USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 SER OG : rot 18:sc= 1.62 USER MOD Set 1.2: A 113 TYR OH : rot 19:sc= -0.122 USER MOD Set 2.1: A 103 ASN :FLIP amide:sc= -0.285 F(o=-1.8,f=-1.2) USER MOD Set 2.2: A 105 ASN : amide:sc= -0.873 K(o=-1.2,f=-2.9!) USER MOD Single : A 22 MET CE :methyl 144:sc= -0.321 (180deg=-1.29!) USER MOD Single : A 24 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.012) USER MOD Single : A 25 ASN : amide:sc= -0.0636 K(o=-0.064,f=-4.3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0793) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.664 X(o=-0.66,f=-1.2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.73 K(o=-1.7,f=-8.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 58 THR OG1 : rot -43:sc= -0.0253 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.8!) USER MOD Single : A 83 SER OG : rot 170:sc= -1.07 USER MOD Single : A 92 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.068) USER MOD Single : A 100 GLN : amide:sc=-0.000337 X(o=-0.00034,f=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.9!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.699 F(o=-3!,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 3.479 -2.053 -18.697 1.00 0.00 N ATOM 2 CA ALA A 21 2.864 -2.572 -17.449 1.00 0.00 C ATOM 3 C ALA A 21 3.829 -3.484 -16.708 1.00 0.00 C ATOM 4 O ALA A 21 3.714 -4.708 -16.759 1.00 0.00 O ATOM 5 CB ALA A 21 1.575 -3.316 -17.767 1.00 0.00 C ATOM 0 HA ALA A 21 2.632 -1.724 -16.804 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.134 -3.691 -16.843 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.874 -2.638 -18.254 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.792 -4.152 -18.432 1.00 0.00 H new ATOM 13 N MET A 22 4.782 -2.879 -15.998 1.00 0.00 N ATOM 14 CA MET A 22 5.768 -3.637 -15.237 1.00 0.00 C ATOM 15 C MET A 22 6.060 -2.963 -13.908 1.00 0.00 C ATOM 16 O MET A 22 5.799 -1.773 -13.732 1.00 0.00 O ATOM 17 CB MET A 22 7.062 -3.782 -16.041 1.00 0.00 C ATOM 18 CG MET A 22 6.902 -4.611 -17.306 1.00 0.00 C ATOM 19 SD MET A 22 7.156 -3.646 -18.809 1.00 0.00 S ATOM 20 CE MET A 22 8.786 -2.969 -18.505 1.00 0.00 C ATOM 0 H MET A 22 4.890 -1.867 -15.936 1.00 0.00 H new ATOM 0 HA MET A 22 5.356 -4.627 -15.041 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.426 -2.790 -16.310 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.823 -4.241 -15.410 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.612 -5.438 -17.286 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.904 -5.049 -17.325 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.340 -2.920 -19.442 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.692 -1.967 -18.087 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.320 -3.607 -17.801 1.00 0.00 H new ATOM 30 N ALA A 23 6.603 -3.730 -12.962 1.00 0.00 N ATOM 31 CA ALA A 23 6.930 -3.207 -11.641 1.00 0.00 C ATOM 32 C ALA A 23 7.938 -2.067 -11.744 1.00 0.00 C ATOM 33 O ALA A 23 8.608 -1.901 -12.755 1.00 0.00 O ATOM 34 CB ALA A 23 7.471 -4.319 -10.754 1.00 0.00 C ATOM 0 H ALA A 23 6.825 -4.717 -13.089 1.00 0.00 H new ATOM 0 HA ALA A 23 6.018 -2.813 -11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.711 -3.915 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.719 -5.101 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.371 -4.738 -11.204 1.00 0.00 H new ATOM 40 N GLN A 24 8.041 -1.283 -10.667 1.00 0.00 N ATOM 41 CA GLN A 24 8.968 -0.156 -10.630 1.00 0.00 C ATOM 42 C GLN A 24 9.815 -0.189 -9.372 1.00 0.00 C ATOM 43 O GLN A 24 9.448 -0.822 -8.374 1.00 0.00 O ATOM 44 CB GLN A 24 8.212 1.174 -10.724 1.00 0.00 C ATOM 45 CG GLN A 24 6.791 1.116 -10.174 1.00 0.00 C ATOM 46 CD GLN A 24 5.994 2.366 -10.504 1.00 0.00 C ATOM 47 OE1 GLN A 24 5.557 2.563 -11.629 1.00 0.00 O ATOM 48 NE2 GLN A 24 5.803 3.218 -9.495 1.00 0.00 N ATOM 0 H GLN A 24 7.495 -1.410 -9.815 1.00 0.00 H new ATOM 0 HA GLN A 24 9.630 -0.242 -11.492 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.770 1.937 -10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.175 1.487 -11.767 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.281 0.244 -10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.827 0.986 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.187 3.011 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.273 4.076 -9.646 1.00 0.00 H new ATOM 57 N ASN A 25 10.949 0.500 -9.403 1.00 0.00 N ATOM 58 CA ASN A 25 11.852 0.555 -8.259 1.00 0.00 C ATOM 59 C ASN A 25 11.988 1.983 -7.742 1.00 0.00 C ATOM 60 O ASN A 25 12.387 2.885 -8.479 1.00 0.00 O ATOM 61 CB ASN A 25 13.229 0.007 -8.642 1.00 0.00 C ATOM 62 CG ASN A 25 13.746 0.597 -9.939 1.00 0.00 C ATOM 63 OD1 ASN A 25 13.057 0.586 -10.958 1.00 0.00 O ATOM 64 ND2 ASN A 25 14.968 1.117 -9.906 1.00 0.00 N ATOM 0 H ASN A 25 11.267 1.032 -10.213 1.00 0.00 H new ATOM 0 HA ASN A 25 11.430 -0.062 -7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.937 0.220 -7.841 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.172 -1.077 -8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.370 1.529 -10.748 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.504 1.105 -9.038 1.00 0.00 H new ATOM 71 N ILE A 26 11.651 2.182 -6.480 1.00 0.00 N ATOM 72 CA ILE A 26 11.734 3.501 -5.858 1.00 0.00 C ATOM 73 C ILE A 26 12.593 3.469 -4.597 1.00 0.00 C ATOM 74 O ILE A 26 12.486 2.552 -3.782 1.00 0.00 O ATOM 75 CB ILE A 26 10.337 4.044 -5.502 1.00 0.00 C ATOM 76 CG1 ILE A 26 9.406 3.942 -6.711 1.00 0.00 C ATOM 77 CG2 ILE A 26 10.432 5.483 -5.019 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.954 4.215 -6.382 1.00 0.00 C ATOM 0 H ILE A 26 11.315 1.446 -5.859 1.00 0.00 H new ATOM 0 HA ILE A 26 12.198 4.163 -6.589 1.00 0.00 H new ATOM 0 HB ILE A 26 9.924 3.440 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.736 4.647 -7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.491 2.944 -7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.436 5.850 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.066 5.528 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.863 6.103 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.353 4.125 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.607 3.494 -5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.855 5.223 -5.980 1.00 0.00 H new ATOM 90 N THR A 27 13.444 4.477 -4.445 1.00 0.00 N ATOM 91 CA THR A 27 14.324 4.569 -3.285 1.00 0.00 C ATOM 92 C THR A 27 13.620 5.255 -2.128 1.00 0.00 C ATOM 93 O THR A 27 12.885 6.223 -2.307 1.00 0.00 O ATOM 94 CB THR A 27 15.601 5.328 -3.645 1.00 0.00 C ATOM 95 OG1 THR A 27 15.297 6.632 -4.107 1.00 0.00 O ATOM 96 CG2 THR A 27 16.423 4.641 -4.715 1.00 0.00 C ATOM 0 H THR A 27 13.544 5.243 -5.111 1.00 0.00 H new ATOM 0 HA THR A 27 14.589 3.557 -2.978 1.00 0.00 H new ATOM 0 HB THR A 27 16.186 5.362 -2.726 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.128 7.102 -4.330 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.315 5.231 -4.924 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.716 3.650 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.830 4.546 -5.625 1.00 0.00 H new ATOM 104 N ALA A 28 13.852 4.743 -0.924 1.00 0.00 N ATOM 105 CA ALA A 28 13.242 5.303 0.276 1.00 0.00 C ATOM 106 C ALA A 28 14.238 5.343 1.425 1.00 0.00 C ATOM 107 O ALA A 28 15.265 4.664 1.398 1.00 0.00 O ATOM 108 CB ALA A 28 12.011 4.499 0.658 1.00 0.00 C ATOM 0 H ALA A 28 14.458 3.941 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 28 12.938 6.328 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.562 4.925 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.289 4.529 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.297 3.465 0.851 1.00 0.00 H new ATOM 114 N ARG A 29 13.927 6.146 2.438 1.00 0.00 N ATOM 115 CA ARG A 29 14.795 6.277 3.612 1.00 0.00 C ATOM 116 C ARG A 29 14.107 5.750 4.858 1.00 0.00 C ATOM 117 O ARG A 29 12.903 5.934 5.043 1.00 0.00 O ATOM 118 CB ARG A 29 15.195 7.740 3.803 1.00 0.00 C ATOM 119 CG ARG A 29 16.130 7.961 4.988 1.00 0.00 C ATOM 120 CD ARG A 29 15.967 9.353 5.567 1.00 0.00 C ATOM 121 NE ARG A 29 16.007 9.339 7.027 1.00 0.00 N ATOM 122 CZ ARG A 29 17.124 9.195 7.737 1.00 0.00 C ATOM 123 NH1 ARG A 29 18.294 9.054 7.125 1.00 0.00 N ATOM 124 NH2 ARG A 29 17.073 9.191 9.062 1.00 0.00 N ATOM 0 H ARG A 29 13.082 6.717 2.473 1.00 0.00 H new ATOM 0 HA ARG A 29 15.692 5.681 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.680 8.098 2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.296 8.340 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.925 7.218 5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.163 7.815 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.758 10.000 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.020 9.778 5.233 1.00 0.00 H new ATOM 0 HE ARG A 29 15.127 9.446 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.340 9.056 6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.147 8.944 7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.177 9.298 9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.929 9.081 9.605 1.00 0.00 H new ATOM 138 N ILE A 30 14.877 5.093 5.728 1.00 0.00 N ATOM 139 CA ILE A 30 14.340 4.537 6.959 1.00 0.00 C ATOM 140 C ILE A 30 13.967 5.642 7.943 1.00 0.00 C ATOM 141 O ILE A 30 14.743 6.569 8.184 1.00 0.00 O ATOM 142 CB ILE A 30 15.338 3.577 7.648 1.00 0.00 C ATOM 143 CG1 ILE A 30 16.760 4.143 7.586 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.286 2.204 6.996 1.00 0.00 C ATOM 145 CD1 ILE A 30 17.503 4.037 8.908 1.00 0.00 C ATOM 0 H ILE A 30 15.876 4.936 5.597 1.00 0.00 H new ATOM 0 HA ILE A 30 13.449 3.975 6.678 1.00 0.00 H new ATOM 0 HB ILE A 30 15.053 3.477 8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.322 3.613 6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 30 16.715 5.189 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.994 1.539 7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.279 1.796 7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.548 2.292 5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.504 4.455 8.798 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.961 4.590 9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.578 2.990 9.200 1.00 0.00 H new ATOM 157 N GLY A 31 12.776 5.531 8.522 1.00 0.00 N ATOM 158 CA GLY A 31 12.319 6.523 9.479 1.00 0.00 C ATOM 159 C GLY A 31 11.822 7.799 8.821 1.00 0.00 C ATOM 160 O GLY A 31 11.444 8.748 9.507 1.00 0.00 O ATOM 0 H GLY A 31 12.118 4.771 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.518 6.096 10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.135 6.766 10.160 1.00 0.00 H new ATOM 164 N GLU A 32 11.822 7.826 7.490 1.00 0.00 N ATOM 165 CA GLU A 32 11.367 9.000 6.753 1.00 0.00 C ATOM 166 C GLU A 32 9.913 8.838 6.309 1.00 0.00 C ATOM 167 O GLU A 32 9.596 7.953 5.517 1.00 0.00 O ATOM 168 CB GLU A 32 12.258 9.235 5.533 1.00 0.00 C ATOM 169 CG GLU A 32 12.247 10.673 5.048 1.00 0.00 C ATOM 170 CD GLU A 32 12.980 11.615 5.984 1.00 0.00 C ATOM 171 OE1 GLU A 32 13.182 11.247 7.160 1.00 0.00 O ATOM 172 OE2 GLU A 32 13.352 12.722 5.540 1.00 0.00 O ATOM 0 H GLU A 32 12.131 7.051 6.903 1.00 0.00 H new ATOM 0 HA GLU A 32 11.431 9.862 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.281 8.950 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.931 8.583 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.704 10.722 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.215 11.007 4.939 1.00 0.00 H new ATOM 179 N PRO A 33 9.003 9.695 6.820 1.00 0.00 N ATOM 180 CA PRO A 33 7.582 9.633 6.460 1.00 0.00 C ATOM 181 C PRO A 33 7.369 9.721 4.946 1.00 0.00 C ATOM 182 O PRO A 33 7.925 10.595 4.288 1.00 0.00 O ATOM 183 CB PRO A 33 6.977 10.857 7.149 1.00 0.00 C ATOM 184 CG PRO A 33 7.918 11.165 8.262 1.00 0.00 C ATOM 185 CD PRO A 33 9.283 10.787 7.762 1.00 0.00 C ATOM 0 HA PRO A 33 7.128 8.691 6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.890 11.697 6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.975 10.646 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.878 12.222 8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.660 10.602 9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.779 11.625 7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.934 10.462 8.574 1.00 0.00 H new ATOM 193 N LEU A 34 6.565 8.808 4.416 1.00 0.00 N ATOM 194 CA LEU A 34 6.287 8.785 2.977 1.00 0.00 C ATOM 195 C LEU A 34 4.787 8.707 2.706 1.00 0.00 C ATOM 196 O LEU A 34 4.042 8.075 3.455 1.00 0.00 O ATOM 197 CB LEU A 34 7.001 7.601 2.318 1.00 0.00 C ATOM 198 CG LEU A 34 8.261 7.965 1.536 1.00 0.00 C ATOM 199 CD1 LEU A 34 7.965 9.072 0.526 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.382 8.377 2.474 1.00 0.00 C ATOM 0 H LEU A 34 6.095 8.078 4.951 1.00 0.00 H new ATOM 0 HA LEU A 34 6.663 9.714 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.266 6.879 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.303 7.104 1.644 1.00 0.00 H new ATOM 0 HG LEU A 34 8.589 7.081 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.875 9.318 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.201 8.732 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.607 9.958 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.268 8.631 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.069 9.244 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.614 7.552 3.148 1.00 0.00 H new ATOM 212 N VAL A 35 4.355 9.352 1.626 1.00 0.00 N ATOM 213 CA VAL A 35 2.947 9.356 1.256 1.00 0.00 C ATOM 214 C VAL A 35 2.769 8.896 -0.188 1.00 0.00 C ATOM 215 O VAL A 35 3.566 9.239 -1.053 1.00 0.00 O ATOM 216 CB VAL A 35 2.324 10.755 1.409 1.00 0.00 C ATOM 217 CG1 VAL A 35 0.823 10.705 1.167 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.628 11.323 2.787 1.00 0.00 C ATOM 0 H VAL A 35 4.960 9.877 0.994 1.00 0.00 H new ATOM 0 HA VAL A 35 2.439 8.667 1.931 1.00 0.00 H new ATOM 0 HB VAL A 35 2.766 11.412 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.403 11.704 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.629 10.342 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.360 10.033 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.181 12.313 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.214 10.665 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.707 11.399 2.919 1.00 0.00 H new ATOM 228 N LEU A 36 1.718 8.120 -0.426 1.00 0.00 N ATOM 229 CA LEU A 36 1.437 7.617 -1.767 1.00 0.00 C ATOM 230 C LEU A 36 -0.062 7.628 -2.049 1.00 0.00 C ATOM 231 O LEU A 36 -0.865 7.230 -1.205 1.00 0.00 O ATOM 232 CB LEU A 36 1.993 6.201 -1.940 1.00 0.00 C ATOM 233 CG LEU A 36 3.144 6.071 -2.940 1.00 0.00 C ATOM 234 CD1 LEU A 36 3.594 4.622 -3.041 1.00 0.00 C ATOM 235 CD2 LEU A 36 2.731 6.607 -4.295 1.00 0.00 C ATOM 0 H LEU A 36 1.050 7.826 0.286 1.00 0.00 H new ATOM 0 HA LEU A 36 1.929 8.277 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.334 5.840 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.182 5.545 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 36 3.986 6.665 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.413 4.544 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.931 4.277 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.760 4.005 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.561 6.507 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.875 6.042 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.459 7.658 -4.203 1.00 0.00 H new ATOM 247 N LYS A 37 -0.430 8.085 -3.241 1.00 0.00 N ATOM 248 CA LYS A 37 -1.833 8.147 -3.644 1.00 0.00 C ATOM 249 C LYS A 37 -2.275 6.839 -4.292 1.00 0.00 C ATOM 250 O LYS A 37 -1.553 6.261 -5.104 1.00 0.00 O ATOM 251 CB LYS A 37 -2.061 9.310 -4.603 1.00 0.00 C ATOM 252 CG LYS A 37 -2.275 10.646 -3.916 1.00 0.00 C ATOM 253 CD LYS A 37 -1.053 11.541 -4.029 1.00 0.00 C ATOM 254 CE LYS A 37 -0.851 12.020 -5.458 1.00 0.00 C ATOM 255 NZ LYS A 37 -1.870 13.031 -5.855 1.00 0.00 N ATOM 0 H LYS A 37 0.225 8.419 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.433 8.305 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.203 9.390 -5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.929 9.090 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.135 11.148 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.508 10.481 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.166 12.400 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.169 10.997 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.145 12.450 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.901 11.169 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.593 13.467 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.795 12.568 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.935 13.765 -5.121 1.00 0.00 H new ATOM 269 N CYS A 38 -3.469 6.379 -3.922 1.00 0.00 N ATOM 270 CA CYS A 38 -4.010 5.140 -4.476 1.00 0.00 C ATOM 271 C CYS A 38 -5.507 5.275 -4.733 1.00 0.00 C ATOM 272 O CYS A 38 -6.328 4.680 -4.044 1.00 0.00 O ATOM 273 CB CYS A 38 -3.746 3.976 -3.509 1.00 0.00 C ATOM 274 SG CYS A 38 -2.356 2.907 -4.012 1.00 0.00 S ATOM 0 H CYS A 38 -4.076 6.842 -3.246 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.513 4.938 -5.425 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.543 4.378 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.648 3.370 -3.429 1.00 0.00 H new ATOM 279 N LYS A 39 -5.854 6.064 -5.745 1.00 0.00 N ATOM 280 CA LYS A 39 -7.251 6.280 -6.102 1.00 0.00 C ATOM 281 C LYS A 39 -7.809 5.084 -6.866 1.00 0.00 C ATOM 282 O LYS A 39 -7.114 4.093 -7.092 1.00 0.00 O ATOM 283 CB LYS A 39 -7.394 7.549 -6.942 1.00 0.00 C ATOM 284 CG LYS A 39 -6.573 7.527 -8.222 1.00 0.00 C ATOM 285 CD LYS A 39 -7.461 7.485 -9.464 1.00 0.00 C ATOM 286 CE LYS A 39 -7.642 6.065 -9.967 1.00 0.00 C ATOM 287 NZ LYS A 39 -7.414 5.969 -11.444 1.00 0.00 N ATOM 0 H LYS A 39 -5.187 6.564 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.821 6.397 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.444 7.690 -7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.093 8.408 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.936 8.410 -8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.914 6.659 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.434 7.917 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.019 8.098 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.949 5.403 -9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.649 5.720 -9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.546 4.985 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.092 6.581 -11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.445 6.274 -11.666 1.00 0.00 H new ATOM 301 N GLY A 40 -9.071 5.186 -7.271 1.00 0.00 N ATOM 302 CA GLY A 40 -9.703 4.108 -8.016 1.00 0.00 C ATOM 303 C GLY A 40 -11.176 4.366 -8.259 1.00 0.00 C ATOM 304 O GLY A 40 -11.585 4.613 -9.393 1.00 0.00 O ATOM 0 H GLY A 40 -9.668 5.994 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.195 3.984 -8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.585 3.173 -7.469 1.00 0.00 H new ATOM 308 N ALA A 41 -11.974 4.308 -7.198 1.00 0.00 N ATOM 309 CA ALA A 41 -13.409 4.539 -7.307 1.00 0.00 C ATOM 310 C ALA A 41 -13.703 5.960 -7.782 1.00 0.00 C ATOM 311 O ALA A 41 -12.816 6.812 -7.801 1.00 0.00 O ATOM 312 CB ALA A 41 -14.089 4.275 -5.980 1.00 0.00 C ATOM 0 H ALA A 41 -11.651 4.103 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.806 3.846 -8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.160 4.452 -6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.918 3.240 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.679 4.942 -5.222 1.00 0.00 H new ATOM 318 N PRO A 42 -14.959 6.234 -8.174 1.00 0.00 N ATOM 319 CA PRO A 42 -15.366 7.560 -8.650 1.00 0.00 C ATOM 320 C PRO A 42 -14.995 8.667 -7.669 1.00 0.00 C ATOM 321 O PRO A 42 -14.388 8.410 -6.629 1.00 0.00 O ATOM 322 CB PRO A 42 -16.887 7.445 -8.784 1.00 0.00 C ATOM 323 CG PRO A 42 -17.142 5.990 -8.980 1.00 0.00 C ATOM 324 CD PRO A 42 -16.080 5.275 -8.192 1.00 0.00 C ATOM 0 HA PRO A 42 -14.866 7.828 -9.581 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -17.392 7.819 -7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -17.255 8.029 -9.628 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.138 5.718 -8.630 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -17.091 5.723 -10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.420 5.037 -7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -15.796 4.334 -8.663 1.00 0.00 H new ATOM 332 N LYS A 43 -15.364 9.898 -8.006 1.00 0.00 N ATOM 333 CA LYS A 43 -15.069 11.046 -7.154 1.00 0.00 C ATOM 334 C LYS A 43 -15.725 10.897 -5.792 1.00 0.00 C ATOM 335 O LYS A 43 -15.302 11.521 -4.811 1.00 0.00 O ATOM 336 CB LYS A 43 -15.538 12.338 -7.825 1.00 0.00 C ATOM 337 CG LYS A 43 -14.460 13.408 -7.903 1.00 0.00 C ATOM 338 CD LYS A 43 -15.031 14.745 -8.356 1.00 0.00 C ATOM 339 CE LYS A 43 -15.210 15.694 -7.174 1.00 0.00 C ATOM 340 NZ LYS A 43 -15.063 17.118 -7.592 1.00 0.00 N ATOM 0 H LYS A 43 -15.868 10.127 -8.863 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.990 11.092 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.885 12.109 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.392 12.734 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.990 13.524 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.681 13.091 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.366 15.197 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.991 14.586 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.194 15.543 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.474 15.461 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.190 17.737 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.115 17.266 -7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.781 17.345 -8.309 1.00 0.00 H new ATOM 354 N LYS A 44 -16.759 10.065 -5.714 1.00 0.00 N ATOM 355 CA LYS A 44 -17.472 9.835 -4.462 1.00 0.00 C ATOM 356 C LYS A 44 -16.599 9.065 -3.475 1.00 0.00 C ATOM 357 O LYS A 44 -15.598 8.460 -3.859 1.00 0.00 O ATOM 358 CB LYS A 44 -18.767 9.065 -4.723 1.00 0.00 C ATOM 359 CG LYS A 44 -19.896 9.934 -5.253 1.00 0.00 C ATOM 360 CD LYS A 44 -21.000 9.096 -5.881 1.00 0.00 C ATOM 361 CE LYS A 44 -21.105 9.342 -7.379 1.00 0.00 C ATOM 362 NZ LYS A 44 -19.902 8.853 -8.107 1.00 0.00 N ATOM 0 H LYS A 44 -17.123 9.537 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.716 10.804 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.567 8.267 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.090 8.589 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.309 10.531 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.503 10.632 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -20.805 8.039 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.952 9.331 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.993 8.843 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.233 10.409 -7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.012 9.039 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.058 9.348 -7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.794 7.830 -7.952 1.00 0.00 H new ATOM 376 N PRO A 45 -16.967 9.076 -2.182 1.00 0.00 N ATOM 377 CA PRO A 45 -16.210 8.374 -1.148 1.00 0.00 C ATOM 378 C PRO A 45 -15.949 6.913 -1.501 1.00 0.00 C ATOM 379 O PRO A 45 -16.773 6.270 -2.150 1.00 0.00 O ATOM 380 CB PRO A 45 -17.123 8.467 0.069 1.00 0.00 C ATOM 381 CG PRO A 45 -17.946 9.685 -0.156 1.00 0.00 C ATOM 382 CD PRO A 45 -18.148 9.772 -1.635 1.00 0.00 C ATOM 0 HA PRO A 45 -15.221 8.809 -1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -17.749 7.580 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -16.545 8.546 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -18.900 9.614 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -17.441 10.574 0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.076 9.291 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -18.197 10.807 -1.974 1.00 0.00 H new ATOM 390 N PRO A 46 -14.792 6.366 -1.092 1.00 0.00 N ATOM 391 CA PRO A 46 -14.432 4.972 -1.370 1.00 0.00 C ATOM 392 C PRO A 46 -15.510 3.991 -0.923 1.00 0.00 C ATOM 393 O PRO A 46 -16.208 4.230 0.047 1.00 0.00 O ATOM 394 CB PRO A 46 -13.149 4.759 -0.561 1.00 0.00 C ATOM 395 CG PRO A 46 -12.576 6.123 -0.391 1.00 0.00 C ATOM 396 CD PRO A 46 -13.749 7.058 -0.303 1.00 0.00 C ATOM 0 HA PRO A 46 -14.311 4.794 -2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.361 4.296 0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.456 4.101 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.964 6.179 0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.932 6.383 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -14.062 7.215 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.515 8.038 -0.717 1.00 0.00 H new ATOM 404 N GLN A 47 -15.640 2.889 -1.660 1.00 0.00 N ATOM 405 CA GLN A 47 -16.632 1.870 -1.329 1.00 0.00 C ATOM 406 C GLN A 47 -15.969 0.617 -0.767 1.00 0.00 C ATOM 407 O GLN A 47 -16.593 -0.155 -0.039 1.00 0.00 O ATOM 408 CB GLN A 47 -17.453 1.515 -2.571 1.00 0.00 C ATOM 409 CG GLN A 47 -18.023 2.727 -3.291 1.00 0.00 C ATOM 410 CD GLN A 47 -18.024 2.564 -4.797 1.00 0.00 C ATOM 411 OE1 GLN A 47 -18.255 1.471 -5.315 1.00 0.00 O ATOM 412 NE2 GLN A 47 -17.764 3.654 -5.511 1.00 0.00 N ATOM 0 H GLN A 47 -15.075 2.681 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.293 2.277 -0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.825 0.954 -3.263 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.272 0.858 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -19.043 2.902 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.441 3.610 -3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.578 4.540 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.750 3.605 -6.530 1.00 0.00 H new ATOM 421 N ARG A 48 -14.701 0.424 -1.109 1.00 0.00 N ATOM 422 CA ARG A 48 -13.948 -0.732 -0.639 1.00 0.00 C ATOM 423 C ARG A 48 -12.480 -0.622 -1.039 1.00 0.00 C ATOM 424 O ARG A 48 -12.148 -0.007 -2.060 1.00 0.00 O ATOM 425 CB ARG A 48 -14.547 -2.020 -1.212 1.00 0.00 C ATOM 426 CG ARG A 48 -14.508 -3.187 -0.234 1.00 0.00 C ATOM 427 CD ARG A 48 -14.489 -4.511 -0.966 1.00 0.00 C ATOM 428 NE ARG A 48 -15.324 -5.513 -0.309 1.00 0.00 N ATOM 429 CZ ARG A 48 -16.651 -5.553 -0.410 1.00 0.00 C ATOM 430 NH1 ARG A 48 -17.296 -4.649 -1.138 1.00 0.00 N ATOM 431 NH2 ARG A 48 -17.335 -6.499 0.203 1.00 0.00 N ATOM 0 H ARG A 48 -14.172 1.055 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.010 -0.760 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.580 -1.834 -1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.004 -2.294 -2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.625 -3.105 0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.376 -3.144 0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.836 -4.364 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.464 -4.877 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.864 -6.223 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.775 -3.919 -1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.313 -4.685 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.848 -7.203 0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.352 -6.526 0.123 1.00 0.00 H new ATOM 445 N LEU A 49 -11.607 -1.221 -0.238 1.00 0.00 N ATOM 446 CA LEU A 49 -10.175 -1.189 -0.511 1.00 0.00 C ATOM 447 C LEU A 49 -9.457 -2.334 0.182 1.00 0.00 C ATOM 448 O LEU A 49 -9.822 -2.716 1.294 1.00 0.00 O ATOM 449 CB LEU A 49 -9.580 0.150 -0.073 1.00 0.00 C ATOM 450 CG LEU A 49 -8.086 0.321 -0.366 1.00 0.00 C ATOM 451 CD1 LEU A 49 -7.822 1.654 -1.060 1.00 0.00 C ATOM 452 CD2 LEU A 49 -7.273 0.212 0.908 1.00 0.00 C ATOM 0 H LEU A 49 -11.865 -1.734 0.605 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.036 -1.304 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.126 0.953 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.741 0.269 0.999 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.777 -0.481 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.755 1.756 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.372 1.690 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.150 2.470 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.215 0.336 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.585 0.988 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.433 -0.767 1.359 1.00 0.00 H new ATOM 464 N GLU A 50 -8.433 -2.874 -0.453 1.00 0.00 N ATOM 465 CA GLU A 50 -7.659 -3.973 0.097 1.00 0.00 C ATOM 466 C GLU A 50 -6.169 -3.779 -0.153 1.00 0.00 C ATOM 467 O GLU A 50 -5.771 -3.401 -1.255 1.00 0.00 O ATOM 468 CB GLU A 50 -8.125 -5.308 -0.471 1.00 0.00 C ATOM 469 CG GLU A 50 -7.991 -5.392 -1.982 1.00 0.00 C ATOM 470 CD GLU A 50 -8.890 -6.451 -2.590 1.00 0.00 C ATOM 471 OE1 GLU A 50 -8.520 -7.644 -2.539 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.963 -6.088 -3.115 1.00 0.00 O ATOM 0 H GLU A 50 -8.113 -2.561 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.823 -3.982 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.546 -6.112 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.167 -5.470 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.231 -4.423 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.954 -5.609 -2.239 1.00 0.00 H new ATOM 479 N TRP A 51 -5.352 -4.040 0.846 1.00 0.00 N ATOM 480 CA TRP A 51 -3.908 -3.891 0.728 1.00 0.00 C ATOM 481 C TRP A 51 -3.241 -5.241 0.474 1.00 0.00 C ATOM 482 O TRP A 51 -3.552 -6.229 1.139 1.00 0.00 O ATOM 483 CB TRP A 51 -3.329 -3.243 1.979 1.00 0.00 C ATOM 484 CG TRP A 51 -2.343 -2.153 1.686 1.00 0.00 C ATOM 485 CD1 TRP A 51 -2.532 -1.076 0.871 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.014 -2.037 2.207 1.00 0.00 C ATOM 487 NE1 TRP A 51 -1.400 -0.296 0.860 1.00 0.00 N ATOM 488 CE2 TRP A 51 -0.455 -0.865 1.665 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.242 -2.810 3.088 1.00 0.00 C ATOM 490 CZ2 TRP A 51 0.839 -0.447 1.966 1.00 0.00 C ATOM 491 CZ3 TRP A 51 1.042 -2.394 3.379 1.00 0.00 C ATOM 492 CH2 TRP A 51 1.571 -1.222 2.823 1.00 0.00 C ATOM 0 H TRP A 51 -5.664 -4.361 1.762 1.00 0.00 H new ATOM 0 HA TRP A 51 -3.706 -3.242 -0.124 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.144 -2.834 2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.843 -4.009 2.584 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.435 -0.867 0.317 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.284 0.570 0.334 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.643 -3.711 3.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.249 0.456 1.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.651 -2.984 4.048 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.578 -0.924 3.076 1.00 0.00 H new ATOM 503 N LYS A 52 -2.320 -5.275 -0.476 1.00 0.00 N ATOM 504 CA LYS A 52 -1.607 -6.502 -0.801 1.00 0.00 C ATOM 505 C LYS A 52 -0.160 -6.203 -1.175 1.00 0.00 C ATOM 506 O LYS A 52 0.122 -5.232 -1.877 1.00 0.00 O ATOM 507 CB LYS A 52 -2.306 -7.227 -1.960 1.00 0.00 C ATOM 508 CG LYS A 52 -3.338 -8.244 -1.500 1.00 0.00 C ATOM 509 CD LYS A 52 -3.476 -9.385 -2.487 1.00 0.00 C ATOM 510 CE LYS A 52 -4.526 -10.391 -2.042 1.00 0.00 C ATOM 511 NZ LYS A 52 -4.041 -11.793 -2.176 1.00 0.00 N ATOM 0 H LYS A 52 -2.048 -4.467 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.612 -7.144 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.792 -6.490 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.556 -7.731 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.051 -8.638 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.303 -7.753 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.744 -8.988 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.515 -9.887 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.797 -10.198 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.430 -10.261 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.785 -12.449 -1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.806 -11.985 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.193 -11.925 -1.588 1.00 0.00 H new ATOM 525 N LEU A 53 0.755 -7.041 -0.708 1.00 0.00 N ATOM 526 CA LEU A 53 2.174 -6.865 -0.985 1.00 0.00 C ATOM 527 C LEU A 53 2.891 -8.209 -1.041 1.00 0.00 C ATOM 528 O LEU A 53 2.406 -9.206 -0.505 1.00 0.00 O ATOM 529 CB LEU A 53 2.820 -5.972 0.068 1.00 0.00 C ATOM 530 CG LEU A 53 2.754 -6.514 1.496 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.929 -7.440 1.763 1.00 0.00 C ATOM 532 CD2 LEU A 53 2.729 -5.370 2.490 1.00 0.00 C ATOM 0 H LEU A 53 0.538 -7.854 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 53 2.266 -6.384 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.865 -5.817 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.336 -4.995 0.042 1.00 0.00 H new ATOM 0 HG LEU A 53 1.835 -7.088 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.869 -7.819 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.900 -8.276 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.862 -6.891 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.682 -5.769 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.632 -4.771 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.855 -4.746 2.305 1.00 0.00 H new ATOM 544 N ASN A 54 4.049 -8.230 -1.700 1.00 0.00 N ATOM 545 CA ASN A 54 4.834 -9.452 -1.819 1.00 0.00 C ATOM 546 C ASN A 54 6.278 -9.219 -1.387 1.00 0.00 C ATOM 547 O ASN A 54 6.975 -8.373 -1.956 1.00 0.00 O ATOM 548 CB ASN A 54 4.796 -9.962 -3.261 1.00 0.00 C ATOM 549 CG ASN A 54 5.180 -8.890 -4.262 1.00 0.00 C ATOM 550 OD1 ASN A 54 4.783 -7.732 -4.135 1.00 0.00 O ATOM 551 ND2 ASN A 54 5.958 -9.272 -5.269 1.00 0.00 N ATOM 0 H ASN A 54 4.461 -7.416 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 54 4.397 -10.202 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.474 -10.810 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.794 -10.326 -3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.249 -8.595 -5.974 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.265 -10.242 -5.337 1.00 0.00 H new ATOM 558 N THR A 55 6.720 -9.975 -0.396 1.00 0.00 N ATOM 559 CA THR A 55 8.083 -9.851 0.103 1.00 0.00 C ATOM 560 C THR A 55 8.609 -11.199 0.581 1.00 0.00 C ATOM 561 O THR A 55 7.891 -12.199 0.566 1.00 0.00 O ATOM 562 CB THR A 55 8.134 -8.834 1.245 1.00 0.00 C ATOM 563 OG1 THR A 55 7.037 -7.942 1.173 1.00 0.00 O ATOM 564 CG2 THR A 55 9.400 -8.006 1.250 1.00 0.00 C ATOM 0 H THR A 55 6.157 -10.681 0.079 1.00 0.00 H new ATOM 0 HA THR A 55 8.717 -9.504 -0.713 1.00 0.00 H new ATOM 0 HB THR A 55 8.101 -9.425 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.087 -7.301 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.373 -7.305 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.264 -8.662 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.477 -7.453 0.314 1.00 0.00 H new ATOM 572 N GLY A 56 9.869 -11.220 1.006 1.00 0.00 N ATOM 573 CA GLY A 56 10.470 -12.451 1.483 1.00 0.00 C ATOM 574 C GLY A 56 9.746 -13.025 2.685 1.00 0.00 C ATOM 575 O GLY A 56 9.633 -14.243 2.836 1.00 0.00 O ATOM 0 H GLY A 56 10.484 -10.406 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.471 -13.186 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.511 -12.265 1.745 1.00 0.00 H new ATOM 579 N ARG A 57 9.255 -12.147 3.554 1.00 0.00 N ATOM 580 CA ARG A 57 8.540 -12.574 4.751 1.00 0.00 C ATOM 581 C ARG A 57 7.044 -12.302 4.617 1.00 0.00 C ATOM 582 O ARG A 57 6.216 -13.136 4.988 1.00 0.00 O ATOM 583 CB ARG A 57 9.098 -11.860 5.986 1.00 0.00 C ATOM 584 CG ARG A 57 9.672 -12.808 7.026 1.00 0.00 C ATOM 585 CD ARG A 57 10.967 -12.273 7.618 1.00 0.00 C ATOM 586 NE ARG A 57 11.572 -13.215 8.557 1.00 0.00 N ATOM 587 CZ ARG A 57 12.524 -12.885 9.427 1.00 0.00 C ATOM 588 NH1 ARG A 57 12.985 -11.641 9.478 1.00 0.00 N ATOM 589 NH2 ARG A 57 13.019 -13.803 10.247 1.00 0.00 N ATOM 0 H ARG A 57 9.339 -11.136 3.451 1.00 0.00 H new ATOM 0 HA ARG A 57 8.684 -13.648 4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.875 -11.163 5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.305 -11.268 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.943 -12.960 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.854 -13.781 6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.672 -12.060 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.770 -11.330 8.128 1.00 0.00 H new ATOM 0 HE ARG A 57 11.246 -14.181 8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.610 -10.932 8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.715 -11.394 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.670 -14.761 10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.748 -13.551 10.914 1.00 0.00 H new ATOM 603 N THR A 58 6.705 -11.128 4.100 1.00 0.00 N ATOM 604 CA THR A 58 5.310 -10.745 3.916 1.00 0.00 C ATOM 605 C THR A 58 4.582 -10.676 5.256 1.00 0.00 C ATOM 606 O THR A 58 3.694 -11.483 5.527 1.00 0.00 O ATOM 607 CB THR A 58 4.606 -11.737 2.988 1.00 0.00 C ATOM 608 OG1 THR A 58 5.536 -12.356 2.109 1.00 0.00 O ATOM 609 CG2 THR A 58 3.532 -11.099 2.125 1.00 0.00 C ATOM 0 H THR A 58 7.378 -10.423 3.800 1.00 0.00 H new ATOM 0 HA THR A 58 5.288 -9.755 3.461 1.00 0.00 H new ATOM 0 HB THR A 58 4.139 -12.463 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.159 -11.682 1.765 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.074 -11.859 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.770 -10.652 2.764 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.979 -10.327 1.499 1.00 0.00 H new ATOM 617 N GLU A 59 4.963 -9.706 6.080 1.00 0.00 N ATOM 618 CA GLU A 59 4.346 -9.529 7.383 1.00 0.00 C ATOM 619 C GLU A 59 3.586 -8.206 7.466 1.00 0.00 C ATOM 620 O GLU A 59 2.752 -8.015 8.351 1.00 0.00 O ATOM 621 CB GLU A 59 5.411 -9.590 8.481 1.00 0.00 C ATOM 622 CG GLU A 59 5.047 -10.516 9.631 1.00 0.00 C ATOM 623 CD GLU A 59 3.814 -10.054 10.383 1.00 0.00 C ATOM 624 OE1 GLU A 59 3.943 -9.146 11.231 1.00 0.00 O ATOM 625 OE2 GLU A 59 2.722 -10.600 10.125 1.00 0.00 O ATOM 0 H GLU A 59 5.697 -9.031 5.865 1.00 0.00 H new ATOM 0 HA GLU A 59 3.630 -10.338 7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.353 -9.920 8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.576 -8.586 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.877 -11.521 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.887 -10.579 10.322 1.00 0.00 H new ATOM 632 N ALA A 60 3.880 -7.295 6.542 1.00 0.00 N ATOM 633 CA ALA A 60 3.224 -5.992 6.515 1.00 0.00 C ATOM 634 C ALA A 60 1.869 -6.061 5.817 1.00 0.00 C ATOM 635 O ALA A 60 1.043 -5.158 5.957 1.00 0.00 O ATOM 636 CB ALA A 60 4.117 -4.972 5.827 1.00 0.00 C ATOM 0 H ALA A 60 4.568 -7.436 5.802 1.00 0.00 H new ATOM 0 HA ALA A 60 3.052 -5.683 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.618 -4.003 5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.058 -4.887 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.316 -5.293 4.805 1.00 0.00 H new ATOM 642 N TRP A 61 1.646 -7.130 5.061 1.00 0.00 N ATOM 643 CA TRP A 61 0.392 -7.310 4.338 1.00 0.00 C ATOM 644 C TRP A 61 -0.799 -7.282 5.294 1.00 0.00 C ATOM 645 O TRP A 61 -0.936 -8.149 6.158 1.00 0.00 O ATOM 646 CB TRP A 61 0.419 -8.630 3.562 1.00 0.00 C ATOM 647 CG TRP A 61 -0.898 -8.989 2.938 1.00 0.00 C ATOM 648 CD1 TRP A 61 -1.777 -8.137 2.333 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.482 -10.294 2.864 1.00 0.00 C ATOM 650 NE1 TRP A 61 -2.872 -8.834 1.882 1.00 0.00 N ATOM 651 CE2 TRP A 61 -2.715 -10.159 2.191 1.00 0.00 C ATOM 652 CE3 TRP A 61 -1.081 -11.564 3.282 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -3.549 -11.245 1.941 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -1.911 -12.642 3.033 1.00 0.00 C ATOM 655 CH2 TRP A 61 -3.132 -12.476 2.376 1.00 0.00 C ATOM 0 H TRP A 61 2.318 -7.886 4.933 1.00 0.00 H new ATOM 0 HA TRP A 61 0.280 -6.485 3.634 1.00 0.00 H new ATOM 0 HB2 TRP A 61 1.176 -8.567 2.781 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.723 -9.431 4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.633 -7.072 2.225 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.672 -8.430 1.396 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.139 -11.703 3.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -4.489 -11.122 1.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.610 -13.629 3.352 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.762 -13.337 2.207 1.00 0.00 H new ATOM 666 N LYS A 62 -1.659 -6.282 5.129 1.00 0.00 N ATOM 667 CA LYS A 62 -2.840 -6.141 5.980 1.00 0.00 C ATOM 668 C LYS A 62 -4.086 -5.896 5.126 1.00 0.00 C ATOM 669 O LYS A 62 -4.059 -5.113 4.184 1.00 0.00 O ATOM 670 CB LYS A 62 -2.654 -4.990 6.972 1.00 0.00 C ATOM 671 CG LYS A 62 -3.806 -4.842 7.945 1.00 0.00 C ATOM 672 CD LYS A 62 -4.445 -3.463 7.859 1.00 0.00 C ATOM 673 CE LYS A 62 -5.963 -3.546 7.932 1.00 0.00 C ATOM 674 NZ LYS A 62 -6.546 -2.439 8.730 1.00 0.00 N ATOM 0 H LYS A 62 -1.563 -5.558 4.417 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.970 -7.068 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.733 -5.149 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.534 -4.059 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.557 -5.604 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.449 -5.014 8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.074 -2.838 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.150 -2.982 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.376 -3.521 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.253 -4.500 8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.581 -2.535 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.173 -2.477 9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.293 -1.528 8.297 1.00 0.00 H new ATOM 688 N VAL A 63 -5.175 -6.571 5.484 1.00 0.00 N ATOM 689 CA VAL A 63 -6.430 -6.424 4.749 1.00 0.00 C ATOM 690 C VAL A 63 -7.338 -5.402 5.427 1.00 0.00 C ATOM 691 O VAL A 63 -7.512 -5.423 6.645 1.00 0.00 O ATOM 692 CB VAL A 63 -7.177 -7.766 4.641 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.379 -7.635 3.717 1.00 0.00 C ATOM 694 CG2 VAL A 63 -6.240 -8.862 4.164 1.00 0.00 C ATOM 0 H VAL A 63 -5.216 -7.219 6.270 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.177 -6.078 3.747 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.540 -8.041 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.895 -8.593 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.061 -6.882 4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.044 -7.336 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.786 -9.803 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.842 -8.600 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.418 -8.971 4.872 1.00 0.00 H new ATOM 704 N LEU A 64 -7.913 -4.508 4.629 1.00 0.00 N ATOM 705 CA LEU A 64 -8.802 -3.478 5.153 1.00 0.00 C ATOM 706 C LEU A 64 -10.251 -3.955 5.151 1.00 0.00 C ATOM 707 O LEU A 64 -10.703 -4.598 4.212 1.00 0.00 O ATOM 708 CB LEU A 64 -8.669 -2.195 4.336 1.00 0.00 C ATOM 709 CG LEU A 64 -7.798 -1.109 4.968 1.00 0.00 C ATOM 710 CD1 LEU A 64 -6.324 -1.409 4.737 1.00 0.00 C ATOM 711 CD2 LEU A 64 -8.157 0.258 4.404 1.00 0.00 C ATOM 0 H LEU A 64 -7.779 -4.476 3.618 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.511 -3.272 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.257 -2.446 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.665 -1.786 4.166 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.985 -1.099 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.718 -0.626 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.074 -2.370 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.124 -1.446 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.527 1.019 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.998 0.260 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.204 0.476 4.617 1.00 0.00 H new ATOM 723 N SER A 65 -10.973 -3.635 6.221 1.00 0.00 N ATOM 724 CA SER A 65 -12.371 -4.029 6.347 1.00 0.00 C ATOM 725 C SER A 65 -13.240 -2.835 6.737 1.00 0.00 C ATOM 726 O SER A 65 -12.729 -1.799 7.172 1.00 0.00 O ATOM 727 CB SER A 65 -12.517 -5.143 7.392 1.00 0.00 C ATOM 728 OG SER A 65 -12.552 -6.417 6.762 1.00 0.00 O ATOM 0 H SER A 65 -10.612 -3.104 7.013 1.00 0.00 H new ATOM 0 HA SER A 65 -12.707 -4.400 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.685 -5.101 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.429 -4.991 7.969 1.00 0.00 H new ATOM 0 HG SER A 65 -12.644 -7.116 7.443 1.00 0.00 H new ATOM 734 N PRO A 66 -14.571 -2.965 6.604 1.00 0.00 N ATOM 735 CA PRO A 66 -15.510 -1.891 6.937 1.00 0.00 C ATOM 736 C PRO A 66 -15.521 -1.574 8.430 1.00 0.00 C ATOM 737 O PRO A 66 -16.053 -0.546 8.851 1.00 0.00 O ATOM 738 CB PRO A 66 -16.869 -2.445 6.498 1.00 0.00 C ATOM 739 CG PRO A 66 -16.693 -3.923 6.486 1.00 0.00 C ATOM 740 CD PRO A 66 -15.263 -4.166 6.095 1.00 0.00 C ATOM 0 HA PRO A 66 -15.243 -0.955 6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.659 -2.147 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.148 -2.072 5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.908 -4.350 7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.376 -4.392 5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.871 -5.078 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.152 -4.269 5.016 1.00 0.00 H new ATOM 748 N GLN A 67 -14.933 -2.459 9.225 1.00 0.00 N ATOM 749 CA GLN A 67 -14.876 -2.270 10.671 1.00 0.00 C ATOM 750 C GLN A 67 -14.067 -3.379 11.335 1.00 0.00 C ATOM 751 O GLN A 67 -14.582 -4.466 11.595 1.00 0.00 O ATOM 752 CB GLN A 67 -16.290 -2.232 11.264 1.00 0.00 C ATOM 753 CG GLN A 67 -16.328 -1.854 12.736 1.00 0.00 C ATOM 754 CD GLN A 67 -17.653 -1.242 13.138 1.00 0.00 C ATOM 755 OE1 GLN A 67 -18.702 -1.581 12.593 1.00 0.00 O ATOM 756 NE2 GLN A 67 -17.610 -0.332 14.105 1.00 0.00 N ATOM 0 H GLN A 67 -14.488 -3.315 8.894 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.383 -1.317 10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.891 -1.519 10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.753 -3.210 11.138 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.141 -2.741 13.342 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.525 -1.148 12.948 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.717 -0.081 14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.470 0.115 14.423 1.00 0.00 H new ATOM 765 N GLY A 68 -12.797 -3.096 11.605 1.00 0.00 N ATOM 766 CA GLY A 68 -11.937 -4.080 12.244 1.00 0.00 C ATOM 767 C GLY A 68 -10.625 -3.487 12.711 1.00 0.00 C ATOM 768 O GLY A 68 -10.420 -3.296 13.909 1.00 0.00 O ATOM 0 H GLY A 68 -12.347 -2.205 11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.459 -4.515 13.096 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.737 -4.892 11.544 1.00 0.00 H new ATOM 772 N GLY A 69 -9.735 -3.197 11.776 1.00 0.00 N ATOM 773 CA GLY A 69 -8.446 -2.626 12.114 1.00 0.00 C ATOM 774 C GLY A 69 -7.303 -3.595 11.889 1.00 0.00 C ATOM 775 O GLY A 69 -7.429 -4.545 11.117 1.00 0.00 O ATOM 0 H GLY A 69 -9.883 -3.348 10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.281 -1.730 11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.453 -2.315 13.159 1.00 0.00 H new ATOM 779 N GLY A 70 -6.184 -3.356 12.572 1.00 0.00 N ATOM 780 CA GLY A 70 -5.029 -4.224 12.428 1.00 0.00 C ATOM 781 C GLY A 70 -3.735 -3.541 12.823 1.00 0.00 C ATOM 782 O GLY A 70 -3.740 -2.364 13.183 1.00 0.00 O ATOM 0 H GLY A 70 -6.058 -2.579 13.220 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.169 -5.113 13.042 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.958 -4.559 11.393 1.00 0.00 H new ATOM 786 N PRO A 71 -2.601 -4.260 12.780 1.00 0.00 N ATOM 787 CA PRO A 71 -1.295 -3.702 13.139 1.00 0.00 C ATOM 788 C PRO A 71 -0.796 -2.678 12.125 1.00 0.00 C ATOM 789 O PRO A 71 -0.178 -1.678 12.490 1.00 0.00 O ATOM 790 CB PRO A 71 -0.379 -4.926 13.161 1.00 0.00 C ATOM 791 CG PRO A 71 -1.021 -5.897 12.231 1.00 0.00 C ATOM 792 CD PRO A 71 -2.502 -5.672 12.364 1.00 0.00 C ATOM 0 HA PRO A 71 -1.332 -3.163 14.086 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.629 -4.672 12.834 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.293 -5.338 14.166 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.691 -5.733 11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.756 -6.922 12.491 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.021 -5.850 11.422 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.944 -6.340 13.103 1.00 0.00 H new ATOM 800 N TRP A 72 -1.067 -2.935 10.849 1.00 0.00 N ATOM 801 CA TRP A 72 -0.646 -2.034 9.781 1.00 0.00 C ATOM 802 C TRP A 72 -1.231 -0.637 9.979 1.00 0.00 C ATOM 803 O TRP A 72 -0.677 0.350 9.495 1.00 0.00 O ATOM 804 CB TRP A 72 -1.068 -2.590 8.419 1.00 0.00 C ATOM 805 CG TRP A 72 -0.644 -1.730 7.266 1.00 0.00 C ATOM 806 CD1 TRP A 72 0.620 -1.589 6.770 1.00 0.00 C ATOM 807 CD2 TRP A 72 -1.485 -0.893 6.466 1.00 0.00 C ATOM 808 NE1 TRP A 72 0.617 -0.715 5.711 1.00 0.00 N ATOM 809 CE2 TRP A 72 -0.665 -0.273 5.505 1.00 0.00 C ATOM 810 CE3 TRP A 72 -2.854 -0.606 6.476 1.00 0.00 C ATOM 811 CZ2 TRP A 72 -1.167 0.613 4.564 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -3.351 0.276 5.527 1.00 0.00 C ATOM 813 CH2 TRP A 72 -2.510 0.876 4.581 1.00 0.00 C ATOM 0 H TRP A 72 -1.576 -3.759 10.529 1.00 0.00 H new ATOM 0 HA TRP A 72 0.441 -1.958 9.814 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.644 -3.586 8.295 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.152 -2.701 8.400 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.495 -2.092 7.155 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.434 -0.440 5.167 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.509 -1.060 7.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.518 1.082 3.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.407 0.504 5.518 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.928 1.557 3.854 1.00 0.00 H new ATOM 824 N ASP A 73 -2.351 -0.562 10.693 1.00 0.00 N ATOM 825 CA ASP A 73 -3.007 0.715 10.954 1.00 0.00 C ATOM 826 C ASP A 73 -2.049 1.695 11.632 1.00 0.00 C ATOM 827 O ASP A 73 -1.900 2.834 11.182 1.00 0.00 O ATOM 828 CB ASP A 73 -4.243 0.503 11.834 1.00 0.00 C ATOM 829 CG ASP A 73 -4.962 1.800 12.151 1.00 0.00 C ATOM 830 OD1 ASP A 73 -4.402 2.619 12.911 1.00 0.00 O ATOM 831 OD2 ASP A 73 -6.086 1.996 11.642 1.00 0.00 O ATOM 0 H ASP A 73 -2.822 -1.370 11.100 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.314 1.140 9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.931 -0.176 11.330 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.944 0.021 12.765 1.00 0.00 H new ATOM 836 N SER A 74 -1.399 1.242 12.691 1.00 0.00 N ATOM 837 CA SER A 74 -0.454 2.080 13.421 1.00 0.00 C ATOM 838 C SER A 74 0.779 2.388 12.573 1.00 0.00 C ATOM 839 O SER A 74 1.521 3.327 12.859 1.00 0.00 O ATOM 840 CB SER A 74 -0.033 1.395 14.722 1.00 0.00 C ATOM 841 OG SER A 74 0.062 2.330 15.792 1.00 0.00 O ATOM 0 H SER A 74 -1.506 0.300 13.067 1.00 0.00 H new ATOM 0 HA SER A 74 -0.952 3.021 13.656 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.755 0.619 14.977 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.929 0.902 14.581 1.00 0.00 H new ATOM 0 HG SER A 74 0.331 1.864 16.611 1.00 0.00 H new ATOM 847 N VAL A 75 0.993 1.590 11.531 1.00 0.00 N ATOM 848 CA VAL A 75 2.136 1.779 10.646 1.00 0.00 C ATOM 849 C VAL A 75 1.781 2.678 9.467 1.00 0.00 C ATOM 850 O VAL A 75 2.621 3.429 8.970 1.00 0.00 O ATOM 851 CB VAL A 75 2.658 0.433 10.116 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.965 0.628 9.364 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.831 -0.565 11.252 1.00 0.00 C ATOM 0 H VAL A 75 0.390 0.807 11.280 1.00 0.00 H new ATOM 0 HA VAL A 75 2.918 2.258 11.236 1.00 0.00 H new ATOM 0 HB VAL A 75 1.921 0.029 9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.320 -0.335 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.803 1.301 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.710 1.057 10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.201 -1.510 10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.545 -0.172 11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.871 -0.729 11.742 1.00 0.00 H new ATOM 863 N ALA A 76 0.531 2.598 9.028 1.00 0.00 N ATOM 864 CA ALA A 76 0.068 3.405 7.897 1.00 0.00 C ATOM 865 C ALA A 76 -1.454 3.488 7.866 1.00 0.00 C ATOM 866 O ALA A 76 -2.145 2.607 8.379 1.00 0.00 O ATOM 867 CB ALA A 76 0.593 2.836 6.589 1.00 0.00 C ATOM 0 H ALA A 76 -0.179 1.988 9.432 1.00 0.00 H new ATOM 0 HA ALA A 76 0.458 4.415 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.240 3.447 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.683 2.838 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.233 1.814 6.466 1.00 0.00 H new ATOM 873 N ARG A 77 -1.969 4.552 7.261 1.00 0.00 N ATOM 874 CA ARG A 77 -3.410 4.755 7.159 1.00 0.00 C ATOM 875 C ARG A 77 -3.792 5.254 5.770 1.00 0.00 C ATOM 876 O ARG A 77 -2.938 5.700 5.012 1.00 0.00 O ATOM 877 CB ARG A 77 -3.879 5.750 8.232 1.00 0.00 C ATOM 878 CG ARG A 77 -4.883 5.165 9.199 1.00 0.00 C ATOM 879 CD ARG A 77 -4.190 4.358 10.288 1.00 0.00 C ATOM 880 NE ARG A 77 -4.416 4.913 11.620 1.00 0.00 N ATOM 881 CZ ARG A 77 -5.609 4.976 12.198 1.00 0.00 C ATOM 882 NH1 ARG A 77 -6.688 4.516 11.574 1.00 0.00 N ATOM 883 NH2 ARG A 77 -5.726 5.498 13.411 1.00 0.00 N ATOM 0 H ARG A 77 -1.409 5.289 6.833 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.905 3.798 7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.013 6.105 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.321 6.618 7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.466 5.967 9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.583 4.527 8.659 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.550 3.330 10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.119 4.326 10.087 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.612 5.272 12.135 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.604 4.110 10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.600 4.569 12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.901 5.849 13.897 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.641 5.548 13.859 1.00 0.00 H new ATOM 897 N VAL A 78 -5.080 5.175 5.460 1.00 0.00 N ATOM 898 CA VAL A 78 -5.575 5.619 4.155 1.00 0.00 C ATOM 899 C VAL A 78 -6.196 7.008 4.253 1.00 0.00 C ATOM 900 O VAL A 78 -7.148 7.223 5.003 1.00 0.00 O ATOM 901 CB VAL A 78 -6.621 4.640 3.587 1.00 0.00 C ATOM 902 CG1 VAL A 78 -7.010 5.034 2.170 1.00 0.00 C ATOM 903 CG2 VAL A 78 -6.096 3.212 3.632 1.00 0.00 C ATOM 0 H VAL A 78 -5.799 4.811 6.086 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.718 5.650 3.483 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.515 4.691 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.749 4.331 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.433 6.038 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.127 5.016 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.848 2.535 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.185 3.140 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.878 2.937 4.664 1.00 0.00 H new ATOM 913 N LEU A 79 -5.650 7.949 3.490 1.00 0.00 N ATOM 914 CA LEU A 79 -6.150 9.319 3.500 1.00 0.00 C ATOM 915 C LEU A 79 -7.538 9.392 2.855 1.00 0.00 C ATOM 916 O LEU A 79 -7.816 8.699 1.884 1.00 0.00 O ATOM 917 CB LEU A 79 -5.179 10.239 2.745 1.00 0.00 C ATOM 918 CG LEU A 79 -4.640 11.412 3.566 1.00 0.00 C ATOM 919 CD1 LEU A 79 -3.363 11.015 4.290 1.00 0.00 C ATOM 920 CD2 LEU A 79 -4.396 12.619 2.674 1.00 0.00 C ATOM 0 H LEU A 79 -4.864 7.789 2.859 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.228 9.649 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.337 9.644 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.684 10.632 1.863 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.387 11.682 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.994 11.862 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.569 10.180 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.609 10.718 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.013 13.444 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.668 12.362 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.332 12.918 2.202 1.00 0.00 H new ATOM 932 N PRO A 80 -8.431 10.237 3.412 1.00 0.00 N ATOM 933 CA PRO A 80 -9.793 10.393 2.882 1.00 0.00 C ATOM 934 C PRO A 80 -9.812 10.679 1.385 1.00 0.00 C ATOM 935 O PRO A 80 -10.771 10.342 0.691 1.00 0.00 O ATOM 936 CB PRO A 80 -10.338 11.592 3.662 1.00 0.00 C ATOM 937 CG PRO A 80 -9.555 11.608 4.929 1.00 0.00 C ATOM 938 CD PRO A 80 -8.184 11.102 4.573 1.00 0.00 C ATOM 0 HA PRO A 80 -10.381 9.483 3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.207 12.519 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.405 11.485 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.504 12.615 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.021 10.975 5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.505 11.919 4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.733 10.549 5.397 1.00 0.00 H new ATOM 946 N ASN A 81 -8.747 11.304 0.893 1.00 0.00 N ATOM 947 CA ASN A 81 -8.642 11.636 -0.507 1.00 0.00 C ATOM 948 C ASN A 81 -8.269 10.410 -1.339 1.00 0.00 C ATOM 949 O ASN A 81 -8.327 10.445 -2.569 1.00 0.00 O ATOM 950 CB ASN A 81 -7.611 12.743 -0.714 1.00 0.00 C ATOM 951 CG ASN A 81 -8.222 14.001 -1.297 1.00 0.00 C ATOM 952 OD1 ASN A 81 -9.283 13.958 -1.921 1.00 0.00 O ATOM 953 ND2 ASN A 81 -7.554 15.131 -1.099 1.00 0.00 N ATOM 0 H ASN A 81 -7.944 11.589 1.454 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.617 11.990 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.140 12.980 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.824 12.383 -1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.916 16.009 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.678 15.121 -0.576 1.00 0.00 H new ATOM 960 N GLY A 82 -7.888 9.326 -0.676 1.00 0.00 N ATOM 961 CA GLY A 82 -7.513 8.114 -1.370 1.00 0.00 C ATOM 962 C GLY A 82 -6.011 7.945 -1.470 1.00 0.00 C ATOM 963 O GLY A 82 -5.489 7.571 -2.528 1.00 0.00 O ATOM 0 H GLY A 82 -7.832 9.267 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.938 7.255 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.942 8.125 -2.372 1.00 0.00 H new ATOM 967 N SER A 83 -5.312 8.223 -0.374 1.00 0.00 N ATOM 968 CA SER A 83 -3.860 8.102 -0.341 1.00 0.00 C ATOM 969 C SER A 83 -3.411 7.256 0.840 1.00 0.00 C ATOM 970 O SER A 83 -4.232 6.664 1.530 1.00 0.00 O ATOM 971 CB SER A 83 -3.213 9.486 -0.280 1.00 0.00 C ATOM 972 OG SER A 83 -1.807 9.401 -0.431 1.00 0.00 O ATOM 0 H SER A 83 -5.729 8.534 0.504 1.00 0.00 H new ATOM 0 HA SER A 83 -3.540 7.604 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.628 10.119 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.451 9.960 0.672 1.00 0.00 H new ATOM 0 HG SER A 83 -1.436 10.300 -0.550 1.00 0.00 H new ATOM 978 N LEU A 84 -2.101 7.205 1.054 1.00 0.00 N ATOM 979 CA LEU A 84 -1.543 6.433 2.157 1.00 0.00 C ATOM 980 C LEU A 84 -0.312 7.124 2.737 1.00 0.00 C ATOM 981 O LEU A 84 0.717 7.240 2.080 1.00 0.00 O ATOM 982 CB LEU A 84 -1.180 5.023 1.685 1.00 0.00 C ATOM 983 CG LEU A 84 -1.762 3.889 2.531 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.889 2.617 1.705 1.00 0.00 C ATOM 985 CD2 LEU A 84 -0.898 3.644 3.768 1.00 0.00 C ATOM 0 H LEU A 84 -1.409 7.687 0.481 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.298 6.363 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.521 4.901 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.094 4.928 1.674 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.758 4.183 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.305 1.822 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.548 2.799 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.905 2.319 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.328 2.834 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.111 3.372 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.861 4.551 4.371 1.00 0.00 H new ATOM 997 N PHE A 85 -0.427 7.580 3.981 1.00 0.00 N ATOM 998 CA PHE A 85 0.677 8.259 4.650 1.00 0.00 C ATOM 999 C PHE A 85 1.278 7.371 5.744 1.00 0.00 C ATOM 1000 O PHE A 85 0.556 6.786 6.545 1.00 0.00 O ATOM 1001 CB PHE A 85 0.196 9.580 5.258 1.00 0.00 C ATOM 1002 CG PHE A 85 1.249 10.304 6.060 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.573 10.301 5.641 1.00 0.00 C ATOM 1004 CD2 PHE A 85 0.912 10.990 7.209 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.540 10.967 6.370 1.00 0.00 C ATOM 1006 CE2 PHE A 85 1.876 11.657 7.941 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.191 11.646 7.522 1.00 0.00 C ATOM 0 H PHE A 85 -1.272 7.492 4.545 1.00 0.00 H new ATOM 0 HA PHE A 85 1.448 8.467 3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.149 10.233 4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.663 9.382 5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.849 9.775 4.739 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.116 11.006 7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.568 10.957 6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.600 12.187 8.841 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.945 12.167 8.093 1.00 0.00 H new ATOM 1017 N LEU A 86 2.604 7.274 5.749 1.00 0.00 N ATOM 1018 CA LEU A 86 3.300 6.458 6.735 1.00 0.00 C ATOM 1019 C LEU A 86 4.134 7.330 7.674 1.00 0.00 C ATOM 1020 O LEU A 86 5.053 8.018 7.234 1.00 0.00 O ATOM 1021 CB LEU A 86 4.199 5.437 6.044 1.00 0.00 C ATOM 1022 CG LEU A 86 3.462 4.394 5.195 1.00 0.00 C ATOM 1023 CD1 LEU A 86 2.864 5.037 3.954 1.00 0.00 C ATOM 1024 CD2 LEU A 86 4.398 3.259 4.813 1.00 0.00 C ATOM 0 H LEU A 86 3.215 7.748 5.084 1.00 0.00 H new ATOM 0 HA LEU A 86 2.549 5.931 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.905 5.969 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.784 4.918 6.803 1.00 0.00 H new ATOM 0 HG LEU A 86 2.648 3.981 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.346 4.280 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.158 5.812 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.659 5.480 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.857 2.529 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.235 3.655 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.774 2.778 5.716 1.00 0.00 H new ATOM 1036 N PRO A 87 3.823 7.317 8.985 1.00 0.00 N ATOM 1037 CA PRO A 87 4.556 8.115 9.974 1.00 0.00 C ATOM 1038 C PRO A 87 6.049 7.807 9.980 1.00 0.00 C ATOM 1039 O PRO A 87 6.879 8.708 10.091 1.00 0.00 O ATOM 1040 CB PRO A 87 3.929 7.702 11.310 1.00 0.00 C ATOM 1041 CG PRO A 87 2.586 7.167 10.953 1.00 0.00 C ATOM 1042 CD PRO A 87 2.743 6.528 9.612 1.00 0.00 C ATOM 0 HA PRO A 87 4.482 9.182 9.762 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.534 6.948 11.814 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.849 8.552 11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.245 6.443 11.693 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.844 7.965 10.921 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.011 5.475 9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.821 6.576 9.033 1.00 0.00 H new ATOM 1050 N ALA A 88 6.384 6.528 9.844 1.00 0.00 N ATOM 1051 CA ALA A 88 7.778 6.102 9.818 1.00 0.00 C ATOM 1052 C ALA A 88 7.986 4.945 8.846 1.00 0.00 C ATOM 1053 O ALA A 88 7.595 3.811 9.122 1.00 0.00 O ATOM 1054 CB ALA A 88 8.226 5.705 11.217 1.00 0.00 C ATOM 0 H ALA A 88 5.709 5.769 9.750 1.00 0.00 H new ATOM 0 HA ALA A 88 8.383 6.940 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.269 5.388 11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.124 6.558 11.888 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.607 4.884 11.578 1.00 0.00 H new ATOM 1060 N VAL A 89 8.606 5.240 7.716 1.00 0.00 N ATOM 1061 CA VAL A 89 8.867 4.225 6.695 1.00 0.00 C ATOM 1062 C VAL A 89 10.286 3.683 6.819 1.00 0.00 C ATOM 1063 O VAL A 89 11.257 4.433 6.731 1.00 0.00 O ATOM 1064 CB VAL A 89 8.665 4.783 5.274 1.00 0.00 C ATOM 1065 CG1 VAL A 89 8.757 3.669 4.242 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.330 5.507 5.171 1.00 0.00 C ATOM 0 H VAL A 89 8.940 6.174 7.477 1.00 0.00 H new ATOM 0 HA VAL A 89 8.152 3.419 6.860 1.00 0.00 H new ATOM 0 HB VAL A 89 9.460 5.501 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.612 4.084 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.739 3.199 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.986 2.924 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.204 5.895 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.521 4.812 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.308 6.333 5.882 1.00 0.00 H new ATOM 1076 N GLY A 90 10.400 2.374 7.032 1.00 0.00 N ATOM 1077 CA GLY A 90 11.706 1.758 7.158 1.00 0.00 C ATOM 1078 C GLY A 90 11.718 0.311 6.705 1.00 0.00 C ATOM 1079 O GLY A 90 11.069 -0.044 5.721 1.00 0.00 O ATOM 0 H GLY A 90 9.612 1.732 7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.428 2.324 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.029 1.811 8.198 1.00 0.00 H new ATOM 1083 N ILE A 91 12.461 -0.525 7.432 1.00 0.00 N ATOM 1084 CA ILE A 91 12.561 -1.942 7.094 1.00 0.00 C ATOM 1085 C ILE A 91 11.183 -2.594 7.021 1.00 0.00 C ATOM 1086 O ILE A 91 10.982 -3.561 6.286 1.00 0.00 O ATOM 1087 CB ILE A 91 13.419 -2.699 8.125 1.00 0.00 C ATOM 1088 CG1 ILE A 91 12.850 -2.509 9.533 1.00 0.00 C ATOM 1089 CG2 ILE A 91 14.865 -2.228 8.062 1.00 0.00 C ATOM 1090 CD1 ILE A 91 12.022 -3.682 10.014 1.00 0.00 C ATOM 0 H ILE A 91 12.998 -0.246 8.253 1.00 0.00 H new ATOM 0 HA ILE A 91 13.036 -2.001 6.115 1.00 0.00 H new ATOM 0 HB ILE A 91 13.395 -3.762 7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.672 -2.345 10.229 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.235 -1.609 9.549 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.458 -2.773 8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.265 -2.412 7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.910 -1.161 8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.651 -3.478 11.018 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.179 -3.833 9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.639 -4.580 10.031 1.00 0.00 H new ATOM 1102 N GLN A 92 10.238 -2.058 7.787 1.00 0.00 N ATOM 1103 CA GLN A 92 8.880 -2.590 7.807 1.00 0.00 C ATOM 1104 C GLN A 92 8.104 -2.186 6.553 1.00 0.00 C ATOM 1105 O GLN A 92 6.980 -2.639 6.348 1.00 0.00 O ATOM 1106 CB GLN A 92 8.141 -2.101 9.054 1.00 0.00 C ATOM 1107 CG GLN A 92 8.617 -2.757 10.341 1.00 0.00 C ATOM 1108 CD GLN A 92 8.770 -1.765 11.477 1.00 0.00 C ATOM 1109 OE1 GLN A 92 8.261 -1.981 12.577 1.00 0.00 O ATOM 1110 NE2 GLN A 92 9.473 -0.670 11.215 1.00 0.00 N ATOM 0 H GLN A 92 10.387 -1.257 8.401 1.00 0.00 H new ATOM 0 HA GLN A 92 8.948 -3.678 7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.265 -1.021 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.075 -2.291 8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.909 -3.532 10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.573 -3.249 10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.877 -0.533 10.288 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.609 0.034 11.940 1.00 0.00 H new ATOM 1119 N ASP A 93 8.705 -1.332 5.727 1.00 0.00 N ATOM 1120 CA ASP A 93 8.059 -0.874 4.502 1.00 0.00 C ATOM 1121 C ASP A 93 8.762 -1.421 3.268 1.00 0.00 C ATOM 1122 O ASP A 93 8.210 -1.386 2.161 1.00 0.00 O ATOM 1123 CB ASP A 93 8.035 0.657 4.458 1.00 0.00 C ATOM 1124 CG ASP A 93 6.624 1.212 4.455 1.00 0.00 C ATOM 1125 OD1 ASP A 93 5.945 1.110 5.498 1.00 0.00 O ATOM 1126 OD2 ASP A 93 6.200 1.747 3.410 1.00 0.00 O ATOM 0 H ASP A 93 9.636 -0.945 5.884 1.00 0.00 H new ATOM 0 HA ASP A 93 7.036 -1.249 4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.576 1.051 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.560 1.001 3.567 1.00 0.00 H new ATOM 1131 N GLU A 94 9.982 -1.923 3.437 1.00 0.00 N ATOM 1132 CA GLU A 94 10.751 -2.474 2.323 1.00 0.00 C ATOM 1133 C GLU A 94 9.938 -3.508 1.551 1.00 0.00 C ATOM 1134 O GLU A 94 8.799 -3.810 1.916 1.00 0.00 O ATOM 1135 CB GLU A 94 12.047 -3.108 2.840 1.00 0.00 C ATOM 1136 CG GLU A 94 13.070 -2.098 3.332 1.00 0.00 C ATOM 1137 CD GLU A 94 14.399 -2.740 3.671 1.00 0.00 C ATOM 1138 OE1 GLU A 94 15.123 -3.148 2.738 1.00 0.00 O ATOM 1139 OE2 GLU A 94 14.718 -2.833 4.875 1.00 0.00 O ATOM 0 H GLU A 94 10.461 -1.960 4.337 1.00 0.00 H new ATOM 0 HA GLU A 94 10.995 -1.657 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.806 -3.793 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.492 -3.703 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.222 -1.337 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.680 -1.590 4.214 1.00 0.00 H new ATOM 1146 N GLY A 95 10.531 -4.047 0.500 1.00 0.00 N ATOM 1147 CA GLY A 95 9.850 -5.043 -0.299 1.00 0.00 C ATOM 1148 C GLY A 95 9.035 -4.423 -1.418 1.00 0.00 C ATOM 1149 O GLY A 95 9.256 -3.271 -1.790 1.00 0.00 O ATOM 0 H GLY A 95 11.472 -3.813 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.583 -5.729 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.194 -5.633 0.341 1.00 0.00 H new ATOM 1153 N ILE A 96 8.092 -5.189 -1.955 1.00 0.00 N ATOM 1154 CA ILE A 96 7.241 -4.709 -3.038 1.00 0.00 C ATOM 1155 C ILE A 96 5.813 -4.481 -2.554 1.00 0.00 C ATOM 1156 O ILE A 96 5.224 -5.344 -1.901 1.00 0.00 O ATOM 1157 CB ILE A 96 7.222 -5.698 -4.228 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.650 -6.066 -4.631 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.462 -5.106 -5.397 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.847 -7.547 -4.870 1.00 0.00 C ATOM 0 H ILE A 96 7.897 -6.145 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 96 7.663 -3.762 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 96 6.709 -6.609 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.915 -5.521 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.336 -5.738 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.459 -5.815 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.436 -4.896 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.944 -4.181 -5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.883 -7.735 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.614 -8.097 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.187 -7.877 -5.672 1.00 0.00 H new ATOM 1172 N PHE A 97 5.263 -3.316 -2.884 1.00 0.00 N ATOM 1173 CA PHE A 97 3.903 -2.974 -2.480 1.00 0.00 C ATOM 1174 C PHE A 97 2.949 -3.034 -3.662 1.00 0.00 C ATOM 1175 O PHE A 97 3.363 -2.882 -4.811 1.00 0.00 O ATOM 1176 CB PHE A 97 3.870 -1.576 -1.851 1.00 0.00 C ATOM 1177 CG PHE A 97 4.336 -1.542 -0.423 1.00 0.00 C ATOM 1178 CD1 PHE A 97 3.849 -2.453 0.485 1.00 0.00 C ATOM 1179 CD2 PHE A 97 5.259 -0.596 -0.005 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.276 -2.422 1.799 1.00 0.00 C ATOM 1181 CE2 PHE A 97 5.689 -0.561 1.300 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.197 -1.475 2.203 1.00 0.00 C ATOM 0 H PHE A 97 5.736 -2.595 -3.428 1.00 0.00 H new ATOM 0 HA PHE A 97 3.578 -3.706 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.494 -0.907 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.852 -1.190 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.130 -3.195 0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.645 0.122 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.890 -3.138 2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.409 0.180 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.531 -1.452 3.230 1.00 0.00 H new ATOM 1192 N ARG A 98 1.669 -3.255 -3.384 1.00 0.00 N ATOM 1193 CA ARG A 98 0.655 -3.332 -4.422 1.00 0.00 C ATOM 1194 C ARG A 98 -0.687 -2.812 -3.917 1.00 0.00 C ATOM 1195 O ARG A 98 -1.081 -3.079 -2.782 1.00 0.00 O ATOM 1196 CB ARG A 98 0.504 -4.773 -4.914 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.433 -4.914 -6.103 1.00 0.00 C ATOM 1198 CD ARG A 98 -0.741 -6.372 -6.403 1.00 0.00 C ATOM 1199 NE ARG A 98 -0.129 -6.814 -7.654 1.00 0.00 N ATOM 1200 CZ ARG A 98 -0.465 -6.341 -8.851 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -1.410 -5.416 -8.965 1.00 0.00 N ATOM 1202 NH2 ARG A 98 0.145 -6.794 -9.938 1.00 0.00 N ATOM 0 H ARG A 98 1.309 -3.385 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 98 0.977 -2.704 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.486 -5.160 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.135 -5.391 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.361 -4.380 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.018 -4.449 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.382 -6.995 -5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.821 -6.511 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 98 0.599 -7.527 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.883 -5.064 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.664 -5.057 -9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.872 -7.505 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.113 -6.431 -10.856 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.384 -2.065 -4.776 1.00 0.00 N ATOM 1217 CA CYS A 99 -2.681 -1.504 -4.407 1.00 0.00 C ATOM 1218 C CYS A 99 -3.814 -2.240 -5.117 1.00 0.00 C ATOM 1219 O CYS A 99 -3.621 -2.813 -6.189 1.00 0.00 O ATOM 1220 CB CYS A 99 -2.727 -0.013 -4.749 1.00 0.00 C ATOM 1221 SG CYS A 99 -2.876 1.077 -3.295 1.00 0.00 S ATOM 0 H CYS A 99 -1.075 -1.838 -5.721 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.813 -1.627 -3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -1.823 0.252 -5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.570 0.171 -5.416 1.00 0.00 H new ATOM 1226 N GLN A 100 -4.997 -2.214 -4.511 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.166 -2.872 -5.078 1.00 0.00 C ATOM 1228 C GLN A 100 -7.447 -2.303 -4.477 1.00 0.00 C ATOM 1229 O GLN A 100 -7.679 -2.409 -3.280 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.100 -4.381 -4.833 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.716 -5.206 -5.951 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.488 -6.694 -5.771 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -5.385 -7.196 -5.985 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -7.535 -7.409 -5.375 1.00 0.00 N ATOM 0 H GLN A 100 -5.170 -1.742 -3.624 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.173 -2.688 -6.152 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.058 -4.675 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.611 -4.612 -3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.787 -5.009 -5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.294 -4.890 -6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.432 -6.952 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.442 -8.415 -5.237 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.273 -1.698 -5.322 1.00 0.00 N ATOM 1244 CA ALA A 101 -9.530 -1.111 -4.874 1.00 0.00 C ATOM 1245 C ALA A 101 -10.717 -1.796 -5.538 1.00 0.00 C ATOM 1246 O ALA A 101 -10.869 -1.746 -6.758 1.00 0.00 O ATOM 1247 CB ALA A 101 -9.547 0.382 -5.176 1.00 0.00 C ATOM 0 H ALA A 101 -8.095 -1.601 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.612 -1.257 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.490 0.811 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.721 0.868 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.443 0.537 -6.250 1.00 0.00 H new ATOM 1253 N MET A 102 -11.553 -2.439 -4.730 1.00 0.00 N ATOM 1254 CA MET A 102 -12.724 -3.140 -5.252 1.00 0.00 C ATOM 1255 C MET A 102 -13.876 -2.171 -5.491 1.00 0.00 C ATOM 1256 O MET A 102 -14.318 -1.469 -4.582 1.00 0.00 O ATOM 1257 CB MET A 102 -13.162 -4.231 -4.266 1.00 0.00 C ATOM 1258 CG MET A 102 -14.244 -5.144 -4.819 1.00 0.00 C ATOM 1259 SD MET A 102 -13.570 -6.597 -5.656 1.00 0.00 S ATOM 1260 CE MET A 102 -13.768 -7.838 -4.380 1.00 0.00 C ATOM 0 H MET A 102 -11.444 -2.490 -3.717 1.00 0.00 H new ATOM 0 HA MET A 102 -12.453 -3.597 -6.204 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.295 -4.832 -3.992 1.00 0.00 H new ATOM 0 HB3 MET A 102 -13.526 -3.760 -3.353 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.892 -5.467 -4.004 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.865 -4.583 -5.517 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.397 -8.796 -4.744 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.205 -7.543 -3.495 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.823 -7.931 -4.124 1.00 0.00 H new ATOM 1270 N ASN A 103 -14.357 -2.142 -6.730 1.00 0.00 N ATOM 1271 CA ASN A 103 -15.458 -1.261 -7.103 1.00 0.00 C ATOM 1272 C ASN A 103 -16.781 -2.019 -7.109 1.00 0.00 C ATOM 1273 O ASN A 103 -16.856 -3.162 -6.659 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.201 -0.646 -8.488 1.00 0.00 C ATOM 1275 CG ASN A 103 -15.633 0.806 -8.553 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -15.071 1.635 -7.682 1.00 0.00 O flip ATOM 1277 ND2 ASN A 103 -16.463 1.177 -9.383 1.00 0.00 N flip ATOM 0 H ASN A 103 -14.002 -2.719 -7.493 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.520 -0.463 -6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -14.140 -0.720 -8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -15.738 -1.218 -9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -16.869 0.505 -10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.744 2.157 -9.420 1.00 0.00 H new ATOM 1284 N ARG A 104 -17.823 -1.374 -7.623 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.145 -1.985 -7.696 1.00 0.00 C ATOM 1286 C ARG A 104 -19.156 -3.170 -8.650 1.00 0.00 C ATOM 1287 O ARG A 104 -19.949 -4.099 -8.497 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.186 -0.952 -8.132 1.00 0.00 C ATOM 1289 CG ARG A 104 -20.816 -0.199 -6.972 1.00 0.00 C ATOM 1290 CD ARG A 104 -21.913 0.742 -7.438 1.00 0.00 C ATOM 1291 NE ARG A 104 -21.371 1.987 -7.981 1.00 0.00 N ATOM 1292 CZ ARG A 104 -21.013 2.152 -9.254 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -21.134 1.156 -10.123 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -20.532 3.319 -9.659 1.00 0.00 N ATOM 0 H ARG A 104 -17.777 -0.426 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.398 -2.349 -6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -19.716 -0.237 -8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -20.971 -1.455 -8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -21.228 -0.912 -6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.048 0.370 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.517 0.247 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -22.576 0.969 -6.603 1.00 0.00 H new ATOM 0 HE ARG A 104 -21.260 2.778 -7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -21.504 0.255 -9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -20.858 1.291 -11.095 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -20.436 4.089 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -20.257 3.447 -10.633 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.273 -3.132 -9.652 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.189 -4.204 -10.631 1.00 0.00 C ATOM 1310 C ASN A 105 -16.999 -5.118 -10.357 1.00 0.00 C ATOM 1311 O ASN A 105 -16.520 -5.811 -11.264 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.080 -3.626 -12.043 1.00 0.00 C ATOM 1313 CG ASN A 105 -17.084 -2.485 -12.129 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -17.299 -1.415 -11.561 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -15.988 -2.709 -12.843 1.00 0.00 N ATOM 0 H ASN A 105 -17.611 -2.370 -9.801 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.100 -4.796 -10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.783 -4.416 -12.733 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.060 -3.273 -12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.283 -1.978 -12.938 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.851 -3.612 -13.297 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.525 -5.120 -9.124 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.396 -5.959 -8.759 1.00 0.00 C ATOM 1324 C GLY A 106 -14.139 -5.600 -9.526 1.00 0.00 C ATOM 1325 O GLY A 106 -13.400 -6.482 -9.965 1.00 0.00 O ATOM 0 H GLY A 106 -16.901 -4.555 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.206 -5.863 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.647 -7.003 -8.946 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.894 -4.304 -9.689 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.717 -3.833 -10.416 1.00 0.00 C ATOM 1331 C LYS A 107 -11.526 -3.688 -9.466 1.00 0.00 C ATOM 1332 O LYS A 107 -11.695 -3.438 -8.273 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.012 -2.492 -11.086 1.00 0.00 C ATOM 1334 CG LYS A 107 -11.808 -1.882 -11.789 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.104 -0.474 -12.277 1.00 0.00 C ATOM 1336 CE LYS A 107 -10.832 0.347 -12.415 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.120 1.763 -12.775 1.00 0.00 N ATOM 0 H LYS A 107 -14.493 -3.561 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.469 -4.567 -11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.815 -2.627 -11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.376 -1.792 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.959 -1.861 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.522 -2.509 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.614 -0.521 -13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.782 0.019 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.277 0.317 -11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.193 -0.099 -13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.226 2.288 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.627 1.794 -13.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.708 2.197 -12.035 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.324 -3.846 -10.009 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.103 -3.729 -9.228 1.00 0.00 C ATOM 1353 C GLU A 108 -8.121 -2.770 -9.886 1.00 0.00 C ATOM 1354 O GLU A 108 -8.092 -2.654 -11.120 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.453 -5.101 -9.038 1.00 0.00 C ATOM 1356 CG GLU A 108 -8.391 -5.920 -10.324 1.00 0.00 C ATOM 1357 CD GLU A 108 -8.074 -7.380 -10.058 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -7.485 -7.681 -8.998 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -8.417 -8.222 -10.914 1.00 0.00 O ATOM 0 H GLU A 108 -10.171 -4.057 -10.995 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.369 -3.327 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.443 -4.967 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.011 -5.659 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.345 -5.846 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.633 -5.500 -10.984 1.00 0.00 H new ATOM 1366 N THR A 109 -7.319 -2.084 -9.078 1.00 0.00 N ATOM 1367 CA THR A 109 -6.341 -1.139 -9.605 1.00 0.00 C ATOM 1368 C THR A 109 -4.952 -1.768 -9.676 1.00 0.00 C ATOM 1369 O THR A 109 -4.379 -2.138 -8.652 1.00 0.00 O ATOM 1370 CB THR A 109 -6.309 0.131 -8.760 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.307 1.019 -9.214 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.045 -0.134 -7.286 1.00 0.00 C ATOM 0 H THR A 109 -7.327 -2.164 -8.061 1.00 0.00 H new ATOM 0 HA THR A 109 -6.645 -0.874 -10.618 1.00 0.00 H new ATOM 0 HB THR A 109 -7.302 0.567 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.308 1.825 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.035 0.811 -6.743 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.830 -0.775 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.080 -0.628 -7.172 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.418 -1.887 -10.879 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.097 -2.472 -11.088 1.00 0.00 C ATOM 1382 C LYS A 110 -2.001 -1.478 -10.709 1.00 0.00 C ATOM 1383 O LYS A 110 -1.914 -0.392 -11.282 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.931 -2.917 -12.537 1.00 0.00 C ATOM 1385 CG LYS A 110 -2.542 -4.379 -12.686 1.00 0.00 C ATOM 1386 CD LYS A 110 -3.756 -5.255 -12.951 1.00 0.00 C ATOM 1387 CE LYS A 110 -3.372 -6.539 -13.670 1.00 0.00 C ATOM 1388 NZ LYS A 110 -4.324 -6.866 -14.776 1.00 0.00 N ATOM 0 H LYS A 110 -4.881 -1.584 -11.736 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.007 -3.347 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.865 -2.742 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.171 -2.298 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.830 -4.485 -13.504 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.039 -4.717 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.244 -5.498 -12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.480 -4.703 -13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.365 -6.441 -14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.349 -7.362 -12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.027 -7.748 -15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.281 -6.985 -14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.327 -6.093 -15.471 1.00 0.00 H new ATOM 1402 N SER A 111 -1.167 -1.855 -9.745 1.00 0.00 N ATOM 1403 CA SER A 111 -0.078 -0.995 -9.299 1.00 0.00 C ATOM 1404 C SER A 111 0.919 -1.774 -8.445 1.00 0.00 C ATOM 1405 O SER A 111 0.566 -2.308 -7.395 1.00 0.00 O ATOM 1406 CB SER A 111 -0.630 0.191 -8.507 1.00 0.00 C ATOM 1407 OG SER A 111 -1.088 1.214 -9.380 1.00 0.00 O ATOM 0 H SER A 111 -1.225 -2.750 -9.258 1.00 0.00 H new ATOM 0 HA SER A 111 0.443 -0.623 -10.182 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.449 -0.142 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.145 0.587 -7.851 1.00 0.00 H new ATOM 0 HG SER A 111 -1.213 0.845 -10.279 1.00 0.00 H new ATOM 1413 N ASN A 112 2.165 -1.828 -8.903 1.00 0.00 N ATOM 1414 CA ASN A 112 3.216 -2.537 -8.182 1.00 0.00 C ATOM 1415 C ASN A 112 4.470 -1.677 -8.084 1.00 0.00 C ATOM 1416 O ASN A 112 5.092 -1.342 -9.092 1.00 0.00 O ATOM 1417 CB ASN A 112 3.544 -3.856 -8.883 1.00 0.00 C ATOM 1418 CG ASN A 112 4.250 -4.837 -7.967 1.00 0.00 C ATOM 1419 OD1 ASN A 112 5.320 -5.349 -8.294 1.00 0.00 O ATOM 1420 ND2 ASN A 112 3.650 -5.105 -6.813 1.00 0.00 N ATOM 0 H ASN A 112 2.472 -1.389 -9.771 1.00 0.00 H new ATOM 0 HA ASN A 112 2.857 -2.750 -7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.623 -4.307 -9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.172 -3.657 -9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.076 -5.759 -6.156 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.763 -4.657 -6.583 1.00 0.00 H new ATOM 1427 N TYR A 113 4.836 -1.316 -6.850 1.00 0.00 N ATOM 1428 CA TYR A 113 6.014 -0.488 -6.624 1.00 0.00 C ATOM 1429 C TYR A 113 7.002 -1.188 -5.696 1.00 0.00 C ATOM 1430 O TYR A 113 6.612 -1.786 -4.685 1.00 0.00 O ATOM 1431 CB TYR A 113 5.610 0.862 -6.024 1.00 0.00 C ATOM 1432 CG TYR A 113 4.290 1.392 -6.531 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.957 1.291 -7.884 1.00 0.00 C ATOM 1434 CD2 TYR A 113 3.378 1.992 -5.680 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.751 1.773 -8.350 1.00 0.00 C ATOM 1436 CE2 TYR A 113 2.171 2.476 -6.139 1.00 0.00 C ATOM 1437 CZ TYR A 113 1.862 2.365 -7.477 1.00 0.00 C ATOM 1438 OH TYR A 113 0.662 2.846 -7.946 1.00 0.00 O ATOM 0 H TYR A 113 4.336 -1.584 -6.002 1.00 0.00 H new ATOM 0 HA TYR A 113 6.498 -0.322 -7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 113 5.558 0.764 -4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.390 1.592 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.651 0.831 -8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.618 2.083 -4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 113 2.503 1.687 -9.398 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.474 2.938 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 113 0.462 2.437 -8.814 1.00 0.00 H new ATOM 1448 N ARG A 114 8.285 -1.097 -6.025 1.00 0.00 N ATOM 1449 CA ARG A 114 9.334 -1.710 -5.219 1.00 0.00 C ATOM 1450 C ARG A 114 10.001 -0.664 -4.333 1.00 0.00 C ATOM 1451 O ARG A 114 10.745 0.190 -4.817 1.00 0.00 O ATOM 1452 CB ARG A 114 10.376 -2.378 -6.119 1.00 0.00 C ATOM 1453 CG ARG A 114 10.925 -3.676 -5.560 1.00 0.00 C ATOM 1454 CD ARG A 114 12.196 -3.441 -4.760 1.00 0.00 C ATOM 1455 NE ARG A 114 12.737 -4.683 -4.205 1.00 0.00 N ATOM 1456 CZ ARG A 114 13.322 -5.625 -4.941 1.00 0.00 C ATOM 1457 NH1 ARG A 114 13.443 -5.471 -6.254 1.00 0.00 N ATOM 1458 NH2 ARG A 114 13.789 -6.723 -4.363 1.00 0.00 N ATOM 0 H ARG A 114 8.625 -0.602 -6.849 1.00 0.00 H new ATOM 0 HA ARG A 114 8.881 -2.471 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.929 -2.573 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.201 -1.685 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.175 -4.146 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.130 -4.368 -6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.945 -2.974 -5.400 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.989 -2.742 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 114 12.661 -4.835 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 114 13.087 -4.628 -6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 114 13.892 -6.196 -6.813 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.700 -6.846 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.237 -7.445 -4.927 1.00 0.00 H new ATOM 1472 N VAL A 115 9.723 -0.727 -3.035 1.00 0.00 N ATOM 1473 CA VAL A 115 10.290 0.226 -2.096 1.00 0.00 C ATOM 1474 C VAL A 115 11.447 -0.380 -1.302 1.00 0.00 C ATOM 1475 O VAL A 115 11.350 -1.496 -0.789 1.00 0.00 O ATOM 1476 CB VAL A 115 9.225 0.729 -1.104 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.772 1.877 -0.268 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.964 1.151 -1.833 1.00 0.00 C ATOM 0 H VAL A 115 9.111 -1.426 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 115 10.663 1.060 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 115 8.970 -0.092 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.005 2.219 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.643 1.537 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.060 2.699 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.227 1.502 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.199 1.954 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.559 0.300 -2.381 1.00 0.00 H new ATOM 1488 N ARG A 116 12.540 0.370 -1.216 1.00 0.00 N ATOM 1489 CA ARG A 116 13.721 -0.076 -0.488 1.00 0.00 C ATOM 1490 C ARG A 116 14.266 1.051 0.375 1.00 0.00 C ATOM 1491 O ARG A 116 14.216 2.220 0.001 1.00 0.00 O ATOM 1492 CB ARG A 116 14.799 -0.553 -1.455 1.00 0.00 C ATOM 1493 CG ARG A 116 15.994 -1.200 -0.773 1.00 0.00 C ATOM 1494 CD ARG A 116 15.783 -2.693 -0.579 1.00 0.00 C ATOM 1495 NE ARG A 116 16.423 -3.476 -1.633 1.00 0.00 N ATOM 1496 CZ ARG A 116 16.564 -4.799 -1.591 1.00 0.00 C ATOM 1497 NH1 ARG A 116 16.111 -5.489 -0.551 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.157 -5.434 -2.593 1.00 0.00 N ATOM 0 H ARG A 116 12.632 1.292 -1.643 1.00 0.00 H new ATOM 0 HA ARG A 116 13.432 -0.908 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.359 -1.267 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.145 0.295 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.890 -1.033 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.163 -0.727 0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.183 -2.993 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.715 -2.910 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 116 16.783 -2.980 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 116 15.652 -5.005 0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 116 16.222 -6.503 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.505 -4.909 -3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 116 17.265 -6.448 -2.561 1.00 0.00 H new ATOM 1512 N VAL A 117 14.782 0.698 1.549 1.00 0.00 N ATOM 1513 CA VAL A 117 15.326 1.694 2.465 1.00 0.00 C ATOM 1514 C VAL A 117 16.836 1.837 2.295 1.00 0.00 C ATOM 1515 O VAL A 117 17.503 0.939 1.782 1.00 0.00 O ATOM 1516 CB VAL A 117 15.004 1.351 3.934 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.512 1.113 4.110 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.805 0.143 4.406 1.00 0.00 C ATOM 0 H VAL A 117 14.835 -0.263 1.886 1.00 0.00 H new ATOM 0 HA VAL A 117 14.850 2.642 2.216 1.00 0.00 H new ATOM 0 HB VAL A 117 15.293 2.202 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.302 0.872 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 117 12.964 2.012 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.199 0.284 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.557 -0.075 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.561 -0.720 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.870 0.359 4.325 1.00 0.00 H new ATOM 1528 N TYR A 118 17.366 2.977 2.727 1.00 0.00 N ATOM 1529 CA TYR A 118 18.796 3.250 2.632 1.00 0.00 C ATOM 1530 C TYR A 118 19.620 2.147 3.285 1.00 0.00 C ATOM 1531 O TYR A 118 20.178 1.284 2.605 1.00 0.00 O ATOM 1532 CB TYR A 118 19.121 4.602 3.266 1.00 0.00 C ATOM 1533 CG TYR A 118 19.165 5.746 2.278 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.224 5.849 1.261 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.148 6.725 2.372 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.261 6.894 0.358 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.191 7.773 1.472 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.246 7.853 0.463 1.00 0.00 C ATOM 1539 OH TYR A 118 19.285 8.896 -0.418 1.00 0.00 O ATOM 0 H TYR A 118 16.823 3.731 3.149 1.00 0.00 H new ATOM 0 HA TYR A 118 19.060 3.281 1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.376 4.823 4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.084 4.533 3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.451 5.100 1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 118 20.887 6.666 3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.522 6.959 -0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 118 20.959 8.527 1.555 1.00 0.00 H new ATOM 0 HH TYR A 118 20.042 9.480 -0.201 1.00 0.00 H new ATOM 1549 N GLN A 119 19.698 2.182 4.611 1.00 0.00 N ATOM 1550 CA GLN A 119 20.459 1.189 5.361 1.00 0.00 C ATOM 1551 C GLN A 119 19.740 -0.156 5.380 1.00 0.00 C ATOM 1552 O GLN A 119 18.534 -0.225 5.606 1.00 0.00 O ATOM 1553 CB GLN A 119 20.690 1.669 6.794 1.00 0.00 C ATOM 1554 CG GLN A 119 21.725 2.775 6.906 1.00 0.00 C ATOM 1555 CD GLN A 119 21.825 3.342 8.309 1.00 0.00 C ATOM 1556 OE1 GLN A 119 20.723 3.894 8.812 1.00 0.00 O flip ATOM 1557 NE2 GLN A 119 22.878 3.281 8.942 1.00 0.00 N flip ATOM 0 H GLN A 119 19.243 2.888 5.189 1.00 0.00 H new ATOM 0 HA GLN A 119 21.420 1.060 4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 119 19.745 2.024 7.206 1.00 0.00 H new ATOM 0 HB3 GLN A 119 21.007 0.824 7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 119 22.698 2.388 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 119 21.471 3.576 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 119 23.701 2.850 8.522 1.00 0.00 H new ATOM 0 HE22 GLN A 119 22.928 3.661 9.887 1.00 0.00 H new ATOM 1566 N ILE A 120 20.489 -1.225 5.121 1.00 0.00 N ATOM 1567 CA ILE A 120 19.924 -2.570 5.112 1.00 0.00 C ATOM 1568 C ILE A 120 20.524 -3.429 6.224 1.00 0.00 C ATOM 1569 O ILE A 120 21.732 -3.393 6.453 1.00 0.00 O ATOM 1570 CB ILE A 120 20.147 -3.273 3.746 1.00 0.00 C ATOM 1571 CG1 ILE A 120 21.360 -2.680 3.027 1.00 0.00 C ATOM 1572 CG2 ILE A 120 18.900 -3.159 2.882 1.00 0.00 C ATOM 1573 CD1 ILE A 120 21.625 -3.298 1.670 1.00 0.00 C ATOM 0 H ILE A 120 21.487 -1.185 4.915 1.00 0.00 H new ATOM 0 HA ILE A 120 18.853 -2.462 5.281 1.00 0.00 H new ATOM 0 HB ILE A 120 20.344 -4.330 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 120 21.210 -1.607 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 120 22.242 -2.810 3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 120 19.072 -3.657 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 120 18.060 -3.631 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 120 18.673 -2.107 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 120 22.499 -2.828 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 120 21.807 -4.366 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 120 20.759 -3.145 1.025 1.00 0.00 H new ATOM 1585 N PRO A 121 19.688 -4.218 6.915 1.00 0.00 N ATOM 1586 CA PRO A 121 20.152 -5.086 8.012 1.00 0.00 C ATOM 1587 C PRO A 121 21.306 -5.985 7.575 1.00 0.00 C ATOM 1588 O PRO A 121 22.253 -6.151 8.380 1.00 0.00 O ATOM 1589 CB PRO A 121 18.917 -5.926 8.342 1.00 0.00 C ATOM 1590 CG PRO A 121 17.761 -5.093 7.909 1.00 0.00 C ATOM 1591 CD PRO A 121 18.233 -4.328 6.703 1.00 0.00 C ATOM 1592 OXT PRO A 121 21.252 -6.518 6.446 1.00 0.00 O ATOM 0 HA PRO A 121 20.533 -4.515 8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 121 18.936 -6.880 7.815 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.865 -6.151 9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 121 16.901 -5.716 7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.448 -4.416 8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.001 -4.854 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.761 -3.348 6.639 1.00 0.00 H new TER 1600 PRO A 121