USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -98:sc= 0.35 USER MOD Single : A 16 CYS SG : rot -19:sc= -3.27! USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= 0.133 (180deg=0.0178) USER MOD Single : A 22 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.68) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0.8 K(o=0.8,f=-4.2!) USER MOD Single : A 29 HIS : no HD1:sc= -3.14! X(o=-3.1!,f=-2.7) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.0631 (180deg=-0.324) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.45 K(o=-1.4,f=-0.45) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.135 USER MOD Single : A 46 SER OG : rot -64:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.1) USER MOD Single : A 63 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.62) USER MOD Single : A 66 ASN : amide:sc= 1.18 K(o=1.2,f=-2!) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc=-0.000551 (180deg=-0.0911) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 72 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.11) USER MOD Single : A 73 GLN : amide:sc= -0.991 K(o=-0.99,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.381 X(o=0.38,f=-0.023) USER MOD Single : A 77 SER OG : rot 73:sc= 1.26 USER MOD Single : A 84 ASN : amide:sc= -0.0242 K(o=-0.024,f=-4.7!) USER MOD Single : A 95 THR OG1 : rot -149:sc= 0.123 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 1.15 K(o=1.2,f=-1.5!) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= 0.878 (180deg=0.175) USER MOD Single : A 105 GLN : amide:sc= -0.8 K(o=-0.8,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N PRO A 7 -6.681 -19.537 1.706 1.00 0.00 N ATOM 42 CA PRO A 7 -6.055 -18.701 2.742 1.00 0.00 C ATOM 43 C PRO A 7 -5.418 -17.436 2.190 1.00 0.00 C ATOM 44 O PRO A 7 -5.248 -16.450 2.906 1.00 0.00 O ATOM 45 CB PRO A 7 -4.970 -19.605 3.335 1.00 0.00 C ATOM 46 CG PRO A 7 -4.705 -20.635 2.293 1.00 0.00 C ATOM 47 CD PRO A 7 -6.007 -20.840 1.575 1.00 0.00 C ATOM 0 HA PRO A 7 -6.797 -18.356 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.068 -19.038 3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.305 -20.064 4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.928 -20.303 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.357 -21.565 2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.851 -21.108 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.592 -21.642 2.026 1.00 0.00 H new ATOM 55 N PHE A 8 -5.060 -17.475 0.922 1.00 0.00 N ATOM 56 CA PHE A 8 -4.368 -16.370 0.289 1.00 0.00 C ATOM 57 C PHE A 8 -4.791 -16.254 -1.161 1.00 0.00 C ATOM 58 O PHE A 8 -5.131 -17.256 -1.794 1.00 0.00 O ATOM 59 CB PHE A 8 -2.858 -16.564 0.411 1.00 0.00 C ATOM 60 CG PHE A 8 -2.299 -16.005 1.686 1.00 0.00 C ATOM 61 CD1 PHE A 8 -1.972 -14.664 1.778 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.126 -16.812 2.799 1.00 0.00 C ATOM 63 CE1 PHE A 8 -1.482 -14.136 2.953 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.632 -16.291 3.976 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.314 -14.949 4.053 1.00 0.00 C ATOM 0 H PHE A 8 -5.239 -18.267 0.305 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.633 -15.441 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.628 -17.628 0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.366 -16.086 -0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.102 -14.023 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.381 -17.860 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.230 -13.087 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.494 -16.930 4.835 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.933 -14.537 4.976 1.00 0.00 H new ATOM 75 N THR A 9 -4.767 -15.039 -1.685 1.00 0.00 N ATOM 76 CA THR A 9 -5.314 -14.777 -2.998 1.00 0.00 C ATOM 77 C THR A 9 -5.020 -13.342 -3.421 1.00 0.00 C ATOM 78 O THR A 9 -5.278 -12.400 -2.667 1.00 0.00 O ATOM 79 CB THR A 9 -6.838 -15.052 -3.017 1.00 0.00 C ATOM 80 OG1 THR A 9 -7.383 -14.814 -4.319 1.00 0.00 O ATOM 81 CG2 THR A 9 -7.569 -14.201 -1.989 1.00 0.00 C ATOM 0 H THR A 9 -4.374 -14.222 -1.218 1.00 0.00 H new ATOM 0 HA THR A 9 -4.837 -15.449 -3.711 1.00 0.00 H new ATOM 0 HB THR A 9 -6.981 -16.101 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.346 -14.995 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.636 -14.419 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.189 -14.428 -0.993 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.406 -13.146 -2.208 1.00 0.00 H new ATOM 89 N MET A 10 -4.421 -13.203 -4.604 1.00 0.00 N ATOM 90 CA MET A 10 -4.095 -11.905 -5.197 1.00 0.00 C ATOM 91 C MET A 10 -2.928 -11.278 -4.457 1.00 0.00 C ATOM 92 O MET A 10 -1.813 -11.214 -4.979 1.00 0.00 O ATOM 93 CB MET A 10 -5.296 -10.948 -5.174 1.00 0.00 C ATOM 94 CG MET A 10 -6.510 -11.446 -5.939 1.00 0.00 C ATOM 95 SD MET A 10 -7.914 -10.321 -5.799 1.00 0.00 S ATOM 96 CE MET A 10 -9.168 -11.233 -6.697 1.00 0.00 C ATOM 0 H MET A 10 -4.146 -13.996 -5.184 1.00 0.00 H new ATOM 0 HA MET A 10 -3.825 -12.077 -6.239 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.583 -10.769 -4.138 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.988 -9.988 -5.590 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.249 -11.569 -6.990 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.795 -12.429 -5.564 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.099 -10.666 -6.699 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.837 -11.392 -7.723 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.332 -12.197 -6.215 1.00 0.00 H new ATOM 106 N LEU A 11 -3.199 -10.846 -3.230 1.00 0.00 N ATOM 107 CA LEU A 11 -2.213 -10.200 -2.374 1.00 0.00 C ATOM 108 C LEU A 11 -1.768 -8.848 -2.948 1.00 0.00 C ATOM 109 O LEU A 11 -1.901 -8.586 -4.145 1.00 0.00 O ATOM 110 CB LEU A 11 -1.002 -11.114 -2.120 1.00 0.00 C ATOM 111 CG LEU A 11 -1.164 -12.158 -1.019 1.00 0.00 C ATOM 112 CD1 LEU A 11 -1.751 -11.524 0.231 1.00 0.00 C ATOM 113 CD2 LEU A 11 -2.022 -13.309 -1.514 1.00 0.00 C ATOM 0 H LEU A 11 -4.119 -10.936 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.695 -10.011 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.762 -11.631 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.145 -10.487 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.184 -12.556 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.860 -12.282 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.087 -10.735 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.728 -11.099 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.131 -14.049 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.005 -12.934 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.546 -13.772 -2.379 1.00 0.00 H new ATOM 125 N PRO A 12 -1.262 -7.956 -2.083 1.00 0.00 N ATOM 126 CA PRO A 12 -0.814 -6.625 -2.490 1.00 0.00 C ATOM 127 C PRO A 12 0.506 -6.659 -3.242 1.00 0.00 C ATOM 128 O PRO A 12 1.279 -7.613 -3.130 1.00 0.00 O ATOM 129 CB PRO A 12 -0.630 -5.900 -1.161 1.00 0.00 C ATOM 130 CG PRO A 12 -0.280 -6.976 -0.209 1.00 0.00 C ATOM 131 CD PRO A 12 -1.090 -8.166 -0.636 1.00 0.00 C ATOM 0 HA PRO A 12 -1.522 -6.151 -3.169 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.158 -5.150 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.541 -5.382 -0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.787 -7.196 -0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.517 -6.687 0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.573 -9.102 -0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.048 -8.207 -0.119 1.00 0.00 H new ATOM 139 N ARG A 13 0.758 -5.610 -3.998 1.00 0.00 N ATOM 140 CA ARG A 13 2.006 -5.472 -4.723 1.00 0.00 C ATOM 141 C ARG A 13 2.781 -4.280 -4.188 1.00 0.00 C ATOM 142 O ARG A 13 2.188 -3.269 -3.805 1.00 0.00 O ATOM 143 CB ARG A 13 1.733 -5.288 -6.217 1.00 0.00 C ATOM 144 CG ARG A 13 0.921 -6.413 -6.828 1.00 0.00 C ATOM 145 CD ARG A 13 0.628 -6.154 -8.294 1.00 0.00 C ATOM 146 NE ARG A 13 -0.227 -7.190 -8.864 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.555 -7.263 -10.150 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.115 -6.347 -11.007 1.00 0.00 N ATOM 149 NH2 ARG A 13 -1.340 -8.246 -10.577 1.00 0.00 N ATOM 0 H ARG A 13 0.109 -4.834 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 13 2.597 -6.377 -4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.205 -4.346 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.684 -5.209 -6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.464 -7.353 -6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.016 -6.525 -6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.145 -5.183 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.564 -6.108 -8.850 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.596 -7.904 -8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.477 -5.584 -10.679 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.369 -6.407 -11.993 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.689 -8.942 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.593 -8.304 -11.563 1.00 0.00 H new ATOM 163 N LEU A 14 4.100 -4.400 -4.145 1.00 0.00 N ATOM 164 CA LEU A 14 4.940 -3.281 -3.751 1.00 0.00 C ATOM 165 C LEU A 14 5.165 -2.391 -4.962 1.00 0.00 C ATOM 166 O LEU A 14 5.898 -2.748 -5.889 1.00 0.00 O ATOM 167 CB LEU A 14 6.283 -3.769 -3.195 1.00 0.00 C ATOM 168 CG LEU A 14 6.621 -3.291 -1.778 1.00 0.00 C ATOM 169 CD1 LEU A 14 7.992 -3.797 -1.361 1.00 0.00 C ATOM 170 CD2 LEU A 14 6.566 -1.773 -1.693 1.00 0.00 C ATOM 0 H LEU A 14 4.607 -5.254 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 14 4.441 -2.719 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.286 -4.859 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.076 -3.444 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 14 5.877 -3.698 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.217 -3.449 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.998 -4.887 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.745 -3.419 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.809 -1.456 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.286 -1.343 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.564 -1.430 -1.950 1.00 0.00 H new ATOM 182 N CYS A 15 4.507 -1.249 -4.962 1.00 0.00 N ATOM 183 CA CYS A 15 4.532 -0.357 -6.101 1.00 0.00 C ATOM 184 C CYS A 15 5.582 0.725 -5.912 1.00 0.00 C ATOM 185 O CYS A 15 5.431 1.621 -5.079 1.00 0.00 O ATOM 186 CB CYS A 15 3.149 0.262 -6.293 1.00 0.00 C ATOM 187 SG CYS A 15 1.811 -0.949 -6.376 1.00 0.00 S ATOM 0 H CYS A 15 3.945 -0.916 -4.179 1.00 0.00 H new ATOM 0 HA CYS A 15 4.795 -0.926 -6.993 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.952 0.950 -5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.150 0.852 -7.210 1.00 0.00 H new ATOM 0 HG CYS A 15 1.506 -1.174 -7.619 1.00 0.00 H new ATOM 193 N CYS A 16 6.656 0.627 -6.672 1.00 0.00 N ATOM 194 CA CYS A 16 7.705 1.623 -6.630 1.00 0.00 C ATOM 195 C CYS A 16 7.430 2.687 -7.679 1.00 0.00 C ATOM 196 O CYS A 16 7.484 2.412 -8.881 1.00 0.00 O ATOM 197 CB CYS A 16 9.064 0.972 -6.887 1.00 0.00 C ATOM 198 SG CYS A 16 9.367 -0.514 -5.901 1.00 0.00 S ATOM 0 H CYS A 16 6.824 -0.136 -7.328 1.00 0.00 H new ATOM 0 HA CYS A 16 7.724 2.083 -5.642 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.138 0.716 -7.944 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.849 1.699 -6.679 1.00 0.00 H new ATOM 0 HG CYS A 16 8.562 -0.529 -4.881 1.00 0.00 H new ATOM 204 N LEU A 17 7.111 3.888 -7.229 1.00 0.00 N ATOM 205 CA LEU A 17 6.821 4.978 -8.145 1.00 0.00 C ATOM 206 C LEU A 17 8.093 5.699 -8.501 1.00 0.00 C ATOM 207 O LEU A 17 9.099 5.566 -7.818 1.00 0.00 O ATOM 208 CB LEU A 17 5.864 5.996 -7.532 1.00 0.00 C ATOM 209 CG LEU A 17 4.663 5.425 -6.807 1.00 0.00 C ATOM 210 CD1 LEU A 17 3.833 6.541 -6.209 1.00 0.00 C ATOM 211 CD2 LEU A 17 3.825 4.587 -7.743 1.00 0.00 C ATOM 0 H LEU A 17 7.046 4.133 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 17 6.357 4.538 -9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.424 6.617 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.506 6.653 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 17 5.019 4.784 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.973 6.117 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.440 7.107 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.488 7.203 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.967 4.186 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.476 5.205 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.426 3.765 -8.132 1.00 0.00 H new ATOM 223 N GLU A 18 8.029 6.474 -9.557 1.00 0.00 N ATOM 224 CA GLU A 18 9.132 7.324 -9.946 1.00 0.00 C ATOM 225 C GLU A 18 8.699 8.771 -9.825 1.00 0.00 C ATOM 226 O GLU A 18 7.727 9.184 -10.447 1.00 0.00 O ATOM 227 CB GLU A 18 9.556 7.030 -11.382 1.00 0.00 C ATOM 228 CG GLU A 18 10.005 5.598 -11.609 1.00 0.00 C ATOM 229 CD GLU A 18 10.318 5.327 -13.061 1.00 0.00 C ATOM 230 OE1 GLU A 18 9.401 4.928 -13.807 1.00 0.00 O ATOM 231 OE2 GLU A 18 11.480 5.533 -13.467 1.00 0.00 O ATOM 0 H GLU A 18 7.216 6.534 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 18 9.983 7.132 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.722 7.249 -12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.368 7.703 -11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.888 5.395 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.224 4.916 -11.273 1.00 0.00 H new ATOM 238 N LYS A 19 9.410 9.536 -9.026 1.00 0.00 N ATOM 239 CA LYS A 19 9.057 10.925 -8.816 1.00 0.00 C ATOM 240 C LYS A 19 9.376 11.754 -10.054 1.00 0.00 C ATOM 241 O LYS A 19 10.533 12.099 -10.305 1.00 0.00 O ATOM 242 CB LYS A 19 9.788 11.501 -7.607 1.00 0.00 C ATOM 243 CG LYS A 19 9.145 12.771 -7.076 1.00 0.00 C ATOM 244 CD LYS A 19 10.018 13.448 -6.040 1.00 0.00 C ATOM 245 CE LYS A 19 11.247 14.064 -6.680 1.00 0.00 C ATOM 246 NZ LYS A 19 12.137 14.697 -5.672 1.00 0.00 N ATOM 0 H LYS A 19 10.233 9.222 -8.512 1.00 0.00 H new ATOM 0 HA LYS A 19 7.985 10.968 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.813 10.754 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.822 11.710 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.960 13.458 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.176 12.533 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.446 14.221 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.322 12.722 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.799 13.295 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.940 14.810 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.704 15.440 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.561 15.116 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.770 13.978 -5.267 1.00 0.00 H new ATOM 260 N GLY A 20 8.348 12.058 -10.826 1.00 0.00 N ATOM 261 CA GLY A 20 8.518 12.883 -12.000 1.00 0.00 C ATOM 262 C GLY A 20 8.377 14.356 -11.675 1.00 0.00 C ATOM 263 O GLY A 20 8.531 14.752 -10.518 1.00 0.00 O ATOM 0 H GLY A 20 7.392 11.746 -10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.500 12.699 -12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.779 12.604 -12.751 1.00 0.00 H new ATOM 267 N PRO A 21 8.060 15.192 -12.674 1.00 0.00 N ATOM 268 CA PRO A 21 7.931 16.643 -12.488 1.00 0.00 C ATOM 269 C PRO A 21 6.805 17.012 -11.527 1.00 0.00 C ATOM 270 O PRO A 21 6.849 18.049 -10.866 1.00 0.00 O ATOM 271 CB PRO A 21 7.619 17.165 -13.894 1.00 0.00 C ATOM 272 CG PRO A 21 7.107 15.984 -14.647 1.00 0.00 C ATOM 273 CD PRO A 21 7.809 14.790 -14.068 1.00 0.00 C ATOM 0 HA PRO A 21 8.833 17.071 -12.050 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.877 17.963 -13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.510 17.577 -14.367 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.026 15.891 -14.540 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.315 16.080 -15.713 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.192 13.893 -14.124 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.736 14.572 -14.598 1.00 0.00 H new ATOM 281 N ASN A 22 5.806 16.146 -11.439 1.00 0.00 N ATOM 282 CA ASN A 22 4.637 16.404 -10.607 1.00 0.00 C ATOM 283 C ASN A 22 4.726 15.629 -9.300 1.00 0.00 C ATOM 284 O ASN A 22 3.735 15.493 -8.584 1.00 0.00 O ATOM 285 CB ASN A 22 3.357 15.992 -11.341 1.00 0.00 C ATOM 286 CG ASN A 22 3.230 16.613 -12.717 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.732 16.067 -13.697 1.00 0.00 O ATOM 288 ND2 ASN A 22 2.547 17.743 -12.804 1.00 0.00 N ATOM 0 H ASN A 22 5.781 15.255 -11.935 1.00 0.00 H new ATOM 0 HA ASN A 22 4.609 17.472 -10.393 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.334 14.906 -11.436 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.494 16.277 -10.740 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.421 18.194 -13.710 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.147 18.163 -11.965 1.00 0.00 H new ATOM 295 N GLY A 23 5.912 15.122 -8.987 1.00 0.00 N ATOM 296 CA GLY A 23 6.047 14.258 -7.839 1.00 0.00 C ATOM 297 C GLY A 23 5.639 12.840 -8.172 1.00 0.00 C ATOM 298 O GLY A 23 6.157 12.249 -9.118 1.00 0.00 O ATOM 0 H GLY A 23 6.774 15.294 -9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.080 14.270 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.431 14.634 -7.022 1.00 0.00 H new ATOM 302 N TYR A 24 4.699 12.297 -7.417 1.00 0.00 N ATOM 303 CA TYR A 24 4.243 10.937 -7.649 1.00 0.00 C ATOM 304 C TYR A 24 2.834 10.927 -8.239 1.00 0.00 C ATOM 305 O TYR A 24 2.427 9.963 -8.887 1.00 0.00 O ATOM 306 CB TYR A 24 4.305 10.130 -6.353 1.00 0.00 C ATOM 307 CG TYR A 24 5.698 10.058 -5.762 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.635 9.164 -6.261 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.077 10.894 -4.720 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.911 9.100 -5.733 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.351 10.835 -4.186 1.00 0.00 C ATOM 312 CZ TYR A 24 8.265 9.939 -4.697 1.00 0.00 C ATOM 313 OH TYR A 24 9.535 9.882 -4.174 1.00 0.00 O ATOM 0 H TYR A 24 4.239 12.774 -6.642 1.00 0.00 H new ATOM 0 HA TYR A 24 4.907 10.468 -8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.630 10.575 -5.622 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.946 9.119 -6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.363 8.508 -7.075 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.365 11.601 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.628 8.396 -6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.629 11.488 -3.372 1.00 0.00 H new ATOM 0 HH TYR A 24 9.621 10.539 -3.452 1.00 0.00 H new ATOM 323 N GLY A 25 2.099 12.015 -8.016 1.00 0.00 N ATOM 324 CA GLY A 25 0.818 12.200 -8.674 1.00 0.00 C ATOM 325 C GLY A 25 -0.329 11.451 -8.020 1.00 0.00 C ATOM 326 O GLY A 25 -1.267 11.037 -8.699 1.00 0.00 O ATOM 0 H GLY A 25 2.370 12.773 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.581 13.264 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.904 11.876 -9.711 1.00 0.00 H new ATOM 330 N PHE A 26 -0.280 11.285 -6.711 1.00 0.00 N ATOM 331 CA PHE A 26 -1.370 10.629 -6.004 1.00 0.00 C ATOM 332 C PHE A 26 -1.770 11.444 -4.785 1.00 0.00 C ATOM 333 O PHE A 26 -0.956 12.154 -4.199 1.00 0.00 O ATOM 334 CB PHE A 26 -0.981 9.201 -5.586 1.00 0.00 C ATOM 335 CG PHE A 26 0.005 9.127 -4.451 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.357 9.323 -4.672 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.427 8.853 -3.163 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.262 9.246 -3.628 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.472 8.776 -2.116 1.00 0.00 C ATOM 340 CZ PHE A 26 1.818 8.973 -2.349 1.00 0.00 C ATOM 0 H PHE A 26 0.493 11.591 -6.119 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.221 10.562 -6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.884 8.661 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.560 8.686 -6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.710 9.538 -5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.479 8.698 -2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.315 9.399 -3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.122 8.562 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.523 8.914 -1.533 1.00 0.00 H new ATOM 350 N HIS A 27 -3.037 11.354 -4.428 1.00 0.00 N ATOM 351 CA HIS A 27 -3.551 12.020 -3.246 1.00 0.00 C ATOM 352 C HIS A 27 -3.788 10.984 -2.162 1.00 0.00 C ATOM 353 O HIS A 27 -4.350 9.925 -2.431 1.00 0.00 O ATOM 354 CB HIS A 27 -4.858 12.758 -3.555 1.00 0.00 C ATOM 355 CG HIS A 27 -4.720 13.870 -4.548 1.00 0.00 C ATOM 356 ND1 HIS A 27 -5.151 15.150 -4.299 1.00 0.00 N ATOM 357 CD2 HIS A 27 -4.220 13.883 -5.805 1.00 0.00 C ATOM 358 CE1 HIS A 27 -4.930 15.901 -5.362 1.00 0.00 C ATOM 359 NE2 HIS A 27 -4.366 15.155 -6.293 1.00 0.00 N ATOM 0 H HIS A 27 -3.736 10.821 -4.946 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.821 12.756 -2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.587 12.040 -3.931 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.260 13.164 -2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.785 13.044 -6.328 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.170 16.950 -5.454 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.086 15.472 -7.221 1.00 0.00 H new ATOM 368 N LEU A 28 -3.364 11.279 -0.951 1.00 0.00 N ATOM 369 CA LEU A 28 -3.502 10.342 0.148 1.00 0.00 C ATOM 370 C LEU A 28 -4.352 10.966 1.244 1.00 0.00 C ATOM 371 O LEU A 28 -4.024 12.041 1.738 1.00 0.00 O ATOM 372 CB LEU A 28 -2.120 9.979 0.693 1.00 0.00 C ATOM 373 CG LEU A 28 -2.099 8.899 1.770 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.436 7.539 1.174 1.00 0.00 C ATOM 375 CD2 LEU A 28 -0.744 8.872 2.453 1.00 0.00 C ATOM 0 H LEU A 28 -2.920 12.162 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.990 9.434 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.496 9.650 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.661 10.881 1.099 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.858 9.133 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.416 6.783 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.430 7.573 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.704 7.286 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.739 8.098 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.031 8.658 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.549 9.841 2.913 1.00 0.00 H new ATOM 387 N HIS A 29 -5.431 10.303 1.637 1.00 0.00 N ATOM 388 CA HIS A 29 -6.335 10.890 2.618 1.00 0.00 C ATOM 389 C HIS A 29 -6.512 9.972 3.816 1.00 0.00 C ATOM 390 O HIS A 29 -6.485 8.747 3.689 1.00 0.00 O ATOM 391 CB HIS A 29 -7.701 11.251 2.004 1.00 0.00 C ATOM 392 CG HIS A 29 -8.580 10.082 1.652 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.852 9.901 2.164 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.373 9.051 0.808 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.376 8.804 1.649 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.502 8.270 0.821 1.00 0.00 N ATOM 0 H HIS A 29 -5.699 9.378 1.301 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.875 11.818 2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.238 11.889 2.705 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.531 11.840 1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.480 8.872 0.227 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.357 8.410 1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.641 7.417 0.279 1.00 0.00 H new ATOM 405 N GLY A 30 -6.673 10.584 4.975 1.00 0.00 N ATOM 406 CA GLY A 30 -6.901 9.844 6.195 1.00 0.00 C ATOM 407 C GLY A 30 -8.258 10.162 6.773 1.00 0.00 C ATOM 408 O GLY A 30 -8.466 11.240 7.327 1.00 0.00 O ATOM 0 H GLY A 30 -6.649 11.597 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.828 8.775 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.126 10.086 6.922 1.00 0.00 H new ATOM 412 N GLU A 31 -9.184 9.232 6.621 1.00 0.00 N ATOM 413 CA GLU A 31 -10.561 9.440 7.042 1.00 0.00 C ATOM 414 C GLU A 31 -10.704 9.360 8.557 1.00 0.00 C ATOM 415 O GLU A 31 -9.728 9.192 9.279 1.00 0.00 O ATOM 416 CB GLU A 31 -11.455 8.402 6.373 1.00 0.00 C ATOM 417 CG GLU A 31 -11.486 8.540 4.864 1.00 0.00 C ATOM 418 CD GLU A 31 -12.535 7.670 4.213 1.00 0.00 C ATOM 419 OE1 GLU A 31 -12.237 6.497 3.918 1.00 0.00 O ATOM 420 OE2 GLU A 31 -13.653 8.165 3.971 1.00 0.00 O ATOM 0 H GLU A 31 -9.006 8.317 6.206 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.865 10.442 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.104 7.404 6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.468 8.496 6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.673 9.582 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.507 8.282 4.461 1.00 0.00 H new ATOM 427 N LYS A 32 -11.924 9.502 9.034 1.00 0.00 N ATOM 428 CA LYS A 32 -12.209 9.359 10.446 1.00 0.00 C ATOM 429 C LYS A 32 -12.766 7.967 10.717 1.00 0.00 C ATOM 430 O LYS A 32 -13.567 7.452 9.938 1.00 0.00 O ATOM 431 CB LYS A 32 -13.202 10.434 10.890 1.00 0.00 C ATOM 432 CG LYS A 32 -13.580 10.364 12.358 1.00 0.00 C ATOM 433 CD LYS A 32 -12.381 10.589 13.260 1.00 0.00 C ATOM 434 CE LYS A 32 -12.769 10.497 14.725 1.00 0.00 C ATOM 435 NZ LYS A 32 -13.348 9.171 15.065 1.00 0.00 N ATOM 0 H LYS A 32 -12.739 9.718 8.459 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.289 9.485 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.775 11.415 10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.107 10.347 10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.342 11.113 12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.020 9.390 12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.612 9.849 13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.949 11.569 13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.891 10.679 15.345 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.492 11.279 14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.364 9.054 16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.318 9.111 14.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.768 8.420 14.640 1.00 0.00 H new ATOM 449 N GLY A 33 -12.323 7.360 11.809 1.00 0.00 N ATOM 450 CA GLY A 33 -12.774 6.025 12.155 1.00 0.00 C ATOM 451 C GLY A 33 -11.804 4.942 11.722 1.00 0.00 C ATOM 452 O GLY A 33 -12.031 3.762 11.982 1.00 0.00 O ATOM 0 H GLY A 33 -11.657 7.769 12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.920 5.965 13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.744 5.843 11.692 1.00 0.00 H new ATOM 456 N LYS A 34 -10.714 5.339 11.074 1.00 0.00 N ATOM 457 CA LYS A 34 -9.755 4.385 10.544 1.00 0.00 C ATOM 458 C LYS A 34 -8.496 4.323 11.397 1.00 0.00 C ATOM 459 O LYS A 34 -8.414 4.944 12.457 1.00 0.00 O ATOM 460 CB LYS A 34 -9.406 4.762 9.102 1.00 0.00 C ATOM 461 CG LYS A 34 -9.119 6.245 8.874 1.00 0.00 C ATOM 462 CD LYS A 34 -7.767 6.684 9.427 1.00 0.00 C ATOM 463 CE LYS A 34 -7.897 7.474 10.720 1.00 0.00 C ATOM 464 NZ LYS A 34 -6.599 8.048 11.165 1.00 0.00 N ATOM 0 H LYS A 34 -10.475 6.316 10.905 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.209 3.394 10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.533 4.187 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.230 4.463 8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.153 6.456 7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.906 6.837 9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.147 5.805 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.254 7.293 8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.619 8.279 10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.291 6.825 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.738 8.577 12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.916 7.280 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.233 8.689 10.432 1.00 0.00 H new ATOM 478 N LEU A 35 -7.515 3.572 10.921 1.00 0.00 N ATOM 479 CA LEU A 35 -6.219 3.510 11.575 1.00 0.00 C ATOM 480 C LEU A 35 -5.100 3.789 10.576 1.00 0.00 C ATOM 481 O LEU A 35 -3.966 4.060 10.964 1.00 0.00 O ATOM 482 CB LEU A 35 -5.996 2.151 12.259 1.00 0.00 C ATOM 483 CG LEU A 35 -5.830 0.939 11.331 1.00 0.00 C ATOM 484 CD1 LEU A 35 -5.177 -0.207 12.085 1.00 0.00 C ATOM 485 CD2 LEU A 35 -7.171 0.483 10.765 1.00 0.00 C ATOM 0 H LEU A 35 -7.593 2.996 10.083 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.203 4.280 12.347 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.107 2.226 12.886 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.839 1.960 12.923 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.194 1.240 10.499 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.063 -1.063 11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.197 0.106 12.445 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.802 -0.488 12.933 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.017 -0.376 10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.835 0.203 11.583 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.620 1.296 10.195 1.00 0.00 H new ATOM 497 N GLY A 36 -5.446 3.773 9.295 1.00 0.00 N ATOM 498 CA GLY A 36 -4.445 3.922 8.254 1.00 0.00 C ATOM 499 C GLY A 36 -4.858 4.905 7.174 1.00 0.00 C ATOM 500 O GLY A 36 -5.899 5.553 7.275 1.00 0.00 O ATOM 0 H GLY A 36 -6.402 3.660 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.509 4.255 8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.253 2.950 7.800 1.00 0.00 H new ATOM 504 N GLN A 37 -4.052 4.987 6.125 1.00 0.00 N ATOM 505 CA GLN A 37 -4.259 5.961 5.062 1.00 0.00 C ATOM 506 C GLN A 37 -4.810 5.284 3.812 1.00 0.00 C ATOM 507 O GLN A 37 -4.531 4.113 3.558 1.00 0.00 O ATOM 508 CB GLN A 37 -2.935 6.664 4.741 1.00 0.00 C ATOM 509 CG GLN A 37 -2.312 7.351 5.945 1.00 0.00 C ATOM 510 CD GLN A 37 -3.149 8.507 6.457 1.00 0.00 C ATOM 511 OE1 GLN A 37 -3.180 8.788 7.651 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.815 9.201 5.551 1.00 0.00 N ATOM 0 H GLN A 37 -3.241 4.384 5.987 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.986 6.699 5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.231 5.933 4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.104 7.402 3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.178 6.623 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.321 7.716 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.764 8.936 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.380 10.001 5.835 1.00 0.00 H new ATOM 521 N TYR A 38 -5.595 6.018 3.040 1.00 0.00 N ATOM 522 CA TYR A 38 -6.192 5.474 1.829 1.00 0.00 C ATOM 523 C TYR A 38 -5.864 6.351 0.633 1.00 0.00 C ATOM 524 O TYR A 38 -5.655 7.561 0.778 1.00 0.00 O ATOM 525 CB TYR A 38 -7.713 5.383 1.976 1.00 0.00 C ATOM 526 CG TYR A 38 -8.167 4.717 3.251 1.00 0.00 C ATOM 527 CD1 TYR A 38 -8.005 3.352 3.433 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.760 5.453 4.267 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.419 2.736 4.595 1.00 0.00 C ATOM 530 CE2 TYR A 38 -9.181 4.844 5.432 1.00 0.00 C ATOM 531 CZ TYR A 38 -9.007 3.482 5.590 1.00 0.00 C ATOM 532 OH TYR A 38 -9.425 2.864 6.742 1.00 0.00 O ATOM 0 H TYR A 38 -5.834 6.991 3.229 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.781 4.477 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.133 6.388 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.118 4.833 1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.547 2.762 2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.894 6.518 4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.282 1.672 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.643 5.428 6.214 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.856 2.087 6.921 1.00 0.00 H new ATOM 542 N ILE A 39 -5.825 5.741 -0.542 1.00 0.00 N ATOM 543 CA ILE A 39 -5.616 6.482 -1.776 1.00 0.00 C ATOM 544 C ILE A 39 -6.854 7.313 -2.092 1.00 0.00 C ATOM 545 O ILE A 39 -7.962 6.786 -2.195 1.00 0.00 O ATOM 546 CB ILE A 39 -5.311 5.550 -2.968 1.00 0.00 C ATOM 547 CG1 ILE A 39 -4.117 4.636 -2.661 1.00 0.00 C ATOM 548 CG2 ILE A 39 -5.034 6.377 -4.218 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.792 5.364 -2.579 1.00 0.00 C ATOM 0 H ILE A 39 -5.935 4.735 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.752 7.129 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.183 4.920 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.298 4.124 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.052 3.869 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.820 5.712 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.907 6.985 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.176 7.026 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.998 4.651 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.586 5.854 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.836 6.113 -1.788 1.00 0.00 H new ATOM 561 N ARG A 40 -6.656 8.613 -2.218 1.00 0.00 N ATOM 562 CA ARG A 40 -7.746 9.546 -2.457 1.00 0.00 C ATOM 563 C ARG A 40 -7.959 9.767 -3.956 1.00 0.00 C ATOM 564 O ARG A 40 -9.083 9.677 -4.447 1.00 0.00 O ATOM 565 CB ARG A 40 -7.436 10.857 -1.710 1.00 0.00 C ATOM 566 CG ARG A 40 -8.101 12.106 -2.258 1.00 0.00 C ATOM 567 CD ARG A 40 -9.611 11.988 -2.340 1.00 0.00 C ATOM 568 NE ARG A 40 -10.096 12.547 -3.597 1.00 0.00 N ATOM 569 CZ ARG A 40 -11.238 12.210 -4.182 1.00 0.00 C ATOM 570 NH1 ARG A 40 -12.110 11.420 -3.568 1.00 0.00 N ATOM 571 NH2 ARG A 40 -11.511 12.681 -5.388 1.00 0.00 N ATOM 0 H ARG A 40 -5.737 9.052 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.682 9.138 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.734 10.738 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.357 11.010 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.843 12.955 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.704 12.316 -3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.905 10.941 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.069 12.511 -1.501 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.516 13.247 -4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.906 11.064 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.984 11.169 -4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.847 13.296 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.386 12.429 -5.848 1.00 0.00 H new ATOM 585 N LEU A 41 -6.886 10.033 -4.680 1.00 0.00 N ATOM 586 CA LEU A 41 -6.969 10.200 -6.123 1.00 0.00 C ATOM 587 C LEU A 41 -5.640 9.887 -6.779 1.00 0.00 C ATOM 588 O LEU A 41 -4.585 10.037 -6.167 1.00 0.00 O ATOM 589 CB LEU A 41 -7.383 11.623 -6.498 1.00 0.00 C ATOM 590 CG LEU A 41 -7.608 11.835 -7.996 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.085 11.755 -8.341 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.003 13.148 -8.456 1.00 0.00 C ATOM 0 H LEU A 41 -5.948 10.138 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.727 9.504 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.300 11.875 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.614 12.316 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.100 11.032 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.217 11.909 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.470 10.773 -8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.629 12.525 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.177 13.274 -9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.466 13.972 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.931 13.142 -8.261 1.00 0.00 H new ATOM 604 N VAL A 42 -5.710 9.448 -8.021 1.00 0.00 N ATOM 605 CA VAL A 42 -4.532 9.220 -8.829 1.00 0.00 C ATOM 606 C VAL A 42 -4.590 10.112 -10.061 1.00 0.00 C ATOM 607 O VAL A 42 -5.498 9.981 -10.883 1.00 0.00 O ATOM 608 CB VAL A 42 -4.427 7.745 -9.257 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.163 7.509 -10.060 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.473 6.838 -8.041 1.00 0.00 C ATOM 0 H VAL A 42 -6.588 9.240 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.651 9.461 -8.235 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.279 7.508 -9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.108 6.460 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.177 8.134 -10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.294 7.762 -9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.398 5.798 -8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.641 7.076 -7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.413 6.988 -7.511 1.00 0.00 H new ATOM 620 N GLU A 43 -3.646 11.038 -10.163 1.00 0.00 N ATOM 621 CA GLU A 43 -3.610 11.975 -11.276 1.00 0.00 C ATOM 622 C GLU A 43 -3.406 11.221 -12.585 1.00 0.00 C ATOM 623 O GLU A 43 -2.491 10.408 -12.701 1.00 0.00 O ATOM 624 CB GLU A 43 -2.484 12.992 -11.075 1.00 0.00 C ATOM 625 CG GLU A 43 -2.635 13.840 -9.820 1.00 0.00 C ATOM 626 CD GLU A 43 -3.756 14.854 -9.920 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.941 15.437 -11.007 1.00 0.00 O ATOM 628 OE2 GLU A 43 -4.433 15.097 -8.899 1.00 0.00 O ATOM 0 H GLU A 43 -2.893 11.160 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.560 12.508 -11.318 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.533 12.462 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.443 13.650 -11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.819 13.187 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.698 14.361 -9.626 1.00 0.00 H new ATOM 635 N PRO A 44 -4.263 11.455 -13.579 1.00 0.00 N ATOM 636 CA PRO A 44 -4.163 10.780 -14.865 1.00 0.00 C ATOM 637 C PRO A 44 -2.947 11.248 -15.647 1.00 0.00 C ATOM 638 O PRO A 44 -2.890 12.378 -16.134 1.00 0.00 O ATOM 639 CB PRO A 44 -5.452 11.148 -15.593 1.00 0.00 C ATOM 640 CG PRO A 44 -6.307 11.838 -14.586 1.00 0.00 C ATOM 641 CD PRO A 44 -5.389 12.386 -13.536 1.00 0.00 C ATOM 0 HA PRO A 44 -4.042 9.703 -14.750 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.248 11.798 -16.444 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.948 10.259 -15.983 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.882 12.638 -15.052 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.024 11.144 -14.148 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.080 13.407 -13.761 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.862 12.405 -12.554 1.00 0.00 H new ATOM 649 N GLY A 45 -1.986 10.360 -15.759 1.00 0.00 N ATOM 650 CA GLY A 45 -0.723 10.691 -16.382 1.00 0.00 C ATOM 651 C GLY A 45 0.384 10.816 -15.359 1.00 0.00 C ATOM 652 O GLY A 45 1.336 11.575 -15.546 1.00 0.00 O ATOM 0 H GLY A 45 -2.055 9.399 -15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.462 9.922 -17.109 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.821 11.628 -16.930 1.00 0.00 H new ATOM 656 N SER A 46 0.246 10.082 -14.263 1.00 0.00 N ATOM 657 CA SER A 46 1.233 10.099 -13.203 1.00 0.00 C ATOM 658 C SER A 46 1.895 8.729 -13.072 1.00 0.00 C ATOM 659 O SER A 46 1.362 7.722 -13.551 1.00 0.00 O ATOM 660 CB SER A 46 0.559 10.475 -11.883 1.00 0.00 C ATOM 661 OG SER A 46 -0.391 9.497 -11.500 1.00 0.00 O ATOM 0 H SER A 46 -0.547 9.465 -14.089 1.00 0.00 H new ATOM 0 HA SER A 46 1.999 10.836 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.313 10.580 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.069 11.443 -11.984 1.00 0.00 H new ATOM 0 HG SER A 46 -1.112 9.464 -12.163 1.00 0.00 H new ATOM 667 N PRO A 47 3.069 8.678 -12.422 1.00 0.00 N ATOM 668 CA PRO A 47 3.771 7.424 -12.133 1.00 0.00 C ATOM 669 C PRO A 47 3.015 6.547 -11.136 1.00 0.00 C ATOM 670 O PRO A 47 3.345 5.376 -10.956 1.00 0.00 O ATOM 671 CB PRO A 47 5.100 7.880 -11.534 1.00 0.00 C ATOM 672 CG PRO A 47 4.824 9.241 -11.003 1.00 0.00 C ATOM 673 CD PRO A 47 3.825 9.847 -11.938 1.00 0.00 C ATOM 0 HA PRO A 47 3.880 6.811 -13.028 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.431 7.206 -10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.888 7.900 -12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.430 9.192 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.735 9.838 -10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.179 10.563 -11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.310 10.380 -12.756 1.00 0.00 H new ATOM 681 N ALA A 48 2.019 7.120 -10.474 1.00 0.00 N ATOM 682 CA ALA A 48 1.192 6.359 -9.550 1.00 0.00 C ATOM 683 C ALA A 48 0.390 5.304 -10.302 1.00 0.00 C ATOM 684 O ALA A 48 0.249 4.169 -9.844 1.00 0.00 O ATOM 685 CB ALA A 48 0.268 7.284 -8.775 1.00 0.00 C ATOM 0 H ALA A 48 1.766 8.104 -10.559 1.00 0.00 H new ATOM 0 HA ALA A 48 1.844 5.853 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.343 6.697 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.862 8.001 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.379 7.818 -9.471 1.00 0.00 H new ATOM 691 N GLU A 49 -0.110 5.680 -11.473 1.00 0.00 N ATOM 692 CA GLU A 49 -0.912 4.779 -12.289 1.00 0.00 C ATOM 693 C GLU A 49 -0.079 3.610 -12.801 1.00 0.00 C ATOM 694 O GLU A 49 -0.497 2.455 -12.713 1.00 0.00 O ATOM 695 CB GLU A 49 -1.512 5.518 -13.483 1.00 0.00 C ATOM 696 CG GLU A 49 -2.337 6.737 -13.118 1.00 0.00 C ATOM 697 CD GLU A 49 -3.121 7.266 -14.299 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.499 7.859 -15.206 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.359 7.088 -14.332 1.00 0.00 O ATOM 0 H GLU A 49 0.027 6.606 -11.879 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.713 4.398 -11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.704 5.827 -14.146 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.139 4.826 -14.045 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.025 6.481 -12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.679 7.520 -12.740 1.00 0.00 H new ATOM 706 N LYS A 50 1.106 3.918 -13.328 1.00 0.00 N ATOM 707 CA LYS A 50 1.954 2.911 -13.968 1.00 0.00 C ATOM 708 C LYS A 50 2.359 1.809 -12.999 1.00 0.00 C ATOM 709 O LYS A 50 2.492 0.647 -13.388 1.00 0.00 O ATOM 710 CB LYS A 50 3.212 3.548 -14.568 1.00 0.00 C ATOM 711 CG LYS A 50 4.112 4.230 -13.554 1.00 0.00 C ATOM 712 CD LYS A 50 5.432 4.656 -14.172 1.00 0.00 C ATOM 713 CE LYS A 50 6.249 3.452 -14.607 1.00 0.00 C ATOM 714 NZ LYS A 50 7.527 3.850 -15.248 1.00 0.00 N ATOM 0 H LYS A 50 1.501 4.858 -13.324 1.00 0.00 H new ATOM 0 HA LYS A 50 1.360 2.467 -14.766 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.785 2.777 -15.084 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.912 4.279 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.603 5.103 -13.145 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.302 3.552 -12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.243 5.300 -15.031 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.001 5.244 -13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.458 2.824 -13.741 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.666 2.851 -15.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.069 2.999 -15.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.328 4.400 -16.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.081 4.431 -14.587 1.00 0.00 H new ATOM 728 N ALA A 51 2.563 2.170 -11.741 1.00 0.00 N ATOM 729 CA ALA A 51 3.006 1.208 -10.752 1.00 0.00 C ATOM 730 C ALA A 51 1.837 0.439 -10.145 1.00 0.00 C ATOM 731 O ALA A 51 2.025 -0.626 -9.557 1.00 0.00 O ATOM 732 CB ALA A 51 3.817 1.905 -9.681 1.00 0.00 C ATOM 0 H ALA A 51 2.429 3.117 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 51 3.640 0.475 -11.252 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.146 1.175 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.687 2.380 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.203 2.663 -9.195 1.00 0.00 H new ATOM 738 N GLY A 52 0.629 0.972 -10.303 1.00 0.00 N ATOM 739 CA GLY A 52 -0.550 0.275 -9.828 1.00 0.00 C ATOM 740 C GLY A 52 -1.115 0.849 -8.542 1.00 0.00 C ATOM 741 O GLY A 52 -1.198 0.152 -7.533 1.00 0.00 O ATOM 0 H GLY A 52 0.447 1.871 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.318 0.309 -10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.303 -0.775 -9.670 1.00 0.00 H new ATOM 745 N LEU A 53 -1.481 2.123 -8.570 1.00 0.00 N ATOM 746 CA LEU A 53 -2.186 2.747 -7.454 1.00 0.00 C ATOM 747 C LEU A 53 -3.532 3.262 -7.932 1.00 0.00 C ATOM 748 O LEU A 53 -3.598 3.997 -8.917 1.00 0.00 O ATOM 749 CB LEU A 53 -1.383 3.910 -6.851 1.00 0.00 C ATOM 750 CG LEU A 53 -0.285 3.529 -5.852 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.847 2.788 -6.537 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.243 4.769 -5.147 1.00 0.00 C ATOM 0 H LEU A 53 -1.301 2.748 -9.356 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.320 1.992 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.925 4.469 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.079 4.585 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.723 2.862 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.611 2.531 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.461 1.876 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.284 3.423 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.022 4.482 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.657 5.458 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.571 5.257 -4.611 1.00 0.00 H new ATOM 764 N LEU A 54 -4.604 2.864 -7.262 1.00 0.00 N ATOM 765 CA LEU A 54 -5.933 3.339 -7.617 1.00 0.00 C ATOM 766 C LEU A 54 -6.647 3.900 -6.403 1.00 0.00 C ATOM 767 O LEU A 54 -6.227 3.699 -5.266 1.00 0.00 O ATOM 768 CB LEU A 54 -6.785 2.227 -8.239 1.00 0.00 C ATOM 769 CG LEU A 54 -6.536 1.941 -9.721 1.00 0.00 C ATOM 770 CD1 LEU A 54 -6.514 3.231 -10.525 1.00 0.00 C ATOM 771 CD2 LEU A 54 -5.250 1.149 -9.920 1.00 0.00 C ATOM 0 H LEU A 54 -4.580 2.217 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.801 4.129 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.613 1.308 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.836 2.487 -8.111 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.361 1.330 -10.088 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.335 3.002 -11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.472 3.740 -10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.718 3.877 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.099 0.961 -10.983 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.407 1.719 -9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.322 0.199 -9.390 1.00 0.00 H new ATOM 783 N ALA A 55 -7.736 4.602 -6.661 1.00 0.00 N ATOM 784 CA ALA A 55 -8.501 5.240 -5.602 1.00 0.00 C ATOM 785 C ALA A 55 -9.323 4.205 -4.849 1.00 0.00 C ATOM 786 O ALA A 55 -10.322 3.699 -5.365 1.00 0.00 O ATOM 787 CB ALA A 55 -9.400 6.327 -6.175 1.00 0.00 C ATOM 0 H ALA A 55 -8.112 4.746 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.807 5.705 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.965 6.794 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.789 7.080 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.090 5.886 -6.894 1.00 0.00 H new ATOM 793 N GLY A 56 -8.883 3.873 -3.645 1.00 0.00 N ATOM 794 CA GLY A 56 -9.575 2.881 -2.848 1.00 0.00 C ATOM 795 C GLY A 56 -8.617 1.967 -2.116 1.00 0.00 C ATOM 796 O GLY A 56 -8.968 1.389 -1.088 1.00 0.00 O ATOM 0 H GLY A 56 -8.056 4.274 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.219 3.382 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.221 2.286 -3.493 1.00 0.00 H new ATOM 800 N ASP A 57 -7.407 1.832 -2.648 1.00 0.00 N ATOM 801 CA ASP A 57 -6.386 0.991 -2.028 1.00 0.00 C ATOM 802 C ASP A 57 -5.998 1.535 -0.656 1.00 0.00 C ATOM 803 O ASP A 57 -5.967 2.755 -0.446 1.00 0.00 O ATOM 804 CB ASP A 57 -5.135 0.906 -2.911 1.00 0.00 C ATOM 805 CG ASP A 57 -5.383 0.198 -4.228 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.501 -1.045 -4.227 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.465 0.884 -5.271 1.00 0.00 O ATOM 0 H ASP A 57 -7.108 2.294 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.808 -0.007 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.769 1.913 -3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.348 0.383 -2.367 1.00 0.00 H new ATOM 812 N ARG A 58 -5.713 0.635 0.279 1.00 0.00 N ATOM 813 CA ARG A 58 -5.274 1.041 1.604 1.00 0.00 C ATOM 814 C ARG A 58 -3.759 1.019 1.672 1.00 0.00 C ATOM 815 O ARG A 58 -3.124 0.056 1.240 1.00 0.00 O ATOM 816 CB ARG A 58 -5.845 0.134 2.699 1.00 0.00 C ATOM 817 CG ARG A 58 -5.530 0.629 4.108 1.00 0.00 C ATOM 818 CD ARG A 58 -6.065 -0.307 5.180 1.00 0.00 C ATOM 819 NE ARG A 58 -5.234 -1.498 5.352 1.00 0.00 N ATOM 820 CZ ARG A 58 -5.711 -2.744 5.369 1.00 0.00 C ATOM 821 NH1 ARG A 58 -7.012 -2.956 5.219 1.00 0.00 N ATOM 822 NH2 ARG A 58 -4.894 -3.772 5.572 1.00 0.00 N ATOM 0 H ARG A 58 -5.778 -0.374 0.143 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.644 2.052 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.926 0.064 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.444 -0.872 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.451 0.730 4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.960 1.621 4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.126 0.229 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.079 -0.610 4.919 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.229 -1.368 5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.646 -2.167 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.378 -3.908 5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.897 -3.611 5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.264 -4.723 5.584 1.00 0.00 H new ATOM 836 N LEU A 59 -3.189 2.083 2.209 1.00 0.00 N ATOM 837 CA LEU A 59 -1.748 2.185 2.361 1.00 0.00 C ATOM 838 C LEU A 59 -1.276 1.271 3.488 1.00 0.00 C ATOM 839 O LEU A 59 -1.566 1.514 4.660 1.00 0.00 O ATOM 840 CB LEU A 59 -1.350 3.635 2.640 1.00 0.00 C ATOM 841 CG LEU A 59 0.150 3.921 2.588 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.713 3.589 1.214 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.418 5.376 2.940 1.00 0.00 C ATOM 0 H LEU A 59 -3.706 2.894 2.549 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.269 1.868 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.851 4.278 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.723 3.914 3.626 1.00 0.00 H new ATOM 0 HG LEU A 59 0.650 3.288 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.782 3.800 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.548 2.533 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.212 4.196 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.490 5.569 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.094 6.023 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.050 5.581 3.945 1.00 0.00 H new ATOM 855 N VAL A 60 -0.569 0.212 3.120 1.00 0.00 N ATOM 856 CA VAL A 60 -0.117 -0.783 4.079 1.00 0.00 C ATOM 857 C VAL A 60 1.306 -0.495 4.537 1.00 0.00 C ATOM 858 O VAL A 60 1.610 -0.543 5.729 1.00 0.00 O ATOM 859 CB VAL A 60 -0.176 -2.203 3.474 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.337 -3.244 4.457 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.591 -2.537 3.038 1.00 0.00 C ATOM 0 H VAL A 60 -0.295 0.020 2.156 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.787 -0.731 4.937 1.00 0.00 H new ATOM 0 HB VAL A 60 0.473 -2.220 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.282 -4.233 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.372 -3.021 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.275 -3.226 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.614 -3.541 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.257 -2.492 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.919 -1.819 2.287 1.00 0.00 H new ATOM 871 N GLU A 61 2.176 -0.193 3.590 1.00 0.00 N ATOM 872 CA GLU A 61 3.574 0.035 3.900 1.00 0.00 C ATOM 873 C GLU A 61 4.145 1.140 3.020 1.00 0.00 C ATOM 874 O GLU A 61 3.697 1.339 1.888 1.00 0.00 O ATOM 875 CB GLU A 61 4.332 -1.290 3.718 1.00 0.00 C ATOM 876 CG GLU A 61 5.841 -1.194 3.823 1.00 0.00 C ATOM 877 CD GLU A 61 6.527 -1.210 2.475 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.736 -2.313 1.936 1.00 0.00 O ATOM 879 OE2 GLU A 61 6.882 -0.127 1.971 1.00 0.00 O ATOM 0 H GLU A 61 1.939 -0.100 2.602 1.00 0.00 H new ATOM 0 HA GLU A 61 3.683 0.368 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.977 -1.998 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.078 -1.704 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.106 -0.277 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.212 -2.024 4.424 1.00 0.00 H new ATOM 886 N VAL A 62 5.123 1.861 3.559 1.00 0.00 N ATOM 887 CA VAL A 62 5.807 2.916 2.827 1.00 0.00 C ATOM 888 C VAL A 62 7.303 2.837 3.080 1.00 0.00 C ATOM 889 O VAL A 62 7.750 2.945 4.227 1.00 0.00 O ATOM 890 CB VAL A 62 5.314 4.327 3.226 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.141 5.404 2.537 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.845 4.507 2.891 1.00 0.00 C ATOM 0 H VAL A 62 5.461 1.730 4.512 1.00 0.00 H new ATOM 0 HA VAL A 62 5.584 2.762 1.771 1.00 0.00 H new ATOM 0 HB VAL A 62 5.437 4.427 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.776 6.388 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.186 5.302 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.053 5.294 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.525 5.508 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.698 4.377 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.255 3.766 3.431 1.00 0.00 H new ATOM 902 N ASN A 63 8.064 2.634 2.016 1.00 0.00 N ATOM 903 CA ASN A 63 9.520 2.641 2.088 1.00 0.00 C ATOM 904 C ASN A 63 10.016 1.515 3.006 1.00 0.00 C ATOM 905 O ASN A 63 10.955 1.681 3.783 1.00 0.00 O ATOM 906 CB ASN A 63 10.007 4.025 2.564 1.00 0.00 C ATOM 907 CG ASN A 63 11.509 4.228 2.447 1.00 0.00 C ATOM 908 OD1 ASN A 63 12.255 4.024 3.403 1.00 0.00 O ATOM 909 ND2 ASN A 63 11.963 4.639 1.272 1.00 0.00 N ATOM 0 H ASN A 63 7.694 2.460 1.082 1.00 0.00 H new ATOM 0 HA ASN A 63 9.936 2.457 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.501 4.796 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.712 4.164 3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.962 4.797 1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.314 4.798 0.502 1.00 0.00 H new ATOM 916 N GLY A 64 9.339 0.375 2.937 1.00 0.00 N ATOM 917 CA GLY A 64 9.787 -0.807 3.650 1.00 0.00 C ATOM 918 C GLY A 64 9.294 -0.873 5.082 1.00 0.00 C ATOM 919 O GLY A 64 9.693 -1.763 5.839 1.00 0.00 O ATOM 0 H GLY A 64 8.483 0.248 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.447 -1.694 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.877 -0.832 3.648 1.00 0.00 H new ATOM 923 N GLU A 65 8.438 0.061 5.471 1.00 0.00 N ATOM 924 CA GLU A 65 7.920 0.081 6.832 1.00 0.00 C ATOM 925 C GLU A 65 6.398 0.101 6.838 1.00 0.00 C ATOM 926 O GLU A 65 5.778 0.918 6.156 1.00 0.00 O ATOM 927 CB GLU A 65 8.470 1.277 7.603 1.00 0.00 C ATOM 928 CG GLU A 65 8.089 1.274 9.073 1.00 0.00 C ATOM 929 CD GLU A 65 8.787 2.361 9.858 1.00 0.00 C ATOM 930 OE1 GLU A 65 10.026 2.283 10.008 1.00 0.00 O ATOM 931 OE2 GLU A 65 8.103 3.292 10.329 1.00 0.00 O ATOM 0 H GLU A 65 8.090 0.808 4.870 1.00 0.00 H new ATOM 0 HA GLU A 65 8.251 -0.832 7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.557 1.287 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.106 2.195 7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.010 1.401 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.334 0.304 9.506 1.00 0.00 H new ATOM 938 N ASN A 66 5.814 -0.817 7.598 1.00 0.00 N ATOM 939 CA ASN A 66 4.365 -0.908 7.744 1.00 0.00 C ATOM 940 C ASN A 66 3.797 0.392 8.298 1.00 0.00 C ATOM 941 O ASN A 66 4.150 0.818 9.400 1.00 0.00 O ATOM 942 CB ASN A 66 4.000 -2.073 8.667 1.00 0.00 C ATOM 943 CG ASN A 66 2.503 -2.282 8.779 1.00 0.00 C ATOM 944 OD1 ASN A 66 1.842 -1.702 9.639 1.00 0.00 O ATOM 945 ND2 ASN A 66 1.963 -3.123 7.912 1.00 0.00 N ATOM 0 H ASN A 66 6.329 -1.518 8.130 1.00 0.00 H new ATOM 0 HA ASN A 66 3.932 -1.084 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.464 -2.986 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.412 -1.889 9.659 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.961 -3.312 7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.549 -3.583 7.215 1.00 0.00 H new ATOM 952 N VAL A 67 2.915 1.013 7.532 1.00 0.00 N ATOM 953 CA VAL A 67 2.357 2.306 7.901 1.00 0.00 C ATOM 954 C VAL A 67 0.852 2.221 8.116 1.00 0.00 C ATOM 955 O VAL A 67 0.149 3.231 8.059 1.00 0.00 O ATOM 956 CB VAL A 67 2.647 3.380 6.833 1.00 0.00 C ATOM 957 CG1 VAL A 67 4.143 3.606 6.687 1.00 0.00 C ATOM 958 CG2 VAL A 67 2.024 2.992 5.502 1.00 0.00 C ATOM 0 H VAL A 67 2.568 0.642 6.647 1.00 0.00 H new ATOM 0 HA VAL A 67 2.841 2.593 8.835 1.00 0.00 H new ATOM 0 HB VAL A 67 2.196 4.317 7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.324 4.368 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.556 3.938 7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.624 2.675 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.239 3.762 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.440 2.041 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.945 2.894 5.620 1.00 0.00 H new ATOM 968 N GLU A 68 0.366 1.017 8.384 1.00 0.00 N ATOM 969 CA GLU A 68 -1.062 0.789 8.578 1.00 0.00 C ATOM 970 C GLU A 68 -1.588 1.506 9.815 1.00 0.00 C ATOM 971 O GLU A 68 -2.794 1.644 9.995 1.00 0.00 O ATOM 972 CB GLU A 68 -1.348 -0.705 8.695 1.00 0.00 C ATOM 973 CG GLU A 68 -1.185 -1.464 7.389 1.00 0.00 C ATOM 974 CD GLU A 68 -1.529 -2.931 7.520 1.00 0.00 C ATOM 975 OE1 GLU A 68 -0.671 -3.704 7.998 1.00 0.00 O ATOM 976 OE2 GLU A 68 -2.655 -3.319 7.146 1.00 0.00 O ATOM 0 H GLU A 68 0.941 0.179 8.473 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.576 1.195 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.680 -1.136 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.366 -0.843 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.822 -1.012 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.156 -1.366 7.042 1.00 0.00 H new ATOM 983 N LYS A 69 -0.678 1.946 10.670 1.00 0.00 N ATOM 984 CA LYS A 69 -1.051 2.637 11.896 1.00 0.00 C ATOM 985 C LYS A 69 -0.408 4.024 11.960 1.00 0.00 C ATOM 986 O LYS A 69 -0.301 4.621 13.034 1.00 0.00 O ATOM 987 CB LYS A 69 -0.620 1.805 13.106 1.00 0.00 C ATOM 988 CG LYS A 69 -1.075 0.355 13.039 1.00 0.00 C ATOM 989 CD LYS A 69 -0.513 -0.461 14.188 1.00 0.00 C ATOM 990 CE LYS A 69 -0.848 -1.938 14.047 1.00 0.00 C ATOM 991 NZ LYS A 69 -2.316 -2.183 14.022 1.00 0.00 N ATOM 0 H LYS A 69 0.327 1.837 10.537 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.134 2.763 11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.467 1.833 13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.020 2.261 14.012 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.164 0.314 13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.759 -0.083 12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.569 -0.336 14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.912 -0.086 15.130 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.402 -2.324 13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.404 -2.490 14.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.498 -3.207 14.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.757 -1.735 14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.721 -1.779 13.153 1.00 0.00 H new ATOM 1005 N GLU A 70 0.022 4.531 10.809 1.00 0.00 N ATOM 1006 CA GLU A 70 0.677 5.836 10.742 1.00 0.00 C ATOM 1007 C GLU A 70 -0.332 6.946 10.471 1.00 0.00 C ATOM 1008 O GLU A 70 -1.536 6.703 10.388 1.00 0.00 O ATOM 1009 CB GLU A 70 1.741 5.850 9.643 1.00 0.00 C ATOM 1010 CG GLU A 70 2.916 4.927 9.898 1.00 0.00 C ATOM 1011 CD GLU A 70 3.717 5.310 11.120 1.00 0.00 C ATOM 1012 OE1 GLU A 70 4.599 6.188 11.006 1.00 0.00 O ATOM 1013 OE2 GLU A 70 3.469 4.736 12.201 1.00 0.00 O ATOM 0 H GLU A 70 -0.071 4.059 9.909 1.00 0.00 H new ATOM 0 HA GLU A 70 1.148 6.013 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.274 5.571 8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.113 6.868 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.550 3.907 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.570 4.932 9.026 1.00 0.00 H new ATOM 1020 N THR A 71 0.175 8.163 10.327 1.00 0.00 N ATOM 1021 CA THR A 71 -0.661 9.317 10.028 1.00 0.00 C ATOM 1022 C THR A 71 -0.308 9.869 8.654 1.00 0.00 C ATOM 1023 O THR A 71 0.706 9.468 8.076 1.00 0.00 O ATOM 1024 CB THR A 71 -0.472 10.440 11.067 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.865 10.952 10.987 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.739 9.937 12.476 1.00 0.00 C ATOM 0 H THR A 71 1.169 8.377 10.413 1.00 0.00 H new ATOM 0 HA THR A 71 -1.698 8.983 10.054 1.00 0.00 H new ATOM 0 HB THR A 71 -1.187 11.232 10.844 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.982 11.667 11.647 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.598 10.752 13.186 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.763 9.570 12.543 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.048 9.127 12.710 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.124 10.787 8.137 1.00 0.00 N ATOM 1035 CA HIS A 72 -0.845 11.411 6.847 1.00 0.00 C ATOM 1036 C HIS A 72 0.547 12.035 6.852 1.00 0.00 C ATOM 1037 O HIS A 72 1.330 11.829 5.930 1.00 0.00 O ATOM 1038 CB HIS A 72 -1.909 12.476 6.516 1.00 0.00 C ATOM 1039 CG HIS A 72 -1.650 13.236 5.241 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.279 12.953 4.048 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -0.821 14.280 4.983 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -1.842 13.777 3.114 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -0.960 14.592 3.654 1.00 0.00 N ATOM 0 H HIS A 72 -1.978 11.113 8.589 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.881 10.640 6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.882 11.990 6.444 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.966 13.185 7.342 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.173 14.773 5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.155 13.782 2.080 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.461 15.335 3.164 1.00 0.00 H new ATOM 1052 N GLN A 73 0.857 12.774 7.902 1.00 0.00 N ATOM 1053 CA GLN A 73 2.134 13.464 7.995 1.00 0.00 C ATOM 1054 C GLN A 73 3.296 12.478 8.083 1.00 0.00 C ATOM 1055 O GLN A 73 4.297 12.627 7.383 1.00 0.00 O ATOM 1056 CB GLN A 73 2.152 14.383 9.211 1.00 0.00 C ATOM 1057 CG GLN A 73 3.374 15.280 9.260 1.00 0.00 C ATOM 1058 CD GLN A 73 3.424 16.132 10.510 1.00 0.00 C ATOM 1059 OE1 GLN A 73 4.501 16.466 11.005 1.00 0.00 O ATOM 1060 NE2 GLN A 73 2.262 16.500 11.026 1.00 0.00 N ATOM 0 H GLN A 73 0.242 12.913 8.704 1.00 0.00 H new ATOM 0 HA GLN A 73 2.254 14.057 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.255 15.002 9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.116 13.778 10.117 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.273 14.666 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.379 15.928 8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.391 16.202 10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.237 17.081 11.864 1.00 0.00 H new ATOM 1069 N GLN A 74 3.155 11.471 8.937 1.00 0.00 N ATOM 1070 CA GLN A 74 4.230 10.514 9.171 1.00 0.00 C ATOM 1071 C GLN A 74 4.574 9.741 7.903 1.00 0.00 C ATOM 1072 O GLN A 74 5.748 9.516 7.609 1.00 0.00 O ATOM 1073 CB GLN A 74 3.854 9.556 10.302 1.00 0.00 C ATOM 1074 CG GLN A 74 3.800 10.238 11.660 1.00 0.00 C ATOM 1075 CD GLN A 74 3.220 9.361 12.754 1.00 0.00 C ATOM 1076 OE1 GLN A 74 2.596 9.856 13.690 1.00 0.00 O ATOM 1077 NE2 GLN A 74 3.415 8.059 12.647 1.00 0.00 N ATOM 0 H GLN A 74 2.308 11.296 9.478 1.00 0.00 H new ATOM 0 HA GLN A 74 5.118 11.073 9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.883 9.110 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.578 8.742 10.338 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.807 10.543 11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.203 11.146 11.578 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.938 7.685 11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.042 7.428 13.356 1.00 0.00 H new ATOM 1086 N VAL A 75 3.562 9.351 7.139 1.00 0.00 N ATOM 1087 CA VAL A 75 3.812 8.638 5.889 1.00 0.00 C ATOM 1088 C VAL A 75 4.428 9.552 4.832 1.00 0.00 C ATOM 1089 O VAL A 75 5.362 9.160 4.138 1.00 0.00 O ATOM 1090 CB VAL A 75 2.553 7.960 5.314 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.142 6.789 6.185 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.405 8.939 5.169 1.00 0.00 C ATOM 0 H VAL A 75 2.578 9.511 7.355 1.00 0.00 H new ATOM 0 HA VAL A 75 4.523 7.852 6.144 1.00 0.00 H new ATOM 0 HB VAL A 75 2.800 7.593 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.251 6.320 5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.952 6.061 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.926 7.143 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.536 8.423 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.155 9.354 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.697 9.745 4.496 1.00 0.00 H new ATOM 1102 N VAL A 76 3.906 10.769 4.721 1.00 0.00 N ATOM 1103 CA VAL A 76 4.459 11.760 3.795 1.00 0.00 C ATOM 1104 C VAL A 76 5.928 12.037 4.113 1.00 0.00 C ATOM 1105 O VAL A 76 6.741 12.235 3.210 1.00 0.00 O ATOM 1106 CB VAL A 76 3.662 13.087 3.812 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.345 14.148 2.960 1.00 0.00 C ATOM 1108 CG2 VAL A 76 2.243 12.862 3.321 1.00 0.00 C ATOM 0 H VAL A 76 3.103 11.096 5.258 1.00 0.00 H new ATOM 0 HA VAL A 76 4.378 11.335 2.795 1.00 0.00 H new ATOM 0 HB VAL A 76 3.629 13.442 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.763 15.069 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.346 14.338 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.416 13.798 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.698 13.806 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.267 12.477 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.744 12.141 3.969 1.00 0.00 H new ATOM 1118 N SER A 77 6.266 12.031 5.397 1.00 0.00 N ATOM 1119 CA SER A 77 7.650 12.208 5.824 1.00 0.00 C ATOM 1120 C SER A 77 8.531 11.105 5.231 1.00 0.00 C ATOM 1121 O SER A 77 9.648 11.361 4.781 1.00 0.00 O ATOM 1122 CB SER A 77 7.734 12.205 7.352 1.00 0.00 C ATOM 1123 OG SER A 77 6.883 13.196 7.910 1.00 0.00 O ATOM 0 H SER A 77 5.602 11.906 6.161 1.00 0.00 H new ATOM 0 HA SER A 77 8.013 13.170 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.454 11.223 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.763 12.386 7.664 1.00 0.00 H new ATOM 0 HG SER A 77 5.949 12.913 7.821 1.00 0.00 H new ATOM 1129 N ARG A 78 8.003 9.884 5.208 1.00 0.00 N ATOM 1130 CA ARG A 78 8.699 8.756 4.600 1.00 0.00 C ATOM 1131 C ARG A 78 8.802 8.948 3.089 1.00 0.00 C ATOM 1132 O ARG A 78 9.800 8.587 2.472 1.00 0.00 O ATOM 1133 CB ARG A 78 7.968 7.448 4.899 1.00 0.00 C ATOM 1134 CG ARG A 78 7.701 7.213 6.374 1.00 0.00 C ATOM 1135 CD ARG A 78 7.216 5.796 6.628 1.00 0.00 C ATOM 1136 NE ARG A 78 8.202 4.809 6.189 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.315 4.530 6.863 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.524 5.090 8.047 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.204 3.675 6.361 1.00 0.00 N ATOM 0 H ARG A 78 7.093 9.651 5.605 1.00 0.00 H new ATOM 0 HA ARG A 78 9.701 8.707 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.019 7.444 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.557 6.617 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.612 7.396 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.955 7.924 6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.014 5.664 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.275 5.632 6.102 1.00 0.00 H new ATOM 0 HE ARG A 78 8.027 4.307 5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.833 5.731 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.375 4.879 8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.033 3.232 5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.056 3.463 6.879 1.00 0.00 H new ATOM 1153 N ILE A 79 7.752 9.515 2.505 1.00 0.00 N ATOM 1154 CA ILE A 79 7.720 9.793 1.074 1.00 0.00 C ATOM 1155 C ILE A 79 8.798 10.806 0.698 1.00 0.00 C ATOM 1156 O ILE A 79 9.433 10.689 -0.349 1.00 0.00 O ATOM 1157 CB ILE A 79 6.336 10.325 0.640 1.00 0.00 C ATOM 1158 CG1 ILE A 79 5.250 9.294 0.957 1.00 0.00 C ATOM 1159 CG2 ILE A 79 6.331 10.667 -0.844 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.850 9.766 0.636 1.00 0.00 C ATOM 0 H ILE A 79 6.907 9.792 3.004 1.00 0.00 H new ATOM 0 HA ILE A 79 7.912 8.855 0.553 1.00 0.00 H new ATOM 0 HB ILE A 79 6.126 11.237 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.453 8.381 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.303 9.037 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.347 11.040 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.081 11.433 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.562 9.774 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.135 8.982 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.626 10.661 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.778 9.995 -0.427 1.00 0.00 H new ATOM 1172 N ARG A 80 9.009 11.786 1.568 1.00 0.00 N ATOM 1173 CA ARG A 80 10.027 12.806 1.340 1.00 0.00 C ATOM 1174 C ARG A 80 11.427 12.219 1.514 1.00 0.00 C ATOM 1175 O ARG A 80 12.402 12.745 0.978 1.00 0.00 O ATOM 1176 CB ARG A 80 9.829 13.990 2.291 1.00 0.00 C ATOM 1177 CG ARG A 80 8.482 14.679 2.134 1.00 0.00 C ATOM 1178 CD ARG A 80 8.275 15.194 0.720 1.00 0.00 C ATOM 1179 NE ARG A 80 6.978 15.849 0.557 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.324 15.938 -0.603 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.852 15.424 -1.714 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.146 16.551 -0.655 1.00 0.00 N ATOM 0 H ARG A 80 8.489 11.897 2.438 1.00 0.00 H new ATOM 0 HA ARG A 80 9.924 13.163 0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.931 13.641 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.622 14.718 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.684 13.981 2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.414 15.509 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.070 15.897 0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.352 14.364 0.018 1.00 0.00 H new ATOM 0 HE ARG A 80 6.546 16.264 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.760 14.960 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.348 15.495 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.742 16.953 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.645 16.620 -1.541 1.00 0.00 H new ATOM 1196 N ALA A 81 11.517 11.121 2.259 1.00 0.00 N ATOM 1197 CA ALA A 81 12.779 10.414 2.439 1.00 0.00 C ATOM 1198 C ALA A 81 13.192 9.725 1.141 1.00 0.00 C ATOM 1199 O ALA A 81 14.357 9.371 0.947 1.00 0.00 O ATOM 1200 CB ALA A 81 12.665 9.401 3.568 1.00 0.00 C ATOM 0 H ALA A 81 10.727 10.701 2.749 1.00 0.00 H new ATOM 0 HA ALA A 81 13.548 11.139 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.616 8.882 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.412 9.916 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.885 8.678 3.331 1.00 0.00 H new ATOM 1206 N ALA A 82 12.225 9.536 0.258 1.00 0.00 N ATOM 1207 CA ALA A 82 12.483 8.979 -1.053 1.00 0.00 C ATOM 1208 C ALA A 82 12.980 10.070 -1.989 1.00 0.00 C ATOM 1209 O ALA A 82 12.360 11.123 -2.122 1.00 0.00 O ATOM 1210 CB ALA A 82 11.225 8.332 -1.599 1.00 0.00 C ATOM 0 H ALA A 82 11.246 9.764 0.431 1.00 0.00 H new ATOM 0 HA ALA A 82 13.255 8.214 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.429 7.916 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.905 7.535 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.436 9.080 -1.677 1.00 0.00 H new ATOM 1216 N LEU A 83 14.106 9.809 -2.632 1.00 0.00 N ATOM 1217 CA LEU A 83 14.770 10.805 -3.459 1.00 0.00 C ATOM 1218 C LEU A 83 14.125 10.907 -4.834 1.00 0.00 C ATOM 1219 O LEU A 83 13.467 11.894 -5.156 1.00 0.00 O ATOM 1220 CB LEU A 83 16.248 10.452 -3.615 1.00 0.00 C ATOM 1221 CG LEU A 83 17.057 10.420 -2.318 1.00 0.00 C ATOM 1222 CD1 LEU A 83 18.480 9.963 -2.591 1.00 0.00 C ATOM 1223 CD2 LEU A 83 17.057 11.787 -1.650 1.00 0.00 C ATOM 0 H LEU A 83 14.583 8.908 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 83 14.671 11.770 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.322 9.475 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.707 11.173 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 83 16.588 9.707 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.042 9.946 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.464 8.963 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.956 10.652 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.638 11.742 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.500 12.521 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.033 12.079 -1.419 1.00 0.00 H new ATOM 1235 N ASN A 84 14.329 9.884 -5.646 1.00 0.00 N ATOM 1236 CA ASN A 84 13.799 9.876 -7.000 1.00 0.00 C ATOM 1237 C ASN A 84 12.648 8.889 -7.139 1.00 0.00 C ATOM 1238 O ASN A 84 11.881 8.956 -8.098 1.00 0.00 O ATOM 1239 CB ASN A 84 14.904 9.554 -8.023 1.00 0.00 C ATOM 1240 CG ASN A 84 15.765 8.356 -7.640 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.328 7.447 -6.932 1.00 0.00 O ATOM 1242 ND2 ASN A 84 17.000 8.348 -8.116 1.00 0.00 N ATOM 0 H ASN A 84 14.857 9.049 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 84 13.416 10.876 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.444 9.364 -8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.545 10.428 -8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.625 7.571 -7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.327 9.118 -8.699 1.00 0.00 H new ATOM 1249 N ALA A 85 12.535 7.965 -6.199 1.00 0.00 N ATOM 1250 CA ALA A 85 11.470 6.976 -6.239 1.00 0.00 C ATOM 1251 C ALA A 85 11.116 6.488 -4.840 1.00 0.00 C ATOM 1252 O ALA A 85 11.965 6.484 -3.949 1.00 0.00 O ATOM 1253 CB ALA A 85 11.875 5.822 -7.136 1.00 0.00 C ATOM 0 H ALA A 85 13.165 7.879 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 85 10.576 7.443 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.074 5.083 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.061 6.193 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.782 5.359 -6.747 1.00 0.00 H new ATOM 1259 N VAL A 86 9.867 6.069 -4.657 1.00 0.00 N ATOM 1260 CA VAL A 86 9.400 5.583 -3.365 1.00 0.00 C ATOM 1261 C VAL A 86 8.667 4.254 -3.532 1.00 0.00 C ATOM 1262 O VAL A 86 8.025 4.013 -4.556 1.00 0.00 O ATOM 1263 CB VAL A 86 8.461 6.607 -2.670 1.00 0.00 C ATOM 1264 CG1 VAL A 86 7.131 6.727 -3.400 1.00 0.00 C ATOM 1265 CG2 VAL A 86 8.240 6.240 -1.208 1.00 0.00 C ATOM 0 H VAL A 86 9.159 6.057 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 86 10.278 5.442 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 86 8.952 7.579 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.498 7.451 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.306 7.059 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.634 5.757 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.579 6.973 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.786 5.251 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.197 6.233 -0.686 1.00 0.00 H new ATOM 1275 N ARG A 87 8.785 3.390 -2.537 1.00 0.00 N ATOM 1276 CA ARG A 87 8.079 2.120 -2.537 1.00 0.00 C ATOM 1277 C ARG A 87 6.820 2.219 -1.690 1.00 0.00 C ATOM 1278 O ARG A 87 6.887 2.524 -0.501 1.00 0.00 O ATOM 1279 CB ARG A 87 8.975 1.011 -1.990 1.00 0.00 C ATOM 1280 CG ARG A 87 10.213 0.755 -2.825 1.00 0.00 C ATOM 1281 CD ARG A 87 11.075 -0.327 -2.207 1.00 0.00 C ATOM 1282 NE ARG A 87 12.213 -0.676 -3.054 1.00 0.00 N ATOM 1283 CZ ARG A 87 13.276 -1.353 -2.630 1.00 0.00 C ATOM 1284 NH1 ARG A 87 13.384 -1.699 -1.354 1.00 0.00 N ATOM 1285 NH2 ARG A 87 14.244 -1.661 -3.483 1.00 0.00 N ATOM 0 H ARG A 87 9.367 3.547 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 87 7.804 1.881 -3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.280 1.270 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.397 0.090 -1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.921 0.460 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.790 1.675 -2.917 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.437 0.010 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.469 -1.216 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 87 12.191 -0.382 -4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.650 -1.446 -0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.201 -2.218 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.171 -1.379 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.061 -2.180 -3.161 1.00 0.00 H new ATOM 1299 N LEU A 88 5.678 1.989 -2.314 1.00 0.00 N ATOM 1300 CA LEU A 88 4.405 2.028 -1.614 1.00 0.00 C ATOM 1301 C LEU A 88 3.685 0.691 -1.746 1.00 0.00 C ATOM 1302 O LEU A 88 3.422 0.226 -2.855 1.00 0.00 O ATOM 1303 CB LEU A 88 3.524 3.152 -2.174 1.00 0.00 C ATOM 1304 CG LEU A 88 4.138 4.552 -2.121 1.00 0.00 C ATOM 1305 CD1 LEU A 88 3.227 5.562 -2.795 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.410 4.964 -0.684 1.00 0.00 C ATOM 0 H LEU A 88 5.606 1.772 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 88 4.598 2.222 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.281 2.919 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.584 3.164 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 88 5.086 4.528 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.682 6.551 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.080 5.281 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.264 5.580 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.847 5.963 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.475 4.968 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.104 4.258 -0.228 1.00 0.00 H new ATOM 1318 N LEU A 89 3.381 0.071 -0.621 1.00 0.00 N ATOM 1319 CA LEU A 89 2.661 -1.191 -0.620 1.00 0.00 C ATOM 1320 C LEU A 89 1.199 -0.963 -0.259 1.00 0.00 C ATOM 1321 O LEU A 89 0.890 -0.484 0.835 1.00 0.00 O ATOM 1322 CB LEU A 89 3.290 -2.168 0.372 1.00 0.00 C ATOM 1323 CG LEU A 89 2.624 -3.543 0.434 1.00 0.00 C ATOM 1324 CD1 LEU A 89 3.076 -4.420 -0.718 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.923 -4.216 1.753 1.00 0.00 C ATOM 0 H LEU A 89 3.622 0.421 0.306 1.00 0.00 H new ATOM 0 HA LEU A 89 2.720 -1.619 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.340 -2.301 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.262 -1.722 1.366 1.00 0.00 H new ATOM 0 HG LEU A 89 1.547 -3.399 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.587 -5.392 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.810 -3.946 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.157 -4.554 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.441 -5.193 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.000 -4.339 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.543 -3.602 2.569 1.00 0.00 H new ATOM 1337 N VAL A 90 0.305 -1.295 -1.177 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.125 -1.147 -0.937 1.00 0.00 C ATOM 1339 C VAL A 90 -1.857 -2.442 -1.250 1.00 0.00 C ATOM 1340 O VAL A 90 -1.399 -3.235 -2.071 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.739 0.002 -1.774 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.204 1.354 -1.328 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.476 -0.207 -3.260 1.00 0.00 C ATOM 0 H VAL A 90 0.543 -1.669 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.244 -0.902 0.118 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.816 -0.009 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.653 2.141 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.454 1.516 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.121 1.375 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.917 0.613 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.401 -0.235 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.921 -1.149 -3.579 1.00 0.00 H new ATOM 1353 N VAL A 91 -2.993 -2.644 -0.600 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.765 -3.866 -0.765 1.00 0.00 C ATOM 1355 C VAL A 91 -5.237 -3.540 -1.000 1.00 0.00 C ATOM 1356 O VAL A 91 -5.737 -2.509 -0.535 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.631 -4.791 0.475 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.334 -4.196 1.688 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.162 -6.187 0.180 1.00 0.00 C ATOM 0 H VAL A 91 -3.402 -1.973 0.050 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.367 -4.391 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.569 -4.873 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.222 -4.867 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.891 -3.229 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.393 -4.065 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.055 -6.812 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.215 -6.125 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.597 -6.625 -0.643 1.00 0.00 H new ATOM 1369 N ASP A 92 -5.913 -4.410 -1.741 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.350 -4.291 -1.954 1.00 0.00 C ATOM 1371 C ASP A 92 -8.083 -4.645 -0.670 1.00 0.00 C ATOM 1372 O ASP A 92 -8.017 -5.786 -0.209 1.00 0.00 O ATOM 1373 CB ASP A 92 -7.823 -5.229 -3.072 1.00 0.00 C ATOM 1374 CG ASP A 92 -7.241 -4.891 -4.426 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -6.080 -5.268 -4.688 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -7.948 -4.268 -5.243 1.00 0.00 O ATOM 0 H ASP A 92 -5.486 -5.210 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.567 -3.263 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.554 -6.253 -2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.911 -5.191 -3.132 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.802 -3.674 -0.081 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.530 -3.873 1.182 1.00 0.00 C ATOM 1383 C PRO A 93 -10.550 -5.006 1.090 1.00 0.00 C ATOM 1384 O PRO A 93 -10.908 -5.619 2.092 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.233 -2.530 1.408 1.00 0.00 C ATOM 1386 CG PRO A 93 -9.440 -1.549 0.614 1.00 0.00 C ATOM 1387 CD PRO A 93 -8.959 -2.302 -0.593 1.00 0.00 C ATOM 0 HA PRO A 93 -8.863 -4.158 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.270 -2.565 1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.248 -2.264 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.051 -0.694 0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.602 -1.161 1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.677 -2.256 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.019 -1.901 -0.971 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.003 -5.278 -0.125 1.00 0.00 N ATOM 1396 CA GLU A 94 -11.936 -6.368 -0.372 1.00 0.00 C ATOM 1397 C GLU A 94 -11.290 -7.723 -0.074 1.00 0.00 C ATOM 1398 O GLU A 94 -11.880 -8.567 0.602 1.00 0.00 O ATOM 1399 CB GLU A 94 -12.442 -6.312 -1.816 1.00 0.00 C ATOM 1400 CG GLU A 94 -11.341 -6.111 -2.843 1.00 0.00 C ATOM 1401 CD GLU A 94 -11.879 -5.914 -4.243 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -12.219 -4.766 -4.594 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -11.969 -6.906 -4.994 1.00 0.00 O ATOM 0 H GLU A 94 -10.738 -4.755 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.786 -6.252 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.972 -7.237 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.164 -5.500 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.742 -5.245 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.677 -6.975 -2.831 1.00 0.00 H new ATOM 1410 N THR A 95 -10.085 -7.929 -0.586 1.00 0.00 N ATOM 1411 CA THR A 95 -9.337 -9.146 -0.316 1.00 0.00 C ATOM 1412 C THR A 95 -8.788 -9.144 1.112 1.00 0.00 C ATOM 1413 O THR A 95 -8.786 -10.168 1.794 1.00 0.00 O ATOM 1414 CB THR A 95 -8.177 -9.315 -1.313 1.00 0.00 C ATOM 1415 OG1 THR A 95 -8.664 -9.153 -2.654 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.539 -10.687 -1.164 1.00 0.00 C ATOM 0 H THR A 95 -9.604 -7.265 -1.193 1.00 0.00 H new ATOM 0 HA THR A 95 -10.025 -9.984 -0.431 1.00 0.00 H new ATOM 0 HB THR A 95 -7.424 -8.555 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.137 -9.711 -3.263 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.721 -10.787 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.153 -10.801 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.285 -11.458 -1.357 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.339 -7.976 1.556 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.770 -7.806 2.896 1.00 0.00 C ATOM 1426 C ASP A 96 -8.765 -8.203 3.979 1.00 0.00 C ATOM 1427 O ASP A 96 -8.381 -8.735 5.021 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.333 -6.350 3.077 1.00 0.00 C ATOM 1429 CG ASP A 96 -6.934 -6.018 4.500 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.772 -6.266 4.878 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -7.774 -5.464 5.237 1.00 0.00 O ATOM 0 H ASP A 96 -8.357 -7.120 1.002 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.906 -8.463 2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.493 -6.145 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.147 -5.693 2.772 1.00 0.00 H new ATOM 1436 N GLU A 97 -10.045 -7.989 3.702 1.00 0.00 N ATOM 1437 CA GLU A 97 -11.103 -8.300 4.652 1.00 0.00 C ATOM 1438 C GLU A 97 -11.055 -9.784 5.039 1.00 0.00 C ATOM 1439 O GLU A 97 -11.110 -10.128 6.223 1.00 0.00 O ATOM 1440 CB GLU A 97 -12.461 -7.945 4.038 1.00 0.00 C ATOM 1441 CG GLU A 97 -13.460 -7.346 5.023 1.00 0.00 C ATOM 1442 CD GLU A 97 -13.887 -8.313 6.105 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -14.415 -9.392 5.766 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -13.699 -8.004 7.299 1.00 0.00 O ATOM 0 H GLU A 97 -10.376 -7.598 2.820 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.958 -7.710 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.304 -7.238 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.895 -8.844 3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -13.018 -6.464 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -14.342 -7.010 4.477 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.960 -10.662 4.040 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.832 -12.094 4.306 1.00 0.00 C ATOM 1453 C GLN A 98 -9.426 -12.436 4.806 1.00 0.00 C ATOM 1454 O GLN A 98 -9.269 -13.243 5.722 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.183 -12.942 3.070 1.00 0.00 C ATOM 1456 CG GLN A 98 -10.214 -12.793 1.909 1.00 0.00 C ATOM 1457 CD GLN A 98 -10.441 -13.822 0.821 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -11.217 -13.601 -0.106 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -9.758 -14.950 0.922 1.00 0.00 N ATOM 0 H GLN A 98 -10.969 -10.411 3.051 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.549 -12.338 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.221 -13.991 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.182 -12.670 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.313 -11.794 1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.193 -12.882 2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.124 -15.094 1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.865 -15.676 0.214 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.410 -11.805 4.213 1.00 0.00 N ATOM 1469 CA LEU A 99 -7.015 -12.136 4.505 1.00 0.00 C ATOM 1470 C LEU A 99 -6.671 -11.908 5.974 1.00 0.00 C ATOM 1471 O LEU A 99 -5.928 -12.688 6.570 1.00 0.00 O ATOM 1472 CB LEU A 99 -6.062 -11.330 3.620 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.015 -11.755 2.150 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -5.036 -10.880 1.385 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -5.622 -13.222 2.027 1.00 0.00 C ATOM 0 H LEU A 99 -8.529 -11.060 3.526 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.891 -13.197 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.349 -10.280 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.057 -11.405 4.035 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.009 -11.630 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.010 -11.190 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.354 -9.839 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.041 -10.982 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.594 -13.504 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.637 -13.373 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.353 -13.839 2.549 1.00 0.00 H new ATOM 1487 N GLN A 100 -7.213 -10.843 6.556 1.00 0.00 N ATOM 1488 CA GLN A 100 -6.970 -10.531 7.964 1.00 0.00 C ATOM 1489 C GLN A 100 -7.401 -11.680 8.872 1.00 0.00 C ATOM 1490 O GLN A 100 -6.758 -11.959 9.883 1.00 0.00 O ATOM 1491 CB GLN A 100 -7.702 -9.253 8.372 1.00 0.00 C ATOM 1492 CG GLN A 100 -7.115 -7.983 7.783 1.00 0.00 C ATOM 1493 CD GLN A 100 -7.522 -6.750 8.562 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -7.678 -6.798 9.782 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -7.720 -5.645 7.867 1.00 0.00 N ATOM 0 H GLN A 100 -7.823 -10.181 6.077 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.897 -10.381 8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.745 -9.333 8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.693 -9.174 9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.028 -8.060 7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.440 -7.880 6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.580 -5.646 6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.013 -4.790 8.340 1.00 0.00 H new ATOM 1504 N LYS A 101 -8.484 -12.350 8.498 1.00 0.00 N ATOM 1505 CA LYS A 101 -9.025 -13.456 9.285 1.00 0.00 C ATOM 1506 C LYS A 101 -8.138 -14.692 9.173 1.00 0.00 C ATOM 1507 O LYS A 101 -8.208 -15.601 10.002 1.00 0.00 O ATOM 1508 CB LYS A 101 -10.438 -13.796 8.807 1.00 0.00 C ATOM 1509 CG LYS A 101 -11.422 -12.651 8.955 1.00 0.00 C ATOM 1510 CD LYS A 101 -12.740 -12.953 8.258 1.00 0.00 C ATOM 1511 CE LYS A 101 -13.735 -11.819 8.436 1.00 0.00 C ATOM 1512 NZ LYS A 101 -13.111 -10.493 8.181 1.00 0.00 N ATOM 0 H LYS A 101 -9.010 -12.146 7.648 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.057 -13.145 10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.396 -14.095 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.806 -14.655 9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.604 -12.461 10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.989 -11.742 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.562 -13.119 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.162 -13.875 8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.575 -11.962 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.137 -11.843 9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.855 -9.786 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.547 -10.210 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.494 -10.555 7.346 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.315 -14.721 8.138 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.492 -15.882 7.838 1.00 0.00 C ATOM 1528 C LEU A 102 -5.047 -15.672 8.295 1.00 0.00 C ATOM 1529 O LEU A 102 -4.380 -16.607 8.742 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.560 -16.151 6.334 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.978 -16.367 5.795 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -8.032 -16.110 4.299 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.457 -17.775 6.112 1.00 0.00 C ATOM 0 H LEU A 102 -7.198 -13.946 7.485 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.872 -16.746 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.107 -15.312 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.960 -17.032 6.107 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.642 -15.656 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.048 -16.270 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.732 -15.082 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.354 -16.794 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.466 -17.912 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.787 -18.500 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.462 -17.923 7.192 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.573 -14.438 8.188 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.226 -14.114 8.617 1.00 0.00 C ATOM 1547 C GLY A 103 -2.560 -13.121 7.689 1.00 0.00 C ATOM 1548 O GLY A 103 -1.845 -13.507 6.767 1.00 0.00 O ATOM 0 H GLY A 103 -5.100 -13.651 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.256 -13.704 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.630 -15.026 8.661 1.00 0.00 H new ATOM 1552 N VAL A 104 -2.786 -11.839 7.933 1.00 0.00 N ATOM 1553 CA VAL A 104 -2.289 -10.802 7.044 1.00 0.00 C ATOM 1554 C VAL A 104 -0.849 -10.404 7.378 1.00 0.00 C ATOM 1555 O VAL A 104 -0.581 -9.698 8.348 1.00 0.00 O ATOM 1556 CB VAL A 104 -3.218 -9.560 7.039 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -3.513 -9.077 8.453 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.622 -8.438 6.202 1.00 0.00 C ATOM 0 H VAL A 104 -3.309 -11.493 8.737 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.289 -11.224 6.039 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.163 -9.861 6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.167 -8.206 8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.004 -9.872 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.580 -8.807 8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.293 -7.579 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.655 -8.150 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.490 -8.780 5.176 1.00 0.00 H new ATOM 1568 N GLN A 105 0.077 -10.910 6.574 1.00 0.00 N ATOM 1569 CA GLN A 105 1.473 -10.493 6.629 1.00 0.00 C ATOM 1570 C GLN A 105 1.906 -10.070 5.233 1.00 0.00 C ATOM 1571 O GLN A 105 2.923 -10.508 4.705 1.00 0.00 O ATOM 1572 CB GLN A 105 2.361 -11.622 7.155 1.00 0.00 C ATOM 1573 CG GLN A 105 2.023 -12.034 8.579 1.00 0.00 C ATOM 1574 CD GLN A 105 2.958 -13.092 9.127 1.00 0.00 C ATOM 1575 OE1 GLN A 105 3.206 -13.147 10.331 1.00 0.00 O ATOM 1576 NE2 GLN A 105 3.478 -13.937 8.254 1.00 0.00 N ATOM 0 H GLN A 105 -0.117 -11.619 5.867 1.00 0.00 H new ATOM 0 HA GLN A 105 1.577 -9.654 7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.263 -12.488 6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.403 -11.306 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.059 -11.156 9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.000 -12.410 8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.245 -13.855 7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.112 -14.671 8.570 1.00 0.00 H new ATOM 1585 N VAL A 106 1.077 -9.226 4.636 1.00 0.00 N ATOM 1586 CA VAL A 106 1.227 -8.794 3.250 1.00 0.00 C ATOM 1587 C VAL A 106 2.466 -7.926 2.996 1.00 0.00 C ATOM 1588 O VAL A 106 2.827 -7.716 1.842 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.028 -8.036 2.768 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -1.245 -8.949 2.783 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -0.277 -6.779 3.596 1.00 0.00 C ATOM 0 H VAL A 106 0.270 -8.815 5.105 1.00 0.00 H new ATOM 0 HA VAL A 106 1.358 -9.714 2.680 1.00 0.00 H new ATOM 0 HB VAL A 106 0.150 -7.718 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.119 -8.396 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.071 -9.798 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.418 -9.308 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.169 -6.271 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.422 -7.054 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.581 -6.112 3.512 1.00 0.00 H new ATOM 1601 N ARG A 107 3.111 -7.428 4.057 1.00 0.00 N ATOM 1602 CA ARG A 107 4.059 -6.314 3.922 1.00 0.00 C ATOM 1603 C ARG A 107 5.216 -6.631 2.963 1.00 0.00 C ATOM 1604 O ARG A 107 5.679 -5.745 2.247 1.00 0.00 O ATOM 1605 CB ARG A 107 4.595 -5.867 5.296 1.00 0.00 C ATOM 1606 CG ARG A 107 5.901 -6.519 5.717 1.00 0.00 C ATOM 1607 CD ARG A 107 7.028 -5.495 5.825 1.00 0.00 C ATOM 1608 NE ARG A 107 7.245 -4.759 4.575 1.00 0.00 N ATOM 1609 CZ ARG A 107 8.418 -4.694 3.941 1.00 0.00 C ATOM 1610 NH1 ARG A 107 9.483 -5.310 4.435 1.00 0.00 N ATOM 1611 NH2 ARG A 107 8.526 -4.012 2.810 1.00 0.00 N ATOM 0 H ARG A 107 2.996 -7.774 5.010 1.00 0.00 H new ATOM 0 HA ARG A 107 3.501 -5.488 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.734 -4.786 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.839 -6.081 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.767 -7.017 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.175 -7.288 4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 107 6.797 -4.789 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.950 -6.004 6.107 1.00 0.00 H new ATOM 0 HE ARG A 107 6.451 -4.267 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 107 9.409 -5.838 5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 107 10.376 -5.256 3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.712 -3.535 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.423 -3.964 2.327 1.00 0.00 H new ATOM 1625 N GLU A 108 5.681 -7.871 2.938 1.00 0.00 N ATOM 1626 CA GLU A 108 6.750 -8.243 2.010 1.00 0.00 C ATOM 1627 C GLU A 108 6.862 -9.760 1.885 1.00 0.00 C ATOM 1628 O GLU A 108 7.373 -10.283 0.892 1.00 0.00 O ATOM 1629 CB GLU A 108 8.089 -7.682 2.502 1.00 0.00 C ATOM 1630 CG GLU A 108 9.242 -7.868 1.526 1.00 0.00 C ATOM 1631 CD GLU A 108 10.594 -7.663 2.179 1.00 0.00 C ATOM 1632 OE1 GLU A 108 11.017 -6.502 2.346 1.00 0.00 O ATOM 1633 OE2 GLU A 108 11.242 -8.670 2.532 1.00 0.00 O ATOM 0 H GLU A 108 5.346 -8.627 3.535 1.00 0.00 H new ATOM 0 HA GLU A 108 6.508 -7.825 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.970 -6.618 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.346 -8.162 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.196 -8.871 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.131 -7.166 0.700 1.00 0.00 H new ATOM 1640 N GLU A 109 6.376 -10.455 2.902 1.00 0.00 N ATOM 1641 CA GLU A 109 6.510 -11.903 3.012 1.00 0.00 C ATOM 1642 C GLU A 109 5.954 -12.613 1.778 1.00 0.00 C ATOM 1643 O GLU A 109 6.596 -13.507 1.227 1.00 0.00 O ATOM 1644 CB GLU A 109 5.794 -12.389 4.279 1.00 0.00 C ATOM 1645 CG GLU A 109 6.438 -11.924 5.590 1.00 0.00 C ATOM 1646 CD GLU A 109 6.513 -10.409 5.741 1.00 0.00 C ATOM 1647 OE1 GLU A 109 5.570 -9.706 5.309 1.00 0.00 O ATOM 1648 OE2 GLU A 109 7.532 -9.914 6.266 1.00 0.00 O ATOM 0 H GLU A 109 5.874 -10.029 3.681 1.00 0.00 H new ATOM 0 HA GLU A 109 7.570 -12.146 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.761 -12.042 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.765 -13.479 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.872 -12.335 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.445 -12.335 5.654 1.00 0.00 H new ATOM 1655 N LEU A 110 4.775 -12.195 1.337 1.00 0.00 N ATOM 1656 CA LEU A 110 4.141 -12.793 0.163 1.00 0.00 C ATOM 1657 C LEU A 110 4.760 -12.273 -1.129 1.00 0.00 C ATOM 1658 O LEU A 110 4.613 -12.881 -2.187 1.00 0.00 O ATOM 1659 CB LEU A 110 2.632 -12.524 0.150 1.00 0.00 C ATOM 1660 CG LEU A 110 1.792 -13.330 1.149 1.00 0.00 C ATOM 1661 CD1 LEU A 110 2.102 -14.816 1.039 1.00 0.00 C ATOM 1662 CD2 LEU A 110 2.005 -12.839 2.571 1.00 0.00 C ATOM 0 H LEU A 110 4.237 -11.446 1.772 1.00 0.00 H new ATOM 0 HA LEU A 110 4.309 -13.868 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.471 -11.464 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.257 -12.725 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 110 0.742 -13.179 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.495 -15.368 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.875 -15.161 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.158 -14.984 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.396 -13.430 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.057 -12.944 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.715 -11.791 2.641 1.00 0.00 H new ATOM 1674 N LEU A 111 5.451 -11.145 -1.037 1.00 0.00 N ATOM 1675 CA LEU A 111 6.061 -10.519 -2.206 1.00 0.00 C ATOM 1676 C LEU A 111 7.322 -11.258 -2.632 1.00 0.00 C ATOM 1677 O LEU A 111 7.666 -11.284 -3.812 1.00 0.00 O ATOM 1678 CB LEU A 111 6.400 -9.055 -1.914 1.00 0.00 C ATOM 1679 CG LEU A 111 5.205 -8.103 -1.850 1.00 0.00 C ATOM 1680 CD1 LEU A 111 5.646 -6.733 -1.368 1.00 0.00 C ATOM 1681 CD2 LEU A 111 4.547 -7.993 -3.213 1.00 0.00 C ATOM 0 H LEU A 111 5.604 -10.642 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 111 5.338 -10.567 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.933 -9.006 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.086 -8.699 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 111 4.479 -8.504 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.784 -6.067 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.084 -6.821 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.387 -6.326 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.698 -7.312 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.268 -7.611 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.202 -8.977 -3.531 1.00 0.00 H new