0.00 C ATOM 127 O LEU A 37 18.912 -3.158 6.326 1.00 0.00 O ATOM 128 CB LEU A 37 19.572 -0.134 5.764 1.00 0.00 C ATOM 129 CG LEU A 37 20.076 1.336 5.863 1.00 0.00 C ATOM 130 CD1 LEU A 37 21.412 1.458 6.579 1.00 0.00 C ATOM 131 CD2 LEU A 37 20.164 1.951 4.479 1.00 0.00 C ATOM 0 H LEU A 37 21.272 -1.581 7.056 1.00 0.00 H new ATOM 0 HA LEU A 37 18.785 -0.231 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.304 -0.699 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.646 -0.130 5.189 1.00 0.00 H new ATOM 0 HG LEU A 37 19.347 1.881 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.710 2.506 6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.318 1.071 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.167 0.885 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.517 2.979 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.859 1.375 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.179 1.942 4.013 1.00 0.00 H new ATOM 143 N PRO A 38 17.137 -2.068 7.168 1.00 0.00 N ATOM 144 CA PRO A 38 16.200 -3.178 6.942 1.00 0.00 C ATOM 145 C PRO A 38 16.048 -3.468 5.451 1.00 0.00 C ATOM 146 O PRO A 38 15.666 -2.583 4.670 1.00 0.00 O ATOM 147 CB PRO A 38 14.879 -2.665 7.524 1.00 0.00 C ATOM 148 CG PRO A 38 15.269 -1.553 8.435 1.00 0.00 C ATOM 149 CD PRO A 38 16.482 -0.926 7.817 1.00 0.00 C ATOM 0 HA PRO A 38 16.535 -4.108 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.210 -2.316 6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.353 -3.452 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.462 -0.828 8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.488 -1.926 9.436 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.216 -0.150 7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.124 -0.462 8.565 1.00 0.00 H new ATOM 157 N GLY A 39 16.390 -4.686 5.056 1.00 0.00 N ATOM 158 CA GLY A 39 16.326 -5.069 3.661 1.00 0.00 C ATOM 159 C GLY A 39 17.318 -4.294 2.834 1.00 0.00 C ATOM 160 O GLY A 39 17.086 -4.026 1.648 1.00 0.00 O ATOM 0 H GLY A 39 16.714 -5.422 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.525 -6.136 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.319 -4.897 3.280 1.00 0.00 H new ATOM 164 N GLY A 40 18.407 -3.879 3.480 1.00 0.00 N ATOM 165 CA GLY A 40 19.429 -3.089 2.825 1.00 0.00 C ATOM 166 C GLY A 40 18.944 -1.690 2.515 1.00 0.00 C ATOM 167 O GLY A 40 19.618 -0.929 1.836 1.00 0.00 O ATOM 0 H GLY A 40 18.598 -4.082 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.311 -3.035 3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.733 -3.581 1.901 1.00 0.00 H new ATOM 171 N GLY A 41 17.756 -1.362 3.017 1.00 0.00 N ATOM 172 CA GLY A 41 17.146 -0.087 2.752 1.00 0.00 C ATOM 173 C GLY A 41 16.539 -0.042 1.363 1.00 0.00 C ATOM 174 O GLY A 41 16.013 0.980 0.935 1.00 0.00 O ATOM 0 H GLY A 41 17.202 -1.977 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.373 0.110 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.891 0.702 2.851 1.00 0.00 H new ATOM 178 N LEU A 42 16.588 -1.166 0.672 1.00 0.00 N ATOM 179 CA LEU A 42 16.149 -1.249 -0.690 1.00 0.00 C ATOM 180 C LEU A 42 14.662 -1.505 -0.786 1.00 0.00 C ATOM 181 O LEU A 42 14.027 -1.153 -1.773 1.00 0.00 O ATOM 182 CB LEU A 42 16.913 -2.356 -1.402 1.00 0.00 C ATOM 183 CG LEU A 42 18.440 -2.240 -1.404 1.00 0.00 C ATOM 184 CD1 LEU A 42 19.058 -3.380 -2.174 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.887 -0.918 -1.979 1.00 0.00 C ATOM 0 H LEU A 42 16.937 -2.046 1.051 1.00 0.00 H new ATOM 0 HA LEU A 42 16.349 -0.290 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.644 -3.307 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.572 -2.395 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 42 18.778 -2.291 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.143 -3.280 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.777 -4.326 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.701 -3.359 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.976 -0.865 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.531 -0.828 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.478 -0.104 -1.381 1.00 0.00 H new ATOM 197 N HIS A 43 14.107 -2.080 0.238 1.00 0.00 N ATOM 198 CA HIS A 43 12.714 -2.436 0.223 1.00 0.00 C ATOM 199 C HIS A 43 11.989 -1.535 1.154 1.00 0.00 C ATOM 200 O HIS A 43 11.992 -1.742 2.373 1.00 0.00 O ATOM 201 CB HIS A 43 12.472 -3.885 0.651 1.00 0.00 C ATOM 202 CG HIS A 43 13.299 -4.913 -0.050 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.919 -5.514 -1.217 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.478 -5.474 0.289 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.814 -6.404 -1.560 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.774 -6.398 -0.664 1.00 0.00 N ATOM 0 H HIS A 43 14.598 -2.315 1.101 1.00 0.00 H new ATOM 0 HA HIS A 43 12.354 -2.333 -0.801 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.658 -3.964 1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.420 -4.121 0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 43 15.076 -5.234 1.156 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.771 -7.038 -2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.605 -6.989 -0.680 1.00 0.00 H new ATOM 215 N ARG A 44 11.427 -0.519 0.615 1.00 0.00 N ATOM 216 CA ARG A 44 10.706 0.425 1.382 1.00 0.00 C ATOM 217 C ARG A 44 9.465 0.868 0.696 1.00 0.00 C ATOM 218 O ARG A 44 9.369 0.886 -0.539 1.00 0.00 O ATOM 219 CB ARG A 44 11.527 1.673 1.725 1.00 0.00 C ATOM 220 CG ARG A 44 12.006 2.535 0.540 1.00 0.00 C ATOM 221 CD ARG A 44 13.091 1.873 -0.294 1.00 0.00 C ATOM 222 NE ARG A 44 13.400 2.655 -1.493 1.00 0.00 N ATOM 223 CZ ARG A 44 14.628 2.877 -1.980 1.00 0.00 C ATOM 224 NH1 ARG A 44 15.704 2.449 -1.326 1.00 0.00 N ATOM 225 NH2 ARG A 44 14.774 3.537 -3.119 1.00 0.00 N ATOM 0 H ARG A 44 11.455 -0.317 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 44 10.458 -0.101 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.929 2.303 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.403 1.359 2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.154 2.762 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.381 3.485 0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.993 1.756 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.769 0.873 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 44 12.615 3.065 -1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.599 1.946 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.634 2.623 -1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.953 3.874 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.707 3.708 -3.493 1.00 0.00 H new ATOM 239 N CYS A 45 8.524 1.197 1.486 1.00 0.00 N ATOM 240 CA CYS A 45 7.328 1.824 1.026 1.00 0.00 C ATOM 241 C CYS A 45 7.518 3.307 1.229 1.00 0.00 C ATOM 242 O CYS A 45 7.657 3.750 2.365 1.00 0.00 O ATOM 243 CB CYS A 45 6.095 1.296 1.794 1.00 0.00 C ATOM 244 SG CYS A 45 4.543 2.246 1.526 1.00 0.00 S ATOM 0 H CYS A 45 8.552 1.040 2.494 1.00 0.00 H new ATOM 0 HA CYS A 45 7.144 1.602 -0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.923 0.259 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.323 1.296 2.860 1.00 0.00 H new ATOM 249 N LEU A 46 7.521 4.070 0.151 1.00 0.00 N ATOM 250 CA LEU A 46 7.785 5.509 0.223 1.00 0.00 C ATOM 251 C LEU A 46 6.717 6.215 1.023 1.00 0.00 C ATOM 252 O LEU A 46 7.002 7.133 1.791 1.00 0.00 O ATOM 253 CB LEU A 46 7.896 6.118 -1.177 1.00 0.00 C ATOM 254 CG LEU A 46 9.024 5.599 -2.054 1.00 0.00 C ATOM 255 CD1 LEU A 46 9.016 6.290 -3.410 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.378 5.765 -1.370 1.00 0.00 C ATOM 0 H LEU A 46 7.344 3.722 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 46 8.740 5.646 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.954 5.950 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.014 7.196 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 46 8.859 4.533 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.832 5.903 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.066 6.099 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.144 7.364 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.164 5.385 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.555 6.821 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.383 5.208 -0.433 1.00 0.00 H new ATOM 268 N ALA A 47 5.497 5.745 0.875 1.00 0.00 N ATOM 269 CA ALA A 47 4.359 6.299 1.587 1.00 0.00 C ATOM 270 C ALA A 47 4.463 6.071 3.102 1.00 0.00 C ATOM 271 O ALA A 47 3.781 6.738 3.881 1.00 0.00 O ATOM 272 CB ALA A 47 3.067 5.714 1.048 1.00 0.00 C ATOM 0 H ALA A 47 5.263 4.967 0.258 1.00 0.00 H new ATOM 0 HA ALA A 47 4.359 7.376 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.222 6.138 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.974 5.952 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.076 4.632 1.178 1.00 0.00 H new ATOM 278 N CYS A 48 5.303 5.130 3.520 1.00 0.00 N ATOM 279 CA CYS A 48 5.482 4.869 4.937 1.00 0.00 C ATOM 280 C CYS A 48 6.865 5.243 5.438 1.00 0.00 C ATOM 281 O CYS A 48 7.077 5.344 6.641 1.00 0.00 O ATOM 282 CB CYS A 48 5.098 3.422 5.317 1.00 0.00 C ATOM 283 SG CYS A 48 3.404 3.106 5.088 1.00 0.00 S ATOM 0 H CYS A 48 5.864 4.543 2.903 1.00 0.00 H new ATOM 0 HA CYS A 48 4.785 5.529 5.454 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.680 2.724 4.715 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.361 3.240 6.359 1.00 0.00 H new ATOM 288 N ALA A 49 7.809 5.431 4.505 1.00 0.00 N ATOM 289 CA ALA A 49 9.211 5.773 4.823 1.00 0.00 C ATOM 290 C ALA A 49 9.853 4.681 5.689 1.00 0.00 C ATOM 291 O ALA A 49 10.891 4.889 6.318 1.00 0.00 O ATOM 292 CB ALA A 49 9.299 7.143 5.503 1.00 0.00 C ATOM 0 H ALA A 49 7.626 5.351 3.505 1.00 0.00 H new ATOM 0 HA ALA A 49 9.769 5.831 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.341 7.372 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.895 7.906 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.724 7.127 6.429 1.00 0.00 H new ATOM 298 N ARG A 50 9.243 3.520 5.679 1.00 0.00 N ATOM 299 CA ARG A 50 9.688 2.410 6.467 1.00 0.00 C ATOM 300 C ARG A 50 10.341 1.411 5.576 1.00 0.00 C ATOM 301 O ARG A 50 9.888 1.182 4.440 1.00 0.00 O ATOM 302 CB ARG A 50 8.518 1.756 7.203 1.00 0.00 C ATOM 303 CG ARG A 50 7.789 2.693 8.142 1.00 0.00 C ATOM 304 CD ARG A 50 6.567 2.046 8.766 1.00 0.00 C ATOM 305 NE ARG A 50 5.858 2.995 9.625 1.00 0.00 N ATOM 306 CZ ARG A 50 4.569 2.922 9.975 1.00 0.00 C ATOM 307 NH1 ARG A 50 3.812 1.912 9.563 1.00 0.00 N ATOM 308 NH2 ARG A 50 4.043 3.864 10.742 1.00 0.00 N ATOM 0 H ARG A 50 8.416 3.324 5.116 1.00 0.00 H new ATOM 0 HA ARG A 50 10.399 2.771 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.811 1.368 6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.889 0.903 7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.469 3.016 8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.486 3.587 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.899 1.689 7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.868 1.176 9.349 1.00 0.00 H new ATOM 0 HE ARG A 50 6.394 3.782 9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.212 1.182 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.830 1.866 9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.620 4.641 11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.061 3.813 11.011 1.00 0.00 H new ATOM 322 N TYR A 51 11.372 0.831 6.071 1.00 0.00 N ATOM 323 CA TYR A 51 12.129 -0.122 5.383 1.00 0.00 C ATOM 324 C TYR A 51 11.809 -1.469 5.957 1.00 0.00 C ATOM 325 O TYR A 51 11.678 -1.614 7.176 1.00 0.00 O ATOM 326 CB TYR A 51 13.596 0.192 5.582 1.00 0.00 C ATOM 327 CG TYR A 51 14.004 1.557 5.093 1.00 0.00 C ATOM 328 CD1 TYR A 51 14.356 1.762 3.772 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.025 2.643 5.954 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.715 3.011 3.322 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.384 3.891 5.512 1.00 0.00 C ATOM 332 CZ TYR A 51 14.726 4.071 4.199 1.00 0.00 C ATOM 333 OH TYR A 51 15.077 5.320 3.751 1.00 0.00 O ATOM 0 H TYR A 51 11.719 1.024 7.011 1.00 0.00 H new ATOM 0 HA TYR A 51 11.902 -0.112 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.833 0.112 6.643 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.191 -0.560 5.065 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.349 0.930 3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 51 13.754 2.504 6.990 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.986 3.159 2.287 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.397 4.727 6.196 1.00 0.00 H new ATOM 0 HH TYR A 51 15.033 5.958 4.494 1.00 0.00 H new ATOM 343 N PHE A 52 11.671 -2.434 5.109 1.00 0.00 N ATOM 344 CA PHE A 52 11.308 -3.764 5.523 1.00 0.00 C ATOM 345 C PHE A 52 12.390 -4.705 5.047 1.00 0.00 C ATOM 346 O PHE A 52 13.068 -4.418 4.054 1.00 0.00 O ATOM 347 CB PHE A 52 9.972 -4.169 4.895 1.00 0.00 C ATOM 348 CG PHE A 52 8.820 -3.198 5.118 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.752 -2.016 4.399 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.802 -3.480 6.005 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.709 -1.140 4.554 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.745 -2.592 6.167 1.00 0.00 C ATOM 353 CZ PHE A 52 6.707 -1.419 5.432 1.00 0.00 C ATOM 0 H PHE A 52 11.806 -2.330 4.103 1.00 0.00 H new ATOM 0 HA PHE A 52 11.206 -3.803 6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.118 -4.292 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.685 -5.143 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.540 -1.779 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.826 -4.396 6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.682 -0.227 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.953 -2.817 6.866 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.886 -0.728 5.555 1.00 0.00 H new ATOM 363 N ILE A 53 12.543 -5.823 5.717 1.00 0.00 N ATOM 364 CA ILE A 53 13.602 -6.747 5.409 1.00 0.00 C ATOM 365 C ILE A 53 13.419 -7.476 4.076 1.00 0.00 C ATOM 366 O ILE A 53 14.393 -7.975 3.499 1.00 0.00 O ATOM 367 CB ILE A 53 13.811 -7.768 6.537 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.545 -8.608 6.783 1.00 0.00 C ATOM 369 CG2 ILE A 53 14.264 -7.066 7.809 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.703 -9.673 7.854 1.00 0.00 C ATOM 0 H ILE A 53 11.939 -6.114 6.486 1.00 0.00 H new ATOM 0 HA ILE A 53 14.494 -6.128 5.313 1.00 0.00 H new ATOM 0 HB ILE A 53 14.596 -8.457 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.730 -7.942 7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.254 -9.088 5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 53 14.408 -7.803 8.600 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.203 -6.545 7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.506 -6.346 8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.766 -10.219 7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.494 -10.365 7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.962 -9.201 8.802 1.00 0.00 H new ATOM 382 N ASP A 54 12.196 -7.545 3.571 1.00 0.00 N ATOM 383 CA ASP A 54 11.965 -8.279 2.328 1.00 0.00 C ATOM 384 C ASP A 54 10.823 -7.675 1.516 1.00 0.00 C ATOM 385 O ASP A 54 9.919 -7.059 2.073 1.00 0.00 O ATOM 386 CB ASP A 54 11.691 -9.755 2.635 1.00 0.00 C ATOM 387 CG ASP A 54 11.477 -10.578 1.400 1.00 0.00 C ATOM 388 OD1 ASP A 54 12.447 -10.918 0.735 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.326 -10.886 1.088 1.00 0.00 O ATOM 0 H ASP A 54 11.368 -7.117 3.985 1.00 0.00 H new ATOM 0 HA ASP A 54 12.867 -8.202 1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.529 -10.165 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.811 -9.831 3.273 1.00 0.00 H new ATOM 394 N SER A 55 10.872 -7.869 0.201 1.00 0.00 N ATOM 395 CA SER A 55 9.869 -7.353 -0.735 1.00 0.00 C ATOM 396 C SER A 55 8.507 -8.023 -0.527 1.00 0.00 C ATOM 397 O SER A 55 7.473 -7.425 -0.812 1.00 0.00 O ATOM 398 CB SER A 55 10.375 -7.547 -2.184 1.00 0.00 C ATOM 399 OG SER A 55 9.441 -7.092 -3.142 1.00 0.00 O ATOM 0 H SER A 55 11.618 -8.396 -0.254 1.00 0.00 H new ATOM 0 HA SER A 55 9.727 -6.289 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.315 -7.011 -2.313 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.584 -8.603 -2.356 1.00 0.00 H new ATOM 0 HG SER A 55 9.801 -7.232 -4.042 1.00 0.00 H new ATOM 405 N THR A 56 8.497 -9.240 -0.003 1.00 0.00 N ATOM 406 CA THR A 56 7.256 -9.934 0.254 1.00 0.00 C ATOM 407 C THR A 56 6.535 -9.260 1.430 1.00 0.00 C ATOM 408 O THR A 56 5.307 -9.240 1.504 1.00 0.00 O ATOM 409 CB THR A 56 7.515 -11.404 0.559 1.00 0.00 C ATOM 410 OG1 THR A 56 8.389 -11.931 -0.460 1.00 0.00 O ATOM 411 CG2 THR A 56 6.219 -12.205 0.573 1.00 0.00 C ATOM 0 H THR A 56 9.336 -9.762 0.250 1.00 0.00 H new ATOM 0 HA THR A 56 6.626 -9.883 -0.634 1.00 0.00 H new ATOM 0 HB THR A 56 7.971 -11.485 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.320 -11.726 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.439 -13.250 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.553 -11.805 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.737 -12.134 -0.402 1.00 0.00 H new ATOM 419 N ASN A 57 7.320 -8.689 2.334 1.00 0.00 N ATOM 420 CA ASN A 57 6.809 -7.935 3.429 1.00 0.00 C ATOM 421 C ASN A 57 6.149 -6.674 2.918 1.00 0.00 C ATOM 422 O ASN A 57 5.073 -6.324 3.350 1.00 0.00 O ATOM 423 CB ASN A 57 7.925 -7.660 4.428 1.00 0.00 C ATOM 424 CG ASN A 57 8.290 -8.892 5.228 1.00 0.00 C ATOM 425 OD1 ASN A 57 7.455 -9.763 5.457 1.00 0.00 O ATOM 426 ND2 ASN A 57 9.512 -8.974 5.661 1.00 0.00 N ATOM 0 H ASN A 57 8.338 -8.748 2.311 1.00 0.00 H new ATOM 0 HA ASN A 57 6.042 -8.503 3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.806 -7.299 3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.615 -6.866 5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.805 -9.782 6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.178 -8.231 5.451 1.00 0.00 H new ATOM 433 N LEU A 58 6.803 -6.013 1.967 1.00 0.00 N ATOM 434 CA LEU A 58 6.214 -4.872 1.253 1.00 0.00 C ATOM 435 C LEU A 58 4.953 -5.267 0.562 1.00 0.00 C ATOM 436 O LEU A 58 3.926 -4.627 0.706 1.00 0.00 O ATOM 437 CB LEU A 58 7.178 -4.316 0.217 1.00 0.00 C ATOM 438 CG LEU A 58 8.153 -3.284 0.683 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.439 -2.114 1.320 1.00 0.00 C ATOM 440 CD2 LEU A 58 9.186 -3.876 1.578 1.00 0.00 C ATOM 0 H LEU A 58 7.750 -6.247 1.667 1.00 0.00 H new ATOM 0 HA LEU A 58 6.000 -4.107 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.741 -5.149 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.592 -3.886 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 58 8.682 -2.899 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.171 -1.377 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.768 -1.658 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.862 -2.462 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.879 -3.098 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.703 -4.314 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.733 -4.650 1.040 1.00 0.00 H new ATOM 452 N LYS A 59 5.056 -6.311 -0.180 1.00 0.00 N ATOM 453 CA LYS A 59 3.925 -6.893 -0.911 1.00 0.00 C ATOM 454 C LYS A 59 2.727 -7.174 0.022 1.00 0.00 C ATOM 455 O LYS A 59 1.592 -6.851 -0.322 1.00 0.00 O ATOM 456 CB LYS A 59 4.390 -8.182 -1.597 1.00 0.00 C ATOM 457 CG LYS A 59 3.328 -8.951 -2.361 1.00 0.00 C ATOM 458 CD LYS A 59 3.931 -10.215 -2.955 1.00 0.00 C ATOM 459 CE LYS A 59 2.900 -11.070 -3.671 1.00 0.00 C ATOM 460 NZ LYS A 59 1.825 -11.522 -2.761 1.00 0.00 N ATOM 0 H LYS A 59 5.933 -6.814 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 59 3.584 -6.177 -1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.196 -7.932 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.812 -8.841 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.504 -9.209 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.915 -8.327 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.721 -9.943 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.395 -10.800 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.464 -10.501 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.391 -11.938 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.271 -12.271 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.245 -11.893 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.202 -10.721 -2.534 1.00 0.00 H new ATOM 474 N THR A 60 2.991 -7.729 1.197 1.00 0.00 N ATOM 475 CA THR A 60 1.949 -7.979 2.185 1.00 0.00 C ATOM 476 C THR A 60 1.479 -6.644 2.805 1.00 0.00 C ATOM 477 O THR A 60 0.304 -6.460 3.156 1.00 0.00 O ATOM 478 CB THR A 60 2.473 -8.917 3.276 1.00 0.00 C ATOM 479 OG1 THR A 60 2.981 -10.111 2.655 1.00 0.00 O ATOM 480 CG2 THR A 60 1.378 -9.293 4.269 1.00 0.00 C ATOM 0 H THR A 60 3.924 -8.017 1.491 1.00 0.00 H new ATOM 0 HA THR A 60 1.101 -8.456 1.694 1.00 0.00 H new ATOM 0 HB THR A 60 3.260 -8.400 3.825 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.784 -9.894 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.788 -9.959 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.995 -8.391 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.567 -9.797 3.743 1.00 0.00 H new ATOM 488 N HIS A 61 2.404 -5.721 2.892 1.00 0.00 N ATOM 489 CA HIS A 61 2.156 -4.395 3.400 1.00 0.00 C ATOM 490 C HIS A 61 1.188 -3.589 2.504 1.00 0.00 C ATOM 491 O HIS A 61 0.380 -2.810 3.010 1.00 0.00 O ATOM 492 CB HIS A 61 3.502 -3.643 3.643 1.00 0.00 C ATOM 493 CG HIS A 61 3.343 -2.193 3.925 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.833 -1.700 5.094 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.532 -1.118 3.121 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.706 -0.403 4.977 1.00 0.00 C ATOM 497 NE2 HIS A 61 3.118 -0.040 3.818 1.00 0.00 N ATOM 0 H HIS A 61 3.371 -5.874 2.606 1.00 0.00 H new ATOM 0 HA HIS A 61 1.651 -4.498 4.360 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.021 -4.110 4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.137 -3.764 2.766 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.592 -2.250 5.918 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.935 -1.124 2.119 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.316 0.258 5.737 1.00 0.00 H new ATOM 505 N PHE A 62 1.251 -3.772 1.192 1.00 0.00 N ATOM 506 CA PHE A 62 0.363 -2.996 0.329 1.00 0.00 C ATOM 507 C PHE A 62 -0.939 -3.746 0.064 1.00 0.00 C ATOM 508 O PHE A 62 -1.776 -3.282 -0.715 1.00 0.00 O ATOM 509 CB PHE A 62 0.992 -2.630 -1.015 1.00 0.00 C ATOM 510 CG PHE A 62 2.367 -2.051 -0.968 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.606 -0.844 -0.354 1.00 0.00 C ATOM 512 CD2 PHE A 62 3.423 -2.716 -1.567 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.872 -0.309 -0.325 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.695 -2.191 -1.544 1.00 0.00 C ATOM 515 CZ PHE A 62 4.929 -0.990 -0.926 1.00 0.00 C ATOM 0 H PHE A 62 1.877 -4.421 0.715 1.00 0.00 H new ATOM 0 HA PHE A 62 0.167 -2.073 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.020 -3.526 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.338 -1.916 -1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.790 -0.310 0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.246 -3.661 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.047 0.638 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.508 -2.725 -2.013 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.926 -0.574 -0.905 1.00 0.00 H new ATOM 525 N ARG A 63 -1.112 -4.903 0.705 1.00 0.00 N ATOM 526 CA ARG A 63 -2.325 -5.692 0.509 1.00 0.00 C ATOM 527 C ARG A 63 -3.524 -4.992 1.085 1.00 0.00 C ATOM 528 O ARG A 63 -4.628 -5.108 0.555 1.00 0.00 O ATOM 529 CB ARG A 63 -2.209 -7.091 1.105 1.00 0.00 C ATOM 530 CG ARG A 63 -1.145 -7.991 0.484 1.00 0.00 C ATOM 531 CD ARG A 63 -1.377 -8.266 -1.003 1.00 0.00 C ATOM 532 NE ARG A 63 -1.120 -7.099 -1.871 1.00 0.00 N ATOM 533 CZ ARG A 63 -1.892 -6.727 -2.906 1.00 0.00 C ATOM 534 NH1 ARG A 63 -3.064 -7.321 -3.115 1.00 0.00 N ATOM 535 NH2 ARG A 63 -1.494 -5.749 -3.712 1.00 0.00 N ATOM 0 H ARG A 63 -0.438 -5.308 1.354 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.454 -5.797 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.000 -6.995 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.176 -7.586 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.167 -7.527 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.121 -8.939 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.734 -9.089 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.407 -8.594 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.295 -6.533 -1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.379 -8.062 -2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.647 -7.036 -3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.603 -5.281 -3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.079 -5.466 -4.498 1.00 0.00 H new ATOM 549 N SER A 64 -3.305 -4.261 2.163 1.00 0.00 N ATOM 550 CA SER A 64 -4.345 -3.514 2.808 1.00 0.00 C ATOM 551 C SER A 64 -4.835 -2.403 1.875 1.00 0.00 C ATOM 552 O SER A 64 -4.102 -1.432 1.608 1.00 0.00 O ATOM 553 CB SER A 64 -3.804 -2.924 4.102 1.00 0.00 C ATOM 554 OG SER A 64 -3.274 -3.955 4.946 1.00 0.00 O ATOM 0 H SER A 64 -2.392 -4.175 2.610 1.00 0.00 H new ATOM 0 HA SER A 64 -5.186 -4.168 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.026 -2.195 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.598 -2.392 4.625 1.00 0.00 H new ATOM 0 HG SER A 64 -2.929 -3.556 5.772 1.00 0.00 H new ATOM 560 N LYS A 65 -6.063 -2.556 1.359 1.00 0.00 N ATOM 561 CA LYS A 65 -6.635 -1.583 0.421 1.00 0.00 C ATOM 562 C LYS A 65 -6.695 -0.194 1.032 1.00 0.00 C ATOM 563 O LYS A 65 -6.531 0.793 0.337 1.00 0.00 O ATOM 564 CB LYS A 65 -8.039 -1.994 -0.140 1.00 0.00 C ATOM 565 CG LYS A 65 -9.216 -2.070 0.866 1.00 0.00 C ATOM 566 CD LYS A 65 -9.081 -3.215 1.853 1.00 0.00 C ATOM 567 CE LYS A 65 -10.274 -3.302 2.797 1.00 0.00 C ATOM 568 NZ LYS A 65 -10.419 -2.099 3.632 1.00 0.00 N ATOM 0 H LYS A 65 -6.676 -3.342 1.575 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.955 -1.570 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.310 -1.285 -0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.939 -2.970 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.279 -1.130 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.150 -2.181 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.982 -4.153 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.168 -3.086 2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.184 -3.449 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.162 -4.175 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.359 -2.097 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.686 -2.098 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.315 -1.251 3.040 1.00 0.00 H new ATOM 582 N ASP A 66 -6.873 -0.151 2.353 1.00 0.00 N ATOM 583 CA ASP A 66 -6.982 1.062 3.131 1.00 0.00 C ATOM 584 C ASP A 66 -5.780 1.966 2.927 1.00 0.00 C ATOM 585 O ASP A 66 -5.901 3.177 2.919 1.00 0.00 O ATOM 586 CB ASP A 66 -7.066 0.692 4.600 1.00 0.00 C ATOM 587 CG ASP A 66 -8.218 -0.219 4.916 1.00 0.00 C ATOM 588 OD1 ASP A 66 -8.063 -1.458 4.771 1.00 0.00 O ATOM 589 OD2 ASP A 66 -9.296 0.267 5.318 1.00 0.00 O ATOM 0 H ASP A 66 -6.947 -0.995 2.921 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.874 1.598 2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.136 0.209 4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.158 1.602 5.193 1.00 0.00 H new ATOM 594 N HIS A 67 -4.625 1.357 2.729 1.00 0.00 N ATOM 595 CA HIS A 67 -3.381 2.102 2.574 1.00 0.00 C ATOM 596 C HIS A 67 -3.386 2.853 1.316 1.00 0.00 C ATOM 597 O HIS A 67 -3.225 4.050 1.301 1.00 0.00 O ATOM 598 CB HIS A 67 -2.184 1.157 2.542 1.00 0.00 C ATOM 599 CG HIS A 67 -0.856 1.792 2.461 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.654 3.096 2.865 1.00 0.00 N ATOM 601 CD2 HIS A 67 0.293 1.213 2.424 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.596 3.249 3.126 1.00 0.00 C ATOM 603 NE2 HIS A 67 1.198 2.131 2.883 1.00 0.00 N ATOM 0 H HIS A 67 -4.519 0.344 2.671 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.302 2.781 3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.213 0.537 3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.297 0.489 1.688 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.373 3.815 2.943 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.501 0.205 2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.062 4.154 3.486 1.00 0.00 H new ATOM 611 N LYS A 68 -3.572 2.150 0.273 1.00 0.00 N ATOM 612 CA LYS A 68 -3.489 2.716 -1.007 1.00 0.00 C ATOM 613 C LYS A 68 -4.686 3.629 -1.242 1.00 0.00 C ATOM 614 O LYS A 68 -4.615 4.605 -1.987 1.00 0.00 O ATOM 615 CB LYS A 68 -3.265 1.628 -2.035 1.00 0.00 C ATOM 616 CG LYS A 68 -2.017 0.753 -1.684 1.00 0.00 C ATOM 617 CD LYS A 68 -1.664 -0.209 -2.811 1.00 0.00 C ATOM 618 CE LYS A 68 -2.779 -1.194 -3.096 1.00 0.00 C ATOM 619 NZ LYS A 68 -2.443 -2.083 -4.222 1.00 0.00 N ATOM 0 H LYS A 68 -3.789 1.153 0.284 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.621 3.368 -1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.150 0.994 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.130 2.078 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.165 1.401 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.214 0.188 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.444 0.359 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.758 -0.755 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.974 -1.792 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.696 -0.651 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.229 -2.744 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.282 -1.514 -5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.581 -2.620 -3.996 1.00 0.00 H new ATOM 633 N LYS A 69 -5.772 3.310 -0.575 1.00 0.00 N ATOM 634 CA LYS A 69 -6.922 4.169 -0.509 1.00 0.00 C ATOM 635 C LYS A 69 -6.573 5.492 0.200 1.00 0.00 C ATOM 636 O LYS A 69 -7.038 6.556 -0.209 1.00 0.00 O ATOM 637 CB LYS A 69 -8.059 3.464 0.212 1.00 0.00 C ATOM 638 CG LYS A 69 -9.217 4.354 0.551 1.00 0.00 C ATOM 639 CD LYS A 69 -10.314 3.558 1.238 1.00 0.00 C ATOM 640 CE LYS A 69 -11.450 4.435 1.726 1.00 0.00 C ATOM 641 NZ LYS A 69 -11.023 5.358 2.788 1.00 0.00 N ATOM 0 H LYS A 69 -5.878 2.436 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.241 4.401 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.416 2.644 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.673 3.022 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.884 5.163 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.607 4.815 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.706 2.813 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.890 3.015 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.850 5.007 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.259 3.806 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.797 6.016 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.777 4.816 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.192 5.895 2.468 1.00 0.00 H new ATOM 655 N ARG A 70 -5.732 5.435 1.247 1.00 0.00 N ATOM 656 CA ARG A 70 -5.327 6.656 1.946 1.00 0.00 C ATOM 657 C ARG A 70 -4.507 7.523 0.999 1.00 0.00 C ATOM 658 O ARG A 70 -4.549 8.742 1.052 1.00 0.00 O ATOM 659 CB ARG A 70 -4.519 6.321 3.210 1.00 0.00 C ATOM 660 CG ARG A 70 -4.117 7.536 4.046 1.00 0.00 C ATOM 661 CD ARG A 70 -5.338 8.287 4.539 1.00 0.00 C ATOM 662 NE ARG A 70 -5.002 9.496 5.290 1.00 0.00 N ATOM 663 CZ ARG A 70 -5.862 10.483 5.552 1.00 0.00 C ATOM 664 NH1 ARG A 70 -7.100 10.425 5.077 1.00 0.00 N ATOM 665 NH2 ARG A 70 -5.475 11.536 6.262 1.00 0.00 N ATOM 0 H ARG A 70 -5.330 4.574 1.618 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.217 7.202 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.106 5.646 3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.617 5.783 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.517 7.214 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.493 8.202 3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.960 8.557 3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.933 7.627 5.171 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.047 9.592 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.393 9.627 4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.758 11.178 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.518 11.593 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.135 12.288 6.460 1.00 0.00 H new ATOM 679 N LEU A 71 -3.810 6.862 0.108 1.00 0.00 N ATOM 680 CA LEU A 71 -3.007 7.495 -0.904 1.00 0.00 C ATOM 681 C LEU A 71 -3.876 8.104 -1.988 1.00 0.00 C ATOM 682 O LEU A 71 -3.518 9.104 -2.604 1.00 0.00 O ATOM 683 CB LEU A 71 -2.011 6.500 -1.474 1.00 0.00 C ATOM 684 CG LEU A 71 -0.709 6.305 -0.681 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.939 5.907 0.764 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.211 5.322 -1.368 1.00 0.00 C ATOM 0 H LEU A 71 -3.786 5.843 0.067 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.447 8.312 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.506 5.533 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.751 6.817 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.224 7.281 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.021 5.786 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.516 6.683 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.488 4.966 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.123 5.206 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.288 4.357 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.463 5.693 -2.362 1.00 0.00 H new ATOM 698 N LYS A 72 -5.017 7.503 -2.200 1.00 0.00 N ATOM 699 CA LYS A 72 -6.027 8.030 -3.106 1.00 0.00 C ATOM 700 C LYS A 72 -6.559 9.348 -2.537 1.00 0.00 C ATOM 701 O LYS A 72 -6.765 10.326 -3.259 1.00 0.00 O ATOM 702 CB LYS A 72 -7.164 7.004 -3.270 1.00 0.00 C ATOM 703 CG LYS A 72 -8.344 7.466 -4.116 1.00 0.00 C ATOM 704 CD LYS A 72 -7.944 7.811 -5.543 1.00 0.00 C ATOM 705 CE LYS A 72 -7.395 6.606 -6.291 1.00 0.00 C ATOM 706 NZ LYS A 72 -7.011 6.949 -7.674 1.00 0.00 N ATOM 0 H LYS A 72 -5.282 6.627 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.593 8.215 -4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.752 6.098 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.532 6.734 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.101 6.682 -4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.800 8.339 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.809 8.205 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.193 8.601 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.528 6.212 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.145 5.815 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.641 6.102 -8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.844 7.301 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.277 7.686 -7.658 1.00 0.00 H new ATOM 720 N GLN A 73 -6.733 9.360 -1.231 1.00 0.00 N ATOM 721 CA GLN A 73 -7.168 10.547 -0.505 1.00 0.00 C ATOM 722 C GLN A 73 -6.031 11.582 -0.457 1.00 0.00 C ATOM 723 O GLN A 73 -6.261 12.787 -0.364 1.00 0.00 O ATOM 724 CB GLN A 73 -7.571 10.154 0.919 1.00 0.00 C ATOM 725 CG GLN A 73 -8.720 9.157 0.997 1.00 0.00 C ATOM 726 CD GLN A 73 -8.983 8.688 2.414 1.00 0.00 C ATOM 727 OE1 GLN A 73 -8.077 8.616 3.239 1.00 0.00 O ATOM 728 NE2 GLN A 73 -10.205 8.362 2.717 1.00 0.00 N ATOM 0 H GLN A 73 -6.577 8.546 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.024 10.987 -1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.704 9.730 1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.850 11.055 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.623 9.616 0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.494 8.296 0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.940 8.431 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.428 8.038 3.658 1.00 0.00 H new ATOM 737 N LEU A 74 -4.812 11.090 -0.507 1.00 0.00 N ATOM 738 CA LEU A 74 -3.610 11.914 -0.494 1.00 0.00 C ATOM 739 C LEU A 74 -3.376 12.576 -1.853 1.00 0.00 C ATOM 740 O LEU A 74 -2.706 13.611 -1.948 1.00 0.00 O ATOM 741 CB LEU A 74 -2.417 11.047 -0.120 1.00 0.00 C ATOM 742 CG LEU A 74 -1.040 11.716 -0.062 1.00 0.00 C ATOM 743 CD1 LEU A 74 -0.998 12.806 0.995 1.00 0.00 C ATOM 744 CD2 LEU A 74 0.032 10.675 0.200 1.00 0.00 C ATOM 0 H LEU A 74 -4.619 10.090 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.737 12.708 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.617 10.605 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.361 10.227 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.849 12.187 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.007 13.260 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.743 13.567 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.214 12.374 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.008 11.159 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.166 10.180 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.026 9.937 -0.602 1.00 0.00 H new ATOM 756 N SER A 75 -3.948 11.987 -2.888 1.00 0.00 N ATOM 757 CA SER A 75 -3.804 12.477 -4.245 1.00 0.00 C ATOM 758 C SER A 75 -4.463 13.860 -4.383 1.00 0.00 C ATOM 759 O SER A 75 -5.428 14.160 -3.691 1.00 0.00 O ATOM 760 CB SER A 75 -4.434 11.476 -5.216 1.00 0.00 C ATOM 761 OG SER A 75 -3.845 10.179 -5.063 1.00 0.00 O ATOM 0 H SER A 75 -4.528 11.152 -2.809 1.00 0.00 H new ATOM 0 HA SER A 75 -2.746 12.582 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.508 11.416 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.300 11.823 -6.241 1.00 0.00 H new ATOM 0 HG SER A 75 -3.918 9.895 -4.128 1.00 0.00 H new ATOM 767 N VAL A 76 -3.936 14.690 -5.261 1.00 0.00 N ATOM 768 CA VAL A 76 -4.434 16.061 -5.439 1.00 0.00 C ATOM 769 C VAL A 76 -5.644 16.066 -6.406 1.00 0.00 C ATOM 770 O VAL A 76 -6.333 17.079 -6.593 1.00 0.00 O ATOM 771 CB VAL A 76 -3.296 16.983 -5.982 1.00 0.00 C ATOM 772 CG1 VAL A 76 -3.713 18.452 -6.027 1.00 0.00 C ATOM 773 CG2 VAL A 76 -2.020 16.812 -5.164 1.00 0.00 C ATOM 0 H VAL A 76 -3.156 14.447 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.759 16.447 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.098 16.672 -7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.889 19.053 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.579 18.565 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.969 18.788 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.243 17.464 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.217 17.074 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.688 15.775 -5.221 1.00 0.00 H new ATOM 783 N GLU A 77 -5.881 14.920 -6.996 1.00 0.00 N ATOM 784 CA GLU A 77 -6.972 14.709 -7.934 1.00 0.00 C ATOM 785 C GLU A 77 -8.336 14.765 -7.210 1.00 0.00 C ATOM 786 O GLU A 77 -8.390 14.557 -5.989 1.00 0.00 O ATOM 787 CB GLU A 77 -6.787 13.344 -8.590 1.00 0.00 C ATOM 788 CG GLU A 77 -5.475 13.192 -9.336 1.00 0.00 C ATOM 789 CD GLU A 77 -5.324 11.833 -9.960 1.00 0.00 C ATOM 790 OE1 GLU A 77 -5.743 11.654 -11.116 1.00 0.00 O ATOM 791 OE2 GLU A 77 -4.796 10.921 -9.295 1.00 0.00 O ATOM 0 H GLU A 77 -5.313 14.087 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.960 15.496 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.849 12.572 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.610 13.171 -9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.411 13.954 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.647 13.367 -8.649 1.00 0.00 H new ATOM 798 N PRO A 78 -9.451 15.067 -7.952 1.00 0.00 N ATOM 799 CA PRO A 78 -10.819 15.100 -7.385 1.00 0.00 C ATOM 800 C PRO A 78 -11.126 13.809 -6.635 1.00 0.00 C ATOM 801 O PRO A 78 -11.096 12.707 -7.217 1.00 0.00 O ATOM 802 CB PRO A 78 -11.707 15.225 -8.625 1.00 0.00 C ATOM 803 CG PRO A 78 -10.849 15.915 -9.620 1.00 0.00 C ATOM 804 CD PRO A 78 -9.457 15.404 -9.390 1.00 0.00 C ATOM 0 HA PRO A 78 -10.964 15.907 -6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.027 14.247 -8.985 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.610 15.798 -8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.180 15.701 -10.636 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.894 16.996 -9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.241 14.532 -10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.707 16.158 -9.629 1.00 0.00 H new ATOM 812 N TYR A 79 -11.428 13.940 -5.366 1.00 0.00 N ATOM 813 CA TYR A 79 -11.538 12.784 -4.490 1.00 0.00 C ATOM 814 C TYR A 79 -12.848 12.076 -4.666 1.00 0.00 C ATOM 815 O TYR A 79 -12.929 10.850 -4.572 1.00 0.00 O ATOM 816 CB TYR A 79 -11.411 13.183 -3.027 1.00 0.00 C ATOM 817 CG TYR A 79 -10.288 14.124 -2.691 1.00 0.00 C ATOM 818 CD1 TYR A 79 -9.014 13.675 -2.411 1.00 0.00 C ATOM 819 CD2 TYR A 79 -10.523 15.481 -2.636 1.00 0.00 C ATOM 820 CE1 TYR A 79 -8.012 14.570 -2.091 1.00 0.00 C ATOM 821 CE2 TYR A 79 -9.543 16.367 -2.319 1.00 0.00 C ATOM 822 CZ TYR A 79 -8.293 15.918 -2.047 1.00 0.00 C ATOM 823 OH TYR A 79 -7.311 16.826 -1.718 1.00 0.00 O ATOM 0 H TYR A 79 -11.604 14.835 -4.910 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.722 12.116 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.349 13.643 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.288 12.277 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.799 12.617 -2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.515 15.851 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.015 14.215 -1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.759 17.425 -2.284 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.684 17.732 -1.737 1.00 0.00 H new ATOM 833 N SER A 80 -13.848 12.860 -4.912 1.00 0.00 N ATOM 834 CA SER A 80 -15.258 12.442 -4.992 1.00 0.00 C ATOM 835 C SER A 80 -15.788 12.118 -3.598 1.00 0.00 C ATOM 836 O SER A 80 -16.699 12.771 -3.083 1.00 0.00 O ATOM 837 CB SER A 80 -15.469 11.287 -5.987 1.00 0.00 C ATOM 838 OG SER A 80 -14.964 11.644 -7.271 1.00 0.00 O ATOM 0 H SER A 80 -13.725 13.860 -5.074 1.00 0.00 H new ATOM 0 HA SER A 80 -15.839 13.276 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.965 10.390 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.530 11.049 -6.059 1.00 0.00 H new ATOM 0 HG SER A 80 -15.102 10.901 -7.895 1.00 0.00 H new ATOM 844 N GLN A 81 -15.184 11.166 -3.008 1.00 0.00 N ATOM 845 CA GLN A 81 -15.458 10.755 -1.654 1.00 0.00 C ATOM 846 C GLN A 81 -14.391 11.409 -0.770 1.00 0.00 C ATOM 847 O GLN A 81 -13.276 11.631 -1.241 1.00 0.00 O ATOM 848 CB GLN A 81 -15.427 9.232 -1.556 1.00 0.00 C ATOM 849 CG GLN A 81 -15.753 8.687 -0.188 1.00 0.00 C ATOM 850 CD GLN A 81 -15.748 7.182 -0.142 1.00 0.00 C ATOM 851 OE1 GLN A 81 -16.061 6.511 -1.128 1.00 0.00 O ATOM 852 NE2 GLN A 81 -15.358 6.644 0.977 1.00 0.00 N ATOM 0 H GLN A 81 -14.451 10.616 -3.456 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.450 11.068 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.134 8.820 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.436 8.882 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.030 9.070 0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.733 9.052 0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.108 7.237 1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.302 5.629 1.063 1.00 0.00 H new ATOM 861 N GLU A 82 -14.731 11.726 0.486 1.00 0.00 N ATOM 862 CA GLU A 82 -13.888 12.558 1.368 1.00 0.00 C ATOM 863 C GLU A 82 -13.795 13.945 0.751 1.00 0.00 C ATOM 864 O GLU A 82 -12.792 14.669 0.908 1.00 0.00 O ATOM 865 CB GLU A 82 -12.466 11.981 1.614 1.00 0.00 C ATOM 866 CG GLU A 82 -12.375 10.755 2.521 1.00 0.00 C ATOM 867 CD GLU A 82 -13.016 9.513 1.969 1.00 0.00 C ATOM 868 OE1 GLU A 82 -12.380 8.827 1.129 1.00 0.00 O ATOM 869 OE2 GLU A 82 -14.120 9.161 2.408 1.00 0.00 O ATOM 0 H GLU A 82 -15.598 11.415 0.924 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.359 12.584 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.030 11.724 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.848 12.769 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.324 10.546 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.841 10.993 3.477 1.00 0.00 H new ATOM 876 N GLU A 83 -14.870 14.328 0.084 1.00 0.00 N ATOM 877 CA GLU A 83 -14.926 15.567 -0.651 1.00 0.00 C ATOM 878 C GLU A 83 -16.368 15.985 -0.881 1.00 0.00 C ATOM 879 O GLU A 83 -16.764 17.122 -0.576 1.00 0.00 O ATOM 880 CB GLU A 83 -14.232 15.369 -2.008 1.00 0.00 C ATOM 881 CG GLU A 83 -14.254 16.575 -2.937 1.00 0.00 C ATOM 882 CD GLU A 83 -13.687 16.250 -4.302 1.00 0.00 C ATOM 883 OE1 GLU A 83 -14.402 15.655 -5.114 1.00 0.00 O ATOM 884 OE2 GLU A 83 -12.527 16.591 -4.591 1.00 0.00 O ATOM 0 H GLU A 83 -15.730 13.781 0.041 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.424 16.346 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.194 15.090 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.704 14.530 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.279 16.930 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.681 17.387 -2.490 1.00 0.00 H new ATOM 891 N ALA A 84 -17.154 15.069 -1.384 1.00 0.00 N ATOM 892 CA ALA A 84 -18.499 15.389 -1.794 1.00 0.00 C ATOM 893 C ALA A 84 -19.463 14.332 -1.417 1.00 0.00 C ATOM 894 O ALA A 84 -20.521 14.590 -0.828 1.00 0.00 O ATOM 895 CB ALA A 84 -18.524 15.623 -3.287 1.00 0.00 C ATOM 0 H ALA A 84 -16.887 14.094 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 84 -18.806 16.296 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -19.540 15.865 -3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -17.860 16.451 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -18.190 14.722 -3.802 1.00 0.00 H new ATOM 901 N GLU A 85 -19.077 13.194 -1.744 1.00 0.00 N ATOM 902 CA GLU A 85 -19.827 11.963 -1.600 1.00 0.00 C ATOM 903 C GLU A 85 -21.058 12.009 -2.472 1.00 0.00 C ATOM 904 O GLU A 85 -22.155 12.358 -2.027 1.00 0.00 O ATOM 905 CB GLU A 85 -20.164 11.575 -0.132 1.00 0.00 C ATOM 906 CG GLU A 85 -18.954 11.235 0.757 1.00 0.00 C ATOM 907 CD GLU A 85 -18.040 12.409 1.042 1.00 0.00 C ATOM 908 OE1 GLU A 85 -17.168 12.711 0.227 1.00 0.00 O ATOM 909 OE2 GLU A 85 -18.187 13.038 2.110 1.00 0.00 O ATOM 0 H GLU A 85 -18.158 13.040 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 85 -19.172 11.160 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.710 12.399 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.835 10.716 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -19.315 10.833 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -18.375 10.447 0.276 1.00 0.00 H new ATOM 916 N ARG A 86 -20.858 11.716 -3.727 1.00 0.00 N ATOM 917 CA ARG A 86 -21.916 11.797 -4.694 1.00 0.00 C ATOM 918 C ARG A 86 -22.338 10.428 -5.195 1.00 0.00 C ATOM 919 O ARG A 86 -21.680 9.821 -6.038 1.00 0.00 O ATOM 920 CB ARG A 86 -21.538 12.719 -5.871 1.00 0.00 C ATOM 921 CG ARG A 86 -22.611 12.819 -6.960 1.00 0.00 C ATOM 922 CD ARG A 86 -23.912 13.397 -6.425 1.00 0.00 C ATOM 923 NE ARG A 86 -24.981 13.391 -7.435 1.00 0.00 N ATOM 924 CZ ARG A 86 -26.138 14.073 -7.333 1.00 0.00 C ATOM 925 NH1 ARG A 86 -26.361 14.871 -6.291 1.00 0.00 N ATOM 926 NH2 ARG A 86 -27.064 13.959 -8.276 1.00 0.00 N ATOM 0 H ARG A 86 -19.960 11.415 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.773 12.236 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.334 13.718 -5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.613 12.356 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -22.244 13.444 -7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.798 11.829 -7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.233 12.822 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -23.741 14.419 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 86 -24.836 12.829 -8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -25.653 14.969 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -27.240 15.384 -6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -26.901 13.354 -9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -27.939 14.477 -8.196 1.00 0.00 H new ATOM 940 N ALA A 87 -23.403 9.952 -4.641 1.00 0.00 N ATOM 941 CA ALA A 87 -24.036 8.738 -5.074 1.00 0.00 C ATOM 942 C ALA A 87 -25.506 9.019 -5.184 1.00 0.00 C ATOM 943 O ALA A 87 -26.098 8.889 -6.248 1.00 0.00 O ATOM 944 CB ALA A 87 -23.774 7.614 -4.094 1.00 0.00 C ATOM 0 H ALA A 87 -23.873 10.402 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 87 -23.634 8.419 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -24.264 6.705 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -22.701 7.441 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -24.169 7.885 -3.115 1.00 0.00 H new ATOM 950 N ALA A 88 -26.080 9.447 -4.086 1.00 0.00 N ATOM 951 CA ALA A 88 -27.467 9.859 -4.046 1.00 0.00 C ATOM 952 C ALA A 88 -27.616 11.008 -3.070 1.00 0.00 C ATOM 953 O ALA A 88 -28.395 11.936 -3.288 1.00 0.00 O ATOM 954 CB ALA A 88 -28.384 8.698 -3.687 1.00 0.00 C ATOM 0 H ALA A 88 -25.598 9.521 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 88 -27.767 10.195 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -29.418 9.044 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -28.280 7.909 -4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -28.112 8.309 -2.706 1.00 0.00 H new ATOM 960 N GLY A 89 -26.849 10.945 -2.014 1.00 0.00 N ATOM 961 CA GLY A 89 -26.830 11.993 -1.035 1.00 0.00 C ATOM 962 C GLY A 89 -27.643 11.637 0.169 1.00 0.00 C ATOM 963 O GLY A 89 -27.417 10.602 0.801 1.00 0.00 O ATOM 0 H GLY A 89 -26.222 10.167 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -25.801 12.192 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -27.216 12.911 -1.477 1.00 0.00 H new ATOM 967 N MET A 90 -28.578 12.480 0.492 1.00 0.00 N ATOM 968 CA MET A 90 -29.472 12.257 1.594 1.00 0.00 C ATOM 969 C MET A 90 -30.853 12.754 1.231 1.00 0.00 C ATOM 970 O MET A 90 -30.996 13.818 0.613 1.00 0.00 O ATOM 971 CB MET A 90 -28.956 12.913 2.898 1.00 0.00 C ATOM 972 CG MET A 90 -28.721 14.413 2.845 1.00 0.00 C ATOM 973 SD MET A 90 -28.136 15.060 4.431 1.00 0.00 S ATOM 974 CE MET A 90 -27.940 16.795 4.041 1.00 0.00 C ATOM 0 H MET A 90 -28.745 13.354 -0.007 1.00 0.00 H new ATOM 0 HA MET A 90 -29.522 11.186 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 90 -29.673 12.706 3.693 1.00 0.00 H new ATOM 0 HB3 MET A 90 -28.020 12.429 3.178 1.00 0.00 H new ATOM 0 HG2 MET A 90 -27.990 14.639 2.069 1.00 0.00 H new ATOM 0 HG3 MET A 90 -29.647 14.916 2.567 1.00 0.00 H new ATOM 0 HE1 MET A 90 -27.584 17.328 4.922 1.00 0.00 H new ATOM 0 HE2 MET A 90 -27.217 16.907 3.233 1.00 0.00 H new ATOM 0 HE3 MET A 90 -28.899 17.209 3.730 1.00 0.00 H new ATOM 984 N GLY A 91 -31.855 11.980 1.577 1.00 0.00 N ATOM 985 CA GLY A 91 -33.213 12.336 1.254 1.00 0.00 C ATOM 986 C GLY A 91 -33.826 13.250 2.289 1.00 0.00 C ATOM 987 O GLY A 91 -33.283 14.323 2.582 1.00 0.00 O ATOM 0 H GLY A 91 -31.753 11.100 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -33.237 12.825 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -33.814 11.430 1.170 1.00 0.00 H new ATOM 991 N SER A 92 -34.929 12.842 2.854 1.00 0.00 N ATOM 992 CA SER A 92 -35.616 13.648 3.825 1.00 0.00 C ATOM 993 C SER A 92 -35.572 13.000 5.200 1.00 0.00 C ATOM 994 O SER A 92 -36.351 12.090 5.500 1.00 0.00 O ATOM 995 CB SER A 92 -37.062 13.884 3.387 1.00 0.00 C ATOM 996 OG SER A 92 -37.104 14.523 2.115 1.00 0.00 O ATOM 0 H SER A 92 -35.375 11.946 2.656 1.00 0.00 H new ATOM 0 HA SER A 92 -35.109 14.611 3.892 1.00 0.00 H new ATOM 0 HB2 SER A 92 -37.593 12.933 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 92 -37.575 14.499 4.126 1.00 0.00 H new ATOM 0 HG SER A 92 -38.037 14.664 1.851 1.00 0.00 H new ATOM 1002 N TYR A 93 -34.643 13.433 6.019 1.00 0.00 N ATOM 1003 CA TYR A 93 -34.532 12.944 7.333 1.00 0.00 C ATOM 1004 C TYR A 93 -35.389 13.722 8.276 1.00 0.00 C ATOM 1005 O TYR A 93 -34.965 14.702 8.905 1.00 0.00 O ATOM 1006 CB TYR A 93 -33.117 12.911 7.775 1.00 0.00 C ATOM 1007 CG TYR A 93 -32.302 11.828 7.116 1.00 0.00 C ATOM 1008 CD1 TYR A 93 -32.240 10.571 7.682 1.00 0.00 C ATOM 1009 CD2 TYR A 93 -31.605 12.048 5.937 1.00 0.00 C ATOM 1010 CE1 TYR A 93 -31.510 9.562 7.104 1.00 0.00 C ATOM 1011 CE2 TYR A 93 -30.871 11.034 5.353 1.00 0.00 C ATOM 1012 CZ TYR A 93 -30.828 9.798 5.944 1.00 0.00 C ATOM 1013 OH TYR A 93 -30.100 8.785 5.364 1.00 0.00 O ATOM 0 H TYR A 93 -33.949 14.138 5.772 1.00 0.00 H new ATOM 0 HA TYR A 93 -34.898 11.917 7.339 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -32.658 13.877 7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -33.086 12.770 8.855 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -32.777 10.377 8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -31.637 13.022 5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -31.475 8.586 7.564 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -30.333 11.214 4.434 1.00 0.00 H new ATOM 0 HH TYR A 93 -29.676 9.115 4.545 1.00 0.00 H new ATOM 1023 N VAL A 94 -36.595 13.350 8.274 1.00 0.00 N ATOM 1024 CA VAL A 94 -37.582 13.873 9.123 1.00 0.00 C ATOM 1025 C VAL A 94 -38.489 12.733 9.575 1.00 0.00 C ATOM 1026 O VAL A 94 -39.433 12.363 8.863 1.00 0.00 O ATOM 1027 CB VAL A 94 -38.344 15.071 8.457 1.00 0.00 C ATOM 1028 CG1 VAL A 94 -39.006 14.709 7.129 1.00 0.00 C ATOM 1029 CG2 VAL A 94 -39.322 15.727 9.419 1.00 0.00 C ATOM 0 H VAL A 94 -36.947 12.629 7.644 1.00 0.00 H new ATOM 0 HA VAL A 94 -37.125 14.305 10.013 1.00 0.00 H new ATOM 0 HB VAL A 94 -37.579 15.808 8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -39.514 15.585 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -38.246 14.373 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -39.730 13.911 7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -39.828 16.552 8.917 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -40.059 14.993 9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -38.781 16.107 10.285 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 3.063 1.811 3.242 1.00 0.00 ZN