USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 873 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 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -3.25 K(o=-3.3,f=-4.4!) USER MOD Single : A 9 HIS : no HD1:sc= -4.33 K(o=-4.3,f=-2.9) USER MOD Single : A 10 ASN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.864 K(o=-0.86,f=-3.4!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 71:sc= 0.524 USER MOD Single : A 32 HIS : no HE2:sc= -0.204 K(o=-0.2,f=-1.4) USER MOD Single : A 37 THR OG1 : rot -169:sc= 1.23 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0533 USER MOD Single : A 39 MET CE :methyl -158:sc= -0.0149 (180deg=-0.487) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -121:sc= -1.98 (180deg=-7.31!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -109:sc= 1.18 (180deg=-0.081) USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 0.498 (180deg=-0.259) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.774 USER MOD Single : A 64 THR OG1 : rot -21:sc= 0.556 USER MOD Single : A 79 CYS SG : rot 4:sc= 0.317 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.732 K(o=-0.73,f=-2.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.967 X(o=-0.97,f=-0.73) USER MOD Single : A 91 MET CE :methyl -163:sc= 0 (180deg=-0.345) USER MOD Single : A 101 LYS NZ :NH3+ -115:sc= 0.0733 (180deg=-0.332) USER MOD Single : A 103 ASN : amide:sc= -0.292 K(o=-0.29,f=-3.8!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 112 MET CE :methyl -156:sc= -2.99! (180deg=-5.71!) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -6.870 9.377 -10.884 1.00 0.00 N ATOM 36 CA MET A 4 -7.517 8.073 -10.805 1.00 0.00 C ATOM 37 C MET A 4 -7.221 7.399 -9.469 1.00 0.00 C ATOM 38 O MET A 4 -8.122 7.189 -8.656 1.00 0.00 O ATOM 39 CB MET A 4 -7.050 7.178 -11.955 1.00 0.00 C ATOM 40 CG MET A 4 -8.038 6.081 -12.312 1.00 0.00 C ATOM 41 SD MET A 4 -7.893 4.639 -11.238 1.00 0.00 S ATOM 42 CE MET A 4 -9.614 4.180 -11.052 1.00 0.00 C ATOM 0 HA MET A 4 -8.594 8.224 -10.885 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.872 7.795 -12.835 1.00 0.00 H new ATOM 0 HB3 MET A 4 -6.097 6.723 -11.686 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.052 6.476 -12.249 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.879 5.776 -13.346 1.00 0.00 H new ATOM 0 HE1 MET A 4 -9.689 3.301 -10.412 1.00 0.00 H new ATOM 0 HE2 MET A 4 -10.164 5.006 -10.601 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.038 3.953 -12.030 1.00 0.00 H new ATOM 52 N LEU A 5 -5.954 7.059 -9.250 1.00 0.00 N ATOM 53 CA LEU A 5 -5.532 6.405 -8.018 1.00 0.00 C ATOM 54 C LEU A 5 -6.055 7.150 -6.788 1.00 0.00 C ATOM 55 O LEU A 5 -5.547 8.215 -6.438 1.00 0.00 O ATOM 56 CB LEU A 5 -4.006 6.320 -7.962 1.00 0.00 C ATOM 57 CG LEU A 5 -3.399 5.104 -8.662 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.766 3.825 -7.924 1.00 0.00 C ATOM 59 CD2 LEU A 5 -3.862 5.037 -10.109 1.00 0.00 C ATOM 0 H LEU A 5 -5.199 7.227 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.951 5.399 -8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.590 7.223 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.696 6.311 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.314 5.207 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.325 2.970 -8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.386 3.872 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.850 3.716 -7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.420 4.165 -10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.949 4.957 -10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.549 5.940 -10.633 1.00 0.00 H new ATOM 71 N PRO A 6 -7.083 6.600 -6.114 1.00 0.00 N ATOM 72 CA PRO A 6 -7.667 7.224 -4.920 1.00 0.00 C ATOM 73 C PRO A 6 -6.630 7.467 -3.829 1.00 0.00 C ATOM 74 O PRO A 6 -5.817 6.593 -3.527 1.00 0.00 O ATOM 75 CB PRO A 6 -8.706 6.202 -4.449 1.00 0.00 C ATOM 76 CG PRO A 6 -9.025 5.394 -5.658 1.00 0.00 C ATOM 77 CD PRO A 6 -7.755 5.333 -6.457 1.00 0.00 C ATOM 0 HA PRO A 6 -8.087 8.205 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.310 5.576 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.596 6.695 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.362 4.395 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.828 5.853 -6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.149 4.469 -6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.954 5.259 -7.526 1.00 0.00 H new ATOM 85 N HIS A 7 -6.663 8.658 -3.240 1.00 0.00 N ATOM 86 CA HIS A 7 -5.726 9.015 -2.181 1.00 0.00 C ATOM 87 C HIS A 7 -6.437 9.112 -0.835 1.00 0.00 C ATOM 88 O HIS A 7 -7.595 8.717 -0.703 1.00 0.00 O ATOM 89 CB HIS A 7 -5.038 10.342 -2.505 1.00 0.00 C ATOM 90 CG HIS A 7 -4.564 10.443 -3.921 1.00 0.00 C ATOM 91 ND1 HIS A 7 -3.230 10.407 -4.273 1.00 0.00 N ATOM 92 CD2 HIS A 7 -5.252 10.579 -5.079 1.00 0.00 C ATOM 93 CE1 HIS A 7 -3.121 10.517 -5.586 1.00 0.00 C ATOM 94 NE2 HIS A 7 -4.333 10.622 -6.097 1.00 0.00 N ATOM 0 H HIS A 7 -7.329 9.393 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.973 8.230 -2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.731 11.159 -2.304 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.187 10.473 -1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.325 10.642 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -2.197 10.520 -6.145 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.551 10.719 -7.089 1.00 0.00 H new ATOM 103 N LEU A 8 -5.735 9.642 0.161 1.00 0.00 N ATOM 104 CA LEU A 8 -6.297 9.795 1.499 1.00 0.00 C ATOM 105 C LEU A 8 -5.320 10.520 2.418 1.00 0.00 C ATOM 106 O LEU A 8 -4.131 10.204 2.449 1.00 0.00 O ATOM 107 CB LEU A 8 -6.652 8.426 2.084 1.00 0.00 C ATOM 108 CG LEU A 8 -7.994 8.363 2.814 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.145 8.456 1.825 1.00 0.00 C ATOM 110 CD2 LEU A 8 -8.095 7.085 3.634 1.00 0.00 C ATOM 0 H LEU A 8 -4.775 9.973 0.067 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.204 10.394 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.660 7.694 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.865 8.128 2.776 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.057 9.213 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.092 8.409 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.082 9.399 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.087 7.626 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.056 7.057 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.010 6.222 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.291 7.060 4.369 1.00 0.00 H new ATOM 122 N HIS A 9 -5.830 11.493 3.165 1.00 0.00 N ATOM 123 CA HIS A 9 -5.002 12.263 4.087 1.00 0.00 C ATOM 124 C HIS A 9 -5.814 12.729 5.291 1.00 0.00 C ATOM 125 O HIS A 9 -6.193 13.896 5.382 1.00 0.00 O ATOM 126 CB HIS A 9 -4.392 13.471 3.369 1.00 0.00 C ATOM 127 CG HIS A 9 -3.834 13.148 2.018 1.00 0.00 C ATOM 128 ND1 HIS A 9 -4.411 13.582 0.842 1.00 0.00 N ATOM 129 CD2 HIS A 9 -2.745 12.428 1.658 1.00 0.00 C ATOM 130 CE1 HIS A 9 -3.700 13.144 -0.182 1.00 0.00 C ATOM 131 NE2 HIS A 9 -2.685 12.441 0.286 1.00 0.00 N ATOM 0 H HIS A 9 -6.812 11.767 3.150 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.200 11.616 4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.154 14.243 3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.599 13.889 3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.053 11.936 2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.913 13.329 -1.224 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -1.972 11.982 -0.280 1.00 0.00 H new ATOM 140 N ASN A 10 -6.078 11.809 6.212 1.00 0.00 N ATOM 141 CA ASN A 10 -6.845 12.126 7.412 1.00 0.00 C ATOM 142 C ASN A 10 -6.959 10.906 8.322 1.00 0.00 C ATOM 143 O ASN A 10 -7.221 9.796 7.858 1.00 0.00 O ATOM 144 CB ASN A 10 -8.240 12.628 7.032 1.00 0.00 C ATOM 145 CG ASN A 10 -8.658 13.840 7.842 1.00 0.00 C ATOM 146 OD1 ASN A 10 -8.998 14.884 7.287 1.00 0.00 O ATOM 147 ND2 ASN A 10 -8.634 13.706 9.163 1.00 0.00 N ATOM 0 H ASN A 10 -5.772 10.838 6.151 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.319 12.912 7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.256 12.880 5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.964 11.827 7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.904 14.488 9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.345 12.821 9.581 1.00 0.00 H new ATOM 154 N GLY A 11 -6.760 11.120 9.618 1.00 0.00 N ATOM 155 CA GLY A 11 -6.846 10.029 10.572 1.00 0.00 C ATOM 156 C GLY A 11 -8.199 9.346 10.551 1.00 0.00 C ATOM 157 O GLY A 11 -8.302 8.149 10.820 1.00 0.00 O ATOM 0 H GLY A 11 -6.541 12.029 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.069 9.296 10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.650 10.410 11.574 1.00 0.00 H new ATOM 161 N TRP A 12 -9.240 10.108 10.231 1.00 0.00 N ATOM 162 CA TRP A 12 -10.594 9.569 10.176 1.00 0.00 C ATOM 163 C TRP A 12 -10.788 8.718 8.926 1.00 0.00 C ATOM 164 O TRP A 12 -11.452 7.681 8.966 1.00 0.00 O ATOM 165 CB TRP A 12 -11.618 10.706 10.197 1.00 0.00 C ATOM 166 CG TRP A 12 -11.394 11.687 11.307 1.00 0.00 C ATOM 167 CD1 TRP A 12 -11.182 13.030 11.182 1.00 0.00 C ATOM 168 CD2 TRP A 12 -11.359 11.402 12.710 1.00 0.00 C ATOM 169 NE1 TRP A 12 -11.018 13.598 12.423 1.00 0.00 N ATOM 170 CE2 TRP A 12 -11.122 12.619 13.376 1.00 0.00 C ATOM 171 CE3 TRP A 12 -11.505 10.237 13.467 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -11.028 12.702 14.764 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -11.412 10.321 14.844 1.00 0.00 C ATOM 174 CH2 TRP A 12 -11.176 11.546 15.480 1.00 0.00 C ATOM 0 H TRP A 12 -9.172 11.101 10.006 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.744 8.937 11.052 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -11.584 11.233 9.244 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -12.618 10.283 10.292 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.148 13.567 10.246 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -10.847 14.587 12.605 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -11.687 9.288 12.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -10.845 13.645 15.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -11.523 9.427 15.439 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -11.110 11.579 16.557 1.00 0.00 H new ATOM 185 N GLN A 13 -10.205 9.160 7.818 1.00 0.00 N ATOM 186 CA GLN A 13 -10.313 8.438 6.555 1.00 0.00 C ATOM 187 C GLN A 13 -9.378 7.233 6.537 1.00 0.00 C ATOM 188 O GLN A 13 -9.707 6.188 5.976 1.00 0.00 O ATOM 189 CB GLN A 13 -9.990 9.366 5.383 1.00 0.00 C ATOM 190 CG GLN A 13 -10.815 10.643 5.373 1.00 0.00 C ATOM 191 CD GLN A 13 -10.426 11.579 4.245 1.00 0.00 C ATOM 192 OE1 GLN A 13 -9.953 12.691 4.481 1.00 0.00 O ATOM 193 NE2 GLN A 13 -10.625 11.133 3.010 1.00 0.00 N ATOM 0 H GLN A 13 -9.652 10.016 7.768 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.338 8.082 6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.932 9.627 5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.155 8.829 4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.871 10.388 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.693 11.158 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.020 10.204 2.861 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.383 11.719 2.211 1.00 0.00 H new ATOM 202 N VAL A 14 -8.212 7.386 7.156 1.00 0.00 N ATOM 203 CA VAL A 14 -7.230 6.309 7.212 1.00 0.00 C ATOM 204 C VAL A 14 -7.662 5.223 8.191 1.00 0.00 C ATOM 205 O VAL A 14 -7.740 4.048 7.835 1.00 0.00 O ATOM 206 CB VAL A 14 -5.841 6.836 7.625 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.801 5.730 7.538 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.440 8.023 6.760 1.00 0.00 C ATOM 0 H VAL A 14 -7.924 8.245 7.626 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.166 5.886 6.210 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.895 7.172 8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.828 6.122 7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.081 4.914 8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.748 5.360 6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.457 8.381 7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.405 7.716 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.171 8.823 6.879 1.00 0.00 H new ATOM 218 N ASP A 15 -7.942 5.626 9.426 1.00 0.00 N ATOM 219 CA ASP A 15 -8.368 4.688 10.458 1.00 0.00 C ATOM 220 C ASP A 15 -9.653 3.973 10.051 1.00 0.00 C ATOM 221 O ASP A 15 -9.914 2.851 10.485 1.00 0.00 O ATOM 222 CB ASP A 15 -8.577 5.419 11.786 1.00 0.00 C ATOM 223 CG ASP A 15 -7.275 5.918 12.382 1.00 0.00 C ATOM 224 OD1 ASP A 15 -6.518 6.604 11.664 1.00 0.00 O ATOM 225 OD2 ASP A 15 -7.014 5.623 13.567 1.00 0.00 O ATOM 0 H ASP A 15 -7.882 6.596 9.736 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.583 3.942 10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.250 6.263 11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.064 4.749 12.494 1.00 0.00 H new ATOM 230 N GLN A 16 -10.453 4.629 9.217 1.00 0.00 N ATOM 231 CA GLN A 16 -11.711 4.055 8.754 1.00 0.00 C ATOM 232 C GLN A 16 -11.506 3.255 7.470 1.00 0.00 C ATOM 233 O GLN A 16 -12.165 2.240 7.249 1.00 0.00 O ATOM 234 CB GLN A 16 -12.744 5.158 8.521 1.00 0.00 C ATOM 235 CG GLN A 16 -14.139 4.632 8.222 1.00 0.00 C ATOM 236 CD GLN A 16 -15.160 5.742 8.067 1.00 0.00 C ATOM 237 OE1 GLN A 16 -15.594 6.344 9.050 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.550 6.019 6.829 1.00 0.00 N ATOM 0 H GLN A 16 -10.252 5.559 8.848 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.078 3.380 9.527 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.787 5.796 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.415 5.783 7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.111 4.039 7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.452 3.965 9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.164 5.495 6.043 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.235 6.756 6.663 1.00 0.00 H new ATOM 247 N ALA A 17 -10.591 3.722 6.627 1.00 0.00 N ATOM 248 CA ALA A 17 -10.301 3.051 5.365 1.00 0.00 C ATOM 249 C ALA A 17 -9.728 1.658 5.599 1.00 0.00 C ATOM 250 O ALA A 17 -10.083 0.705 4.905 1.00 0.00 O ATOM 251 CB ALA A 17 -9.339 3.885 4.533 1.00 0.00 C ATOM 0 H ALA A 17 -10.038 4.562 6.795 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.238 2.942 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.131 3.372 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.787 4.857 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.409 4.025 5.084 1.00 0.00 H new ATOM 257 N ILE A 18 -8.837 1.546 6.580 1.00 0.00 N ATOM 258 CA ILE A 18 -8.213 0.269 6.906 1.00 0.00 C ATOM 259 C ILE A 18 -9.262 -0.790 7.236 1.00 0.00 C ATOM 260 O ILE A 18 -9.153 -1.940 6.809 1.00 0.00 O ATOM 261 CB ILE A 18 -7.242 0.407 8.096 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.544 -0.926 8.377 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.984 0.896 9.332 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.596 -0.876 9.556 1.00 0.00 C ATOM 0 H ILE A 18 -8.531 2.325 7.163 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.653 -0.044 6.025 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.481 1.143 7.838 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.299 -1.690 8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.991 -1.231 7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.285 0.988 10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.433 1.868 9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.766 0.183 9.593 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.138 -1.855 9.696 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.819 -0.135 9.367 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.148 -0.602 10.455 1.00 0.00 H new ATOM 276 N LEU A 19 -10.276 -0.394 7.998 1.00 0.00 N ATOM 277 CA LEU A 19 -11.344 -1.308 8.386 1.00 0.00 C ATOM 278 C LEU A 19 -12.483 -1.293 7.370 1.00 0.00 C ATOM 279 O LEU A 19 -13.280 -2.229 7.306 1.00 0.00 O ATOM 280 CB LEU A 19 -11.878 -0.939 9.772 1.00 0.00 C ATOM 281 CG LEU A 19 -12.624 -2.060 10.498 1.00 0.00 C ATOM 282 CD1 LEU A 19 -12.502 -1.891 12.005 1.00 0.00 C ATOM 283 CD2 LEU A 19 -14.086 -2.083 10.079 1.00 0.00 C ATOM 0 H LEU A 19 -10.381 0.554 8.359 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.928 -2.315 8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.042 -0.618 10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.547 -0.084 9.671 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.172 -3.013 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.038 -2.697 12.506 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.451 -1.922 12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.930 -0.933 12.299 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.603 -2.886 10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.551 -1.129 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.154 -2.250 9.004 1.00 0.00 H new ATOM 295 N SER A 20 -12.559 -0.227 6.579 1.00 0.00 N ATOM 296 CA SER A 20 -13.606 -0.095 5.571 1.00 0.00 C ATOM 297 C SER A 20 -13.169 -0.687 4.232 1.00 0.00 C ATOM 298 O SER A 20 -13.448 -0.120 3.175 1.00 0.00 O ATOM 299 CB SER A 20 -13.984 1.376 5.390 1.00 0.00 C ATOM 300 OG SER A 20 -14.641 1.879 6.541 1.00 0.00 O ATOM 0 H SER A 20 -11.908 0.558 6.616 1.00 0.00 H new ATOM 0 HA SER A 20 -14.476 -0.651 5.921 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.087 1.964 5.193 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.633 1.484 4.521 1.00 0.00 H new ATOM 0 HG SER A 20 -13.995 1.971 7.272 1.00 0.00 H new ATOM 306 N GLU A 21 -12.490 -1.829 4.279 1.00 0.00 N ATOM 307 CA GLU A 21 -12.026 -2.490 3.065 1.00 0.00 C ATOM 308 C GLU A 21 -13.207 -2.932 2.207 1.00 0.00 C ATOM 309 O GLU A 21 -13.363 -2.488 1.070 1.00 0.00 O ATOM 310 CB GLU A 21 -11.154 -3.697 3.417 1.00 0.00 C ATOM 311 CG GLU A 21 -10.131 -3.412 4.504 1.00 0.00 C ATOM 312 CD GLU A 21 -8.927 -4.331 4.426 1.00 0.00 C ATOM 313 OE1 GLU A 21 -8.394 -4.516 3.312 1.00 0.00 O ATOM 314 OE2 GLU A 21 -8.516 -4.863 5.479 1.00 0.00 O ATOM 0 H GLU A 21 -12.249 -2.315 5.143 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.430 -1.777 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.796 -4.517 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.634 -4.033 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.799 -2.377 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.604 -3.520 5.480 1.00 0.00 H new ATOM 321 N GLU A 22 -14.039 -3.808 2.764 1.00 0.00 N ATOM 322 CA GLU A 22 -15.211 -4.310 2.054 1.00 0.00 C ATOM 323 C GLU A 22 -14.817 -4.955 0.729 1.00 0.00 C ATOM 324 O GLU A 22 -15.533 -4.838 -0.265 1.00 0.00 O ATOM 325 CB GLU A 22 -16.207 -3.175 1.806 1.00 0.00 C ATOM 326 CG GLU A 22 -17.597 -3.658 1.431 1.00 0.00 C ATOM 327 CD GLU A 22 -18.694 -2.786 2.013 1.00 0.00 C ATOM 328 OE1 GLU A 22 -18.758 -2.664 3.254 1.00 0.00 O ATOM 329 OE2 GLU A 22 -19.487 -2.226 1.227 1.00 0.00 O ATOM 0 H GLU A 22 -13.923 -4.185 3.705 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.682 -5.070 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.275 -2.560 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.826 -2.536 1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.690 -3.677 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.728 -4.682 1.780 1.00 0.00 H new ATOM 336 N ASP A 23 -13.677 -5.638 0.722 1.00 0.00 N ATOM 337 CA ASP A 23 -13.193 -6.302 -0.482 1.00 0.00 C ATOM 338 C ASP A 23 -12.257 -7.453 -0.133 1.00 0.00 C ATOM 339 O ASP A 23 -12.630 -8.623 -0.231 1.00 0.00 O ATOM 340 CB ASP A 23 -12.478 -5.300 -1.391 1.00 0.00 C ATOM 341 CG ASP A 23 -13.392 -4.179 -1.847 1.00 0.00 C ATOM 342 OD1 ASP A 23 -14.377 -4.470 -2.558 1.00 0.00 O ATOM 343 OD2 ASP A 23 -13.123 -3.013 -1.493 1.00 0.00 O ATOM 0 H ASP A 23 -13.072 -5.746 1.536 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.054 -6.710 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.625 -4.877 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.084 -5.822 -2.263 1.00 0.00 H new ATOM 348 N ARG A 24 -11.045 -7.112 0.273 1.00 0.00 N ATOM 349 CA ARG A 24 -10.049 -8.113 0.639 1.00 0.00 C ATOM 350 C ARG A 24 -8.893 -7.479 1.405 1.00 0.00 C ATOM 351 O ARG A 24 -8.809 -7.588 2.629 1.00 0.00 O ATOM 352 CB ARG A 24 -9.523 -8.823 -0.612 1.00 0.00 C ATOM 353 CG ARG A 24 -9.846 -10.308 -0.649 1.00 0.00 C ATOM 354 CD ARG A 24 -10.927 -10.622 -1.673 1.00 0.00 C ATOM 355 NE ARG A 24 -12.174 -11.044 -1.039 1.00 0.00 N ATOM 356 CZ ARG A 24 -13.371 -10.956 -1.619 1.00 0.00 C ATOM 357 NH1 ARG A 24 -13.490 -10.463 -2.845 1.00 0.00 N ATOM 358 NH2 ARG A 24 -14.451 -11.364 -0.968 1.00 0.00 N ATOM 0 H ARG A 24 -10.724 -6.148 0.359 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.529 -8.845 1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.946 -8.345 -1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.442 -8.693 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.944 -10.871 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.174 -10.634 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.112 -9.740 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.576 -11.408 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.126 -11.429 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.662 -10.148 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.409 -10.399 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.365 -11.744 -0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.368 -11.298 -1.410 1.00 0.00 H new ATOM 372 N VAL A 25 -8.006 -6.820 0.674 1.00 0.00 N ATOM 373 CA VAL A 25 -6.849 -6.168 1.273 1.00 0.00 C ATOM 374 C VAL A 25 -6.877 -4.663 1.026 1.00 0.00 C ATOM 375 O VAL A 25 -7.893 -4.106 0.611 1.00 0.00 O ATOM 376 CB VAL A 25 -5.526 -6.773 0.737 1.00 0.00 C ATOM 377 CG1 VAL A 25 -5.039 -6.049 -0.512 1.00 0.00 C ATOM 378 CG2 VAL A 25 -4.455 -6.772 1.820 1.00 0.00 C ATOM 0 H VAL A 25 -8.065 -6.722 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.897 -6.342 2.348 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.728 -7.806 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.110 -6.503 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.793 -6.127 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.865 -4.998 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.535 -7.201 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.267 -5.749 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.795 -7.366 2.668 1.00 0.00 H new ATOM 388 N VAL A 26 -5.750 -4.017 1.281 1.00 0.00 N ATOM 389 CA VAL A 26 -5.624 -2.591 1.089 1.00 0.00 C ATOM 390 C VAL A 26 -4.158 -2.165 1.060 1.00 0.00 C ATOM 391 O VAL A 26 -3.362 -2.575 1.905 1.00 0.00 O ATOM 392 CB VAL A 26 -6.374 -1.803 2.184 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.881 -2.201 3.567 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.233 -0.301 1.968 1.00 0.00 C ATOM 0 H VAL A 26 -4.903 -4.469 1.625 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.077 -2.359 0.125 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.433 -2.053 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.423 -1.634 4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.051 -3.267 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.815 -1.988 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.770 0.231 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.179 -0.026 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.649 -0.032 0.997 1.00 0.00 H new ATOM 404 N VAL A 27 -3.811 -1.342 0.078 1.00 0.00 N ATOM 405 CA VAL A 27 -2.446 -0.857 -0.070 1.00 0.00 C ATOM 406 C VAL A 27 -2.350 0.623 0.294 1.00 0.00 C ATOM 407 O VAL A 27 -3.284 1.390 0.061 1.00 0.00 O ATOM 408 CB VAL A 27 -1.933 -1.061 -1.511 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.516 -0.525 -1.664 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.996 -2.533 -1.895 1.00 0.00 C ATOM 0 H VAL A 27 -4.459 -0.996 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.823 -1.436 0.612 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.580 -0.500 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.177 -0.680 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.503 0.541 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.148 -1.051 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.631 -2.659 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.376 -3.114 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.027 -2.881 -1.834 1.00 0.00 H new ATOM 420 N ILE A 28 -1.218 1.015 0.867 1.00 0.00 N ATOM 421 CA ILE A 28 -1.002 2.400 1.263 1.00 0.00 C ATOM 422 C ILE A 28 0.441 2.826 1.011 1.00 0.00 C ATOM 423 O ILE A 28 1.378 2.101 1.341 1.00 0.00 O ATOM 424 CB ILE A 28 -1.338 2.620 2.751 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.715 2.038 3.076 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.289 4.101 3.094 1.00 0.00 C ATOM 427 CD1 ILE A 28 -2.693 0.549 3.348 1.00 0.00 C ATOM 0 H ILE A 28 -0.436 0.392 1.068 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.670 3.009 0.654 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.593 2.103 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.122 2.552 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.390 2.237 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.529 4.238 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.289 4.487 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.014 4.640 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.703 0.205 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.317 0.024 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.044 0.344 4.199 1.00 0.00 H new ATOM 439 N ARG A 29 0.611 4.006 0.424 1.00 0.00 N ATOM 440 CA ARG A 29 1.939 4.529 0.127 1.00 0.00 C ATOM 441 C ARG A 29 2.216 5.799 0.926 1.00 0.00 C ATOM 442 O ARG A 29 1.358 6.674 1.037 1.00 0.00 O ATOM 443 CB ARG A 29 2.076 4.815 -1.368 1.00 0.00 C ATOM 444 CG ARG A 29 3.484 4.610 -1.901 1.00 0.00 C ATOM 445 CD ARG A 29 3.546 4.819 -3.405 1.00 0.00 C ATOM 446 NE ARG A 29 2.495 4.085 -4.104 1.00 0.00 N ATOM 447 CZ ARG A 29 2.097 4.360 -5.345 1.00 0.00 C ATOM 448 NH1 ARG A 29 2.661 5.349 -6.026 1.00 0.00 N ATOM 449 NH2 ARG A 29 1.132 3.643 -5.905 1.00 0.00 N ATOM 0 H ARG A 29 -0.155 4.619 0.144 1.00 0.00 H new ATOM 0 HA ARG A 29 2.670 3.774 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.391 4.169 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.769 5.843 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.165 5.303 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.823 3.603 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.455 5.882 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.520 4.498 -3.776 1.00 0.00 H new ATOM 0 HE ARG A 29 2.039 3.316 -3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.403 5.903 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.352 5.555 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.695 2.882 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.827 3.853 -6.855 1.00 0.00 H new ATOM 463 N PHE A 30 3.420 5.891 1.482 1.00 0.00 N ATOM 464 CA PHE A 30 3.812 7.054 2.271 1.00 0.00 C ATOM 465 C PHE A 30 5.018 7.751 1.650 1.00 0.00 C ATOM 466 O PHE A 30 6.060 7.132 1.430 1.00 0.00 O ATOM 467 CB PHE A 30 4.133 6.637 3.707 1.00 0.00 C ATOM 468 CG PHE A 30 2.916 6.490 4.576 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.424 7.571 5.289 1.00 0.00 C ATOM 470 CD2 PHE A 30 2.264 5.272 4.678 1.00 0.00 C ATOM 471 CE1 PHE A 30 1.306 7.440 6.089 1.00 0.00 C ATOM 472 CE2 PHE A 30 1.145 5.134 5.476 1.00 0.00 C ATOM 473 CZ PHE A 30 0.664 6.220 6.183 1.00 0.00 C ATOM 0 H PHE A 30 4.141 5.174 1.401 1.00 0.00 H new ATOM 0 HA PHE A 30 2.976 7.754 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.673 5.691 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.799 7.376 4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.921 8.527 5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.635 4.420 4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.934 8.290 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.646 4.179 5.547 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.211 6.115 6.807 1.00 0.00 H new ATOM 483 N GLY A 31 4.870 9.042 1.370 1.00 0.00 N ATOM 484 CA GLY A 31 5.955 9.801 0.777 1.00 0.00 C ATOM 485 C GLY A 31 5.552 11.223 0.439 1.00 0.00 C ATOM 486 O GLY A 31 4.900 11.896 1.237 1.00 0.00 O ATOM 0 H GLY A 31 4.018 9.576 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.800 9.820 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.294 9.298 -0.129 1.00 0.00 H new ATOM 490 N HIS A 32 5.939 11.680 -0.747 1.00 0.00 N ATOM 491 CA HIS A 32 5.613 13.030 -1.189 1.00 0.00 C ATOM 492 C HIS A 32 4.949 13.009 -2.562 1.00 0.00 C ATOM 493 O HIS A 32 5.212 12.124 -3.376 1.00 0.00 O ATOM 494 CB HIS A 32 6.876 13.893 -1.234 1.00 0.00 C ATOM 495 CG HIS A 32 7.727 13.772 -0.008 1.00 0.00 C ATOM 496 ND1 HIS A 32 7.207 13.714 1.268 1.00 0.00 N ATOM 497 CD2 HIS A 32 9.072 13.696 0.133 1.00 0.00 C ATOM 498 CE1 HIS A 32 8.194 13.609 2.140 1.00 0.00 C ATOM 499 NE2 HIS A 32 9.335 13.596 1.476 1.00 0.00 N ATOM 0 H HIS A 32 6.479 11.135 -1.419 1.00 0.00 H new ATOM 0 HA HIS A 32 4.912 13.460 -0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.467 13.613 -2.106 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.589 14.936 -1.366 1.00 0.00 H new ATOM 0 HD1 HIS A 32 6.215 13.747 1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.801 13.711 -0.663 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.086 13.545 3.213 1.00 0.00 H new ATOM 508 N ASP A 33 4.087 13.988 -2.813 1.00 0.00 N ATOM 509 CA ASP A 33 3.385 14.082 -4.087 1.00 0.00 C ATOM 510 C ASP A 33 4.370 14.230 -5.242 1.00 0.00 C ATOM 511 O ASP A 33 4.152 13.699 -6.330 1.00 0.00 O ATOM 512 CB ASP A 33 2.416 15.266 -4.074 1.00 0.00 C ATOM 513 CG ASP A 33 1.218 15.042 -4.975 1.00 0.00 C ATOM 514 OD1 ASP A 33 1.334 15.297 -6.192 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.163 14.612 -4.464 1.00 0.00 O ATOM 0 H ASP A 33 3.858 14.728 -2.150 1.00 0.00 H new ATOM 0 HA ASP A 33 2.820 13.161 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.073 15.440 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.942 16.166 -4.391 1.00 0.00 H new ATOM 520 N TRP A 34 5.456 14.955 -4.996 1.00 0.00 N ATOM 521 CA TRP A 34 6.477 15.174 -6.015 1.00 0.00 C ATOM 522 C TRP A 34 7.666 14.243 -5.802 1.00 0.00 C ATOM 523 O TRP A 34 8.803 14.592 -6.119 1.00 0.00 O ATOM 524 CB TRP A 34 6.944 16.630 -5.996 1.00 0.00 C ATOM 525 CG TRP A 34 7.252 17.136 -4.620 1.00 0.00 C ATOM 526 CD1 TRP A 34 8.052 16.540 -3.687 1.00 0.00 C ATOM 527 CD2 TRP A 34 6.763 18.342 -4.020 1.00 0.00 C ATOM 528 NE1 TRP A 34 8.092 17.303 -2.544 1.00 0.00 N ATOM 529 CE2 TRP A 34 7.308 18.412 -2.723 1.00 0.00 C ATOM 530 CE3 TRP A 34 5.918 19.368 -4.452 1.00 0.00 C ATOM 531 CZ2 TRP A 34 7.035 19.469 -1.858 1.00 0.00 C ATOM 532 CZ3 TRP A 34 5.648 20.415 -3.592 1.00 0.00 C ATOM 533 CH2 TRP A 34 6.206 20.459 -2.308 1.00 0.00 C ATOM 0 H TRP A 34 5.652 15.401 -4.100 1.00 0.00 H new ATOM 0 HA TRP A 34 6.036 14.955 -6.988 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.833 16.727 -6.619 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.172 17.258 -6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.576 15.606 -3.827 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.620 17.080 -1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 34 5.484 19.343 -5.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.463 19.505 -0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.996 21.213 -3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 34 5.977 21.292 -1.660 1.00 0.00 H new ATOM 544 N ASP A 35 7.396 13.058 -5.266 1.00 0.00 N ATOM 545 CA ASP A 35 8.444 12.076 -5.011 1.00 0.00 C ATOM 546 C ASP A 35 8.667 11.191 -6.236 1.00 0.00 C ATOM 547 O ASP A 35 7.712 10.773 -6.889 1.00 0.00 O ATOM 548 CB ASP A 35 8.078 11.213 -3.803 1.00 0.00 C ATOM 549 CG ASP A 35 9.168 10.221 -3.447 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.289 9.195 -4.150 1.00 0.00 O ATOM 551 OD2 ASP A 35 9.901 10.470 -2.467 1.00 0.00 O ATOM 0 H ASP A 35 6.460 12.754 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 35 9.369 12.612 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.883 11.857 -2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.154 10.673 -4.012 1.00 0.00 H new ATOM 556 N PRO A 36 9.936 10.889 -6.566 1.00 0.00 N ATOM 557 CA PRO A 36 10.273 10.048 -7.718 1.00 0.00 C ATOM 558 C PRO A 36 9.837 8.599 -7.524 1.00 0.00 C ATOM 559 O PRO A 36 9.223 8.001 -8.407 1.00 0.00 O ATOM 560 CB PRO A 36 11.798 10.141 -7.801 1.00 0.00 C ATOM 561 CG PRO A 36 12.234 10.488 -6.420 1.00 0.00 C ATOM 562 CD PRO A 36 11.141 11.343 -5.844 1.00 0.00 C ATOM 0 HA PRO A 36 9.766 10.380 -8.624 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.235 9.197 -8.128 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.109 10.902 -8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.384 9.590 -5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.183 11.024 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.043 11.199 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.332 12.404 -6.008 1.00 0.00 H new ATOM 570 N THR A 37 10.160 8.040 -6.361 1.00 0.00 N ATOM 571 CA THR A 37 9.807 6.667 -6.047 1.00 0.00 C ATOM 572 C THR A 37 8.307 6.443 -6.196 1.00 0.00 C ATOM 573 O THR A 37 7.861 5.347 -6.538 1.00 0.00 O ATOM 574 CB THR A 37 10.248 6.317 -4.625 1.00 0.00 C ATOM 575 OG1 THR A 37 11.638 6.535 -4.462 1.00 0.00 O ATOM 576 CG2 THR A 37 9.961 4.881 -4.244 1.00 0.00 C ATOM 0 H THR A 37 10.668 8.523 -5.620 1.00 0.00 H new ATOM 0 HA THR A 37 10.325 6.016 -6.751 1.00 0.00 H new ATOM 0 HB THR A 37 9.667 6.971 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.933 6.143 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.299 4.701 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.889 4.694 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.488 4.212 -4.924 1.00 0.00 H new ATOM 584 N CYS A 38 7.533 7.491 -5.937 1.00 0.00 N ATOM 585 CA CYS A 38 6.081 7.415 -6.041 1.00 0.00 C ATOM 586 C CYS A 38 5.639 7.420 -7.501 1.00 0.00 C ATOM 587 O CYS A 38 4.677 6.749 -7.872 1.00 0.00 O ATOM 588 CB CYS A 38 5.433 8.584 -5.296 1.00 0.00 C ATOM 589 SG CYS A 38 3.625 8.555 -5.308 1.00 0.00 S ATOM 0 H CYS A 38 7.888 8.404 -5.653 1.00 0.00 H new ATOM 0 HA CYS A 38 5.758 6.479 -5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.779 8.579 -4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.774 9.519 -5.742 1.00 0.00 H new ATOM 0 HG CYS A 38 3.170 9.581 -4.652 1.00 0.00 H new ATOM 595 N MET A 39 6.351 8.182 -8.326 1.00 0.00 N ATOM 596 CA MET A 39 6.034 8.275 -9.746 1.00 0.00 C ATOM 597 C MET A 39 6.129 6.906 -10.414 1.00 0.00 C ATOM 598 O MET A 39 5.300 6.557 -11.256 1.00 0.00 O ATOM 599 CB MET A 39 6.976 9.264 -10.437 1.00 0.00 C ATOM 600 CG MET A 39 6.253 10.369 -11.190 1.00 0.00 C ATOM 601 SD MET A 39 7.087 10.827 -12.720 1.00 0.00 S ATOM 602 CE MET A 39 8.762 11.069 -12.134 1.00 0.00 C ATOM 0 H MET A 39 7.151 8.744 -8.035 1.00 0.00 H new ATOM 0 HA MET A 39 5.010 8.635 -9.843 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.630 9.713 -9.689 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.614 8.719 -11.133 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.238 10.044 -11.417 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.171 11.247 -10.549 1.00 0.00 H new ATOM 0 HE1 MET A 39 9.302 11.711 -12.830 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.739 11.539 -11.151 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.266 10.105 -12.064 1.00 0.00 H new ATOM 612 N LYS A 40 7.143 6.137 -10.033 1.00 0.00 N ATOM 613 CA LYS A 40 7.346 4.806 -10.595 1.00 0.00 C ATOM 614 C LYS A 40 6.259 3.845 -10.124 1.00 0.00 C ATOM 615 O LYS A 40 5.631 3.159 -10.930 1.00 0.00 O ATOM 616 CB LYS A 40 8.724 4.269 -10.202 1.00 0.00 C ATOM 617 CG LYS A 40 9.857 5.247 -10.467 1.00 0.00 C ATOM 618 CD LYS A 40 11.122 4.527 -10.904 1.00 0.00 C ATOM 619 CE LYS A 40 11.282 4.547 -12.415 1.00 0.00 C ATOM 620 NZ LYS A 40 11.769 5.867 -12.905 1.00 0.00 N ATOM 0 H LYS A 40 7.837 6.412 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 40 7.290 4.884 -11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.716 4.013 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.915 3.347 -10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.555 5.955 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.059 5.825 -9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.988 4.998 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.094 3.495 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.982 3.767 -12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.326 4.316 -12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.865 5.839 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.089 6.608 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.694 6.077 -12.477 1.00 0.00 H new ATOM 634 N MET A 41 6.040 3.803 -8.813 1.00 0.00 N ATOM 635 CA MET A 41 5.028 2.927 -8.234 1.00 0.00 C ATOM 636 C MET A 41 3.648 3.244 -8.799 1.00 0.00 C ATOM 637 O MET A 41 2.902 2.344 -9.184 1.00 0.00 O ATOM 638 CB MET A 41 5.015 3.067 -6.711 1.00 0.00 C ATOM 639 CG MET A 41 6.318 2.648 -6.049 1.00 0.00 C ATOM 640 SD MET A 41 6.680 0.896 -6.273 1.00 0.00 S ATOM 641 CE MET A 41 7.692 0.945 -7.751 1.00 0.00 C ATOM 0 H MET A 41 6.550 4.366 -8.132 1.00 0.00 H new ATOM 0 HA MET A 41 5.279 1.899 -8.495 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.803 4.104 -6.452 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.202 2.465 -6.306 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.136 3.239 -6.460 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.268 2.871 -4.983 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.226 0.343 -8.531 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.785 1.975 -8.094 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.682 0.547 -7.528 1.00 0.00 H new ATOM 651 N ASP A 42 3.315 4.531 -8.844 1.00 0.00 N ATOM 652 CA ASP A 42 2.023 4.969 -9.363 1.00 0.00 C ATOM 653 C ASP A 42 1.831 4.505 -10.804 1.00 0.00 C ATOM 654 O ASP A 42 0.733 4.110 -11.199 1.00 0.00 O ATOM 655 CB ASP A 42 1.908 6.492 -9.285 1.00 0.00 C ATOM 656 CG ASP A 42 0.482 6.954 -9.064 1.00 0.00 C ATOM 657 OD1 ASP A 42 -0.068 6.680 -7.977 1.00 0.00 O ATOM 658 OD2 ASP A 42 -0.085 7.589 -9.978 1.00 0.00 O ATOM 0 H ASP A 42 3.921 5.288 -8.528 1.00 0.00 H new ATOM 0 HA ASP A 42 1.242 4.522 -8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.536 6.860 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.290 6.930 -10.207 1.00 0.00 H new ATOM 663 N GLU A 43 2.906 4.554 -11.586 1.00 0.00 N ATOM 664 CA GLU A 43 2.856 4.136 -12.982 1.00 0.00 C ATOM 665 C GLU A 43 2.398 2.686 -13.092 1.00 0.00 C ATOM 666 O GLU A 43 1.638 2.329 -13.994 1.00 0.00 O ATOM 667 CB GLU A 43 4.228 4.301 -13.637 1.00 0.00 C ATOM 668 CG GLU A 43 4.456 5.683 -14.230 1.00 0.00 C ATOM 669 CD GLU A 43 3.849 5.830 -15.612 1.00 0.00 C ATOM 670 OE1 GLU A 43 3.989 4.893 -16.425 1.00 0.00 O ATOM 671 OE2 GLU A 43 3.235 6.885 -15.880 1.00 0.00 O ATOM 0 H GLU A 43 3.822 4.879 -11.276 1.00 0.00 H new ATOM 0 HA GLU A 43 2.138 4.770 -13.502 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.002 4.100 -12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.338 3.554 -14.423 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.027 6.434 -13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.527 5.879 -14.284 1.00 0.00 H new ATOM 678 N VAL A 44 2.861 1.856 -12.164 1.00 0.00 N ATOM 679 CA VAL A 44 2.498 0.444 -12.148 1.00 0.00 C ATOM 680 C VAL A 44 1.063 0.262 -11.664 1.00 0.00 C ATOM 681 O VAL A 44 0.320 -0.566 -12.188 1.00 0.00 O ATOM 682 CB VAL A 44 3.435 -0.370 -11.237 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.255 -1.858 -11.489 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.883 0.043 -11.450 1.00 0.00 C ATOM 0 H VAL A 44 3.490 2.137 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 44 2.593 0.079 -13.171 1.00 0.00 H new ATOM 0 HB VAL A 44 3.175 -0.163 -10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.924 -2.421 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.223 -2.140 -11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.489 -2.082 -12.530 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.529 -0.544 -10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.162 -0.132 -12.489 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.997 1.102 -11.217 1.00 0.00 H new ATOM 694 N LEU A 45 0.686 1.044 -10.656 1.00 0.00 N ATOM 695 CA LEU A 45 -0.657 0.982 -10.083 1.00 0.00 C ATOM 696 C LEU A 45 -1.728 1.010 -11.171 1.00 0.00 C ATOM 697 O LEU A 45 -2.647 0.191 -11.170 1.00 0.00 O ATOM 698 CB LEU A 45 -0.868 2.145 -9.112 1.00 0.00 C ATOM 699 CG LEU A 45 -1.011 1.743 -7.643 1.00 0.00 C ATOM 700 CD1 LEU A 45 -2.227 0.852 -7.451 1.00 0.00 C ATOM 701 CD2 LEU A 45 0.249 1.042 -7.159 1.00 0.00 C ATOM 0 H LEU A 45 1.296 1.733 -10.216 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.748 0.039 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.028 2.833 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.762 2.692 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.151 2.646 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.313 0.576 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.124 1.389 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.117 -0.049 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.131 0.763 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.419 0.146 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.101 1.714 -7.261 1.00 0.00 H new ATOM 713 N TYR A 46 -1.609 1.960 -12.091 1.00 0.00 N ATOM 714 CA TYR A 46 -2.570 2.097 -13.181 1.00 0.00 C ATOM 715 C TYR A 46 -2.720 0.790 -13.955 1.00 0.00 C ATOM 716 O TYR A 46 -3.795 0.481 -14.469 1.00 0.00 O ATOM 717 CB TYR A 46 -2.141 3.218 -14.129 1.00 0.00 C ATOM 718 CG TYR A 46 -2.436 4.604 -13.602 1.00 0.00 C ATOM 719 CD1 TYR A 46 -3.708 5.152 -13.707 1.00 0.00 C ATOM 720 CD2 TYR A 46 -1.442 5.365 -13.000 1.00 0.00 C ATOM 721 CE1 TYR A 46 -3.982 6.419 -13.227 1.00 0.00 C ATOM 722 CE2 TYR A 46 -1.707 6.633 -12.517 1.00 0.00 C ATOM 723 CZ TYR A 46 -2.978 7.154 -12.633 1.00 0.00 C ATOM 724 OH TYR A 46 -3.247 8.416 -12.154 1.00 0.00 O ATOM 0 H TYR A 46 -0.856 2.648 -12.105 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.537 2.347 -12.744 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.071 3.131 -14.320 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.647 3.087 -15.085 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.496 4.578 -14.172 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.445 4.959 -12.908 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.976 6.831 -13.317 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.923 7.212 -12.052 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.433 8.798 -11.765 1.00 0.00 H new ATOM 734 N SER A 47 -1.632 0.031 -14.041 1.00 0.00 N ATOM 735 CA SER A 47 -1.643 -1.239 -14.760 1.00 0.00 C ATOM 736 C SER A 47 -2.019 -2.398 -13.838 1.00 0.00 C ATOM 737 O SER A 47 -2.518 -3.427 -14.295 1.00 0.00 O ATOM 738 CB SER A 47 -0.274 -1.502 -15.389 1.00 0.00 C ATOM 739 OG SER A 47 -0.405 -2.117 -16.659 1.00 0.00 O ATOM 0 H SER A 47 -0.733 0.272 -13.623 1.00 0.00 H new ATOM 0 HA SER A 47 -2.396 -1.170 -15.545 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.269 -0.563 -15.491 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.315 -2.141 -14.731 1.00 0.00 H new ATOM 0 HG SER A 47 0.484 -2.273 -17.040 1.00 0.00 H new ATOM 745 N ILE A 48 -1.772 -2.230 -12.542 1.00 0.00 N ATOM 746 CA ILE A 48 -2.082 -3.270 -11.566 1.00 0.00 C ATOM 747 C ILE A 48 -3.128 -2.799 -10.559 1.00 0.00 C ATOM 748 O ILE A 48 -3.097 -3.186 -9.392 1.00 0.00 O ATOM 749 CB ILE A 48 -0.817 -3.718 -10.807 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.219 -2.548 -10.022 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.206 -4.288 -11.780 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.579 -2.558 -8.553 1.00 0.00 C ATOM 0 H ILE A 48 -1.359 -1.386 -12.144 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.484 -4.115 -12.125 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.094 -4.498 -10.098 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.866 -2.571 -10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.560 -1.612 -10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.095 -4.601 -11.232 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.222 -5.147 -12.297 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.479 -3.525 -12.509 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.121 -1.700 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.662 -2.503 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.214 -3.477 -8.095 1.00 0.00 H new ATOM 764 N ALA A 49 -4.053 -1.963 -11.017 1.00 0.00 N ATOM 765 CA ALA A 49 -5.106 -1.444 -10.151 1.00 0.00 C ATOM 766 C ALA A 49 -6.433 -2.153 -10.411 1.00 0.00 C ATOM 767 O ALA A 49 -6.802 -3.081 -9.692 1.00 0.00 O ATOM 768 CB ALA A 49 -5.255 0.058 -10.342 1.00 0.00 C ATOM 0 H ALA A 49 -4.096 -1.631 -11.980 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.821 -1.638 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.044 0.431 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.315 0.551 -10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.512 0.269 -11.380 1.00 0.00 H new ATOM 774 N GLU A 50 -7.148 -1.708 -11.442 1.00 0.00 N ATOM 775 CA GLU A 50 -8.433 -2.292 -11.796 1.00 0.00 C ATOM 776 C GLU A 50 -8.331 -3.808 -11.958 1.00 0.00 C ATOM 777 O GLU A 50 -9.323 -4.524 -11.816 1.00 0.00 O ATOM 778 CB GLU A 50 -8.960 -1.667 -13.089 1.00 0.00 C ATOM 779 CG GLU A 50 -10.371 -2.106 -13.445 1.00 0.00 C ATOM 780 CD GLU A 50 -11.415 -1.074 -13.066 1.00 0.00 C ATOM 781 OE1 GLU A 50 -11.139 -0.253 -12.166 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.509 -1.086 -13.669 1.00 0.00 O ATOM 0 H GLU A 50 -6.855 -0.941 -12.047 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.128 -2.083 -10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.939 -0.581 -12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.290 -1.927 -13.908 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.428 -2.299 -14.516 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.594 -3.046 -12.939 1.00 0.00 H new ATOM 789 N LYS A 51 -7.128 -4.290 -12.260 1.00 0.00 N ATOM 790 CA LYS A 51 -6.897 -5.720 -12.447 1.00 0.00 C ATOM 791 C LYS A 51 -7.471 -6.537 -11.291 1.00 0.00 C ATOM 792 O LYS A 51 -7.941 -7.657 -11.487 1.00 0.00 O ATOM 793 CB LYS A 51 -5.399 -5.999 -12.585 1.00 0.00 C ATOM 794 CG LYS A 51 -4.887 -5.880 -14.011 1.00 0.00 C ATOM 795 CD LYS A 51 -3.447 -6.349 -14.127 1.00 0.00 C ATOM 796 CE LYS A 51 -3.064 -6.623 -15.572 1.00 0.00 C ATOM 797 NZ LYS A 51 -2.729 -5.371 -16.306 1.00 0.00 N ATOM 0 H LYS A 51 -6.297 -3.711 -12.381 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.409 -6.021 -13.361 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.849 -5.304 -11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.189 -7.003 -12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.518 -6.471 -14.675 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.961 -4.843 -14.340 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.782 -5.592 -13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.309 -7.254 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.209 -7.299 -15.599 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.887 -7.130 -16.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.481 -5.160 -16.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.646 -4.584 -15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.826 -5.494 -16.807 1.00 0.00 H new ATOM 811 N VAL A 52 -7.428 -5.973 -10.087 1.00 0.00 N ATOM 812 CA VAL A 52 -7.943 -6.663 -8.908 1.00 0.00 C ATOM 813 C VAL A 52 -8.493 -5.677 -7.879 1.00 0.00 C ATOM 814 O VAL A 52 -8.614 -6.005 -6.698 1.00 0.00 O ATOM 815 CB VAL A 52 -6.853 -7.527 -8.239 1.00 0.00 C ATOM 816 CG1 VAL A 52 -7.484 -8.591 -7.353 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.951 -8.167 -9.286 1.00 0.00 C ATOM 0 H VAL A 52 -7.044 -5.046 -9.902 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.751 -7.308 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.240 -6.878 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.700 -9.190 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.081 -8.111 -6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.124 -9.235 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.191 -8.771 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.548 -8.801 -9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.468 -7.388 -9.876 1.00 0.00 H new ATOM 827 N LYS A 53 -8.822 -4.470 -8.328 1.00 0.00 N ATOM 828 CA LYS A 53 -9.354 -3.443 -7.446 1.00 0.00 C ATOM 829 C LYS A 53 -10.585 -3.940 -6.691 1.00 0.00 C ATOM 830 O LYS A 53 -10.857 -3.506 -5.572 1.00 0.00 O ATOM 831 CB LYS A 53 -9.705 -2.186 -8.246 1.00 0.00 C ATOM 832 CG LYS A 53 -10.864 -2.379 -9.211 1.00 0.00 C ATOM 833 CD LYS A 53 -12.205 -2.199 -8.517 1.00 0.00 C ATOM 834 CE LYS A 53 -13.178 -1.412 -9.382 1.00 0.00 C ATOM 835 NZ LYS A 53 -12.714 -0.017 -9.611 1.00 0.00 N ATOM 0 H LYS A 53 -8.728 -4.181 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.583 -3.201 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.951 -1.382 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.827 -1.866 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.779 -1.665 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.811 -3.376 -9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.630 -3.176 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.059 -1.682 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.301 -1.916 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.157 -1.395 -8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.537 0.610 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.139 0.295 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.141 0.020 -10.478 1.00 0.00 H new ATOM 849 N ASN A 54 -11.329 -4.848 -7.315 1.00 0.00 N ATOM 850 CA ASN A 54 -12.536 -5.400 -6.709 1.00 0.00 C ATOM 851 C ASN A 54 -12.225 -6.122 -5.398 1.00 0.00 C ATOM 852 O ASN A 54 -13.106 -6.307 -4.560 1.00 0.00 O ATOM 853 CB ASN A 54 -13.222 -6.362 -7.680 1.00 0.00 C ATOM 854 CG ASN A 54 -14.133 -5.646 -8.657 1.00 0.00 C ATOM 855 OD1 ASN A 54 -15.040 -4.915 -8.257 1.00 0.00 O ATOM 856 ND2 ASN A 54 -13.896 -5.852 -9.947 1.00 0.00 N ATOM 0 H ASN A 54 -11.117 -5.218 -8.242 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.205 -4.569 -6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.464 -6.916 -8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.802 -7.092 -7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.476 -5.396 -10.651 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.134 -6.466 -10.234 1.00 0.00 H new ATOM 863 N PHE A 55 -10.972 -6.531 -5.228 1.00 0.00 N ATOM 864 CA PHE A 55 -10.558 -7.235 -4.018 1.00 0.00 C ATOM 865 C PHE A 55 -9.711 -6.336 -3.127 1.00 0.00 C ATOM 866 O PHE A 55 -9.952 -6.222 -1.925 1.00 0.00 O ATOM 867 CB PHE A 55 -9.775 -8.498 -4.380 1.00 0.00 C ATOM 868 CG PHE A 55 -10.417 -9.314 -5.468 1.00 0.00 C ATOM 869 CD1 PHE A 55 -10.410 -8.871 -6.781 1.00 0.00 C ATOM 870 CD2 PHE A 55 -11.026 -10.525 -5.177 1.00 0.00 C ATOM 871 CE1 PHE A 55 -11.000 -9.620 -7.782 1.00 0.00 C ATOM 872 CE2 PHE A 55 -11.617 -11.276 -6.174 1.00 0.00 C ATOM 873 CZ PHE A 55 -11.604 -10.823 -7.478 1.00 0.00 C ATOM 0 H PHE A 55 -10.227 -6.388 -5.910 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.456 -7.517 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.771 -8.215 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.668 -9.117 -3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.939 -7.930 -7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.038 -10.885 -4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.988 -9.264 -8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.089 -12.217 -5.934 1.00 0.00 H new ATOM 0 HZ PHE A 55 -12.066 -11.409 -8.259 1.00 0.00 H new ATOM 883 N ALA A 56 -8.717 -5.703 -3.727 1.00 0.00 N ATOM 884 CA ALA A 56 -7.824 -4.812 -2.998 1.00 0.00 C ATOM 885 C ALA A 56 -8.192 -3.352 -3.228 1.00 0.00 C ATOM 886 O ALA A 56 -8.787 -3.003 -4.248 1.00 0.00 O ATOM 887 CB ALA A 56 -6.382 -5.063 -3.408 1.00 0.00 C ATOM 0 H ALA A 56 -8.506 -5.789 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.933 -5.022 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.725 -4.391 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.115 -6.096 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.271 -4.882 -4.477 1.00 0.00 H new ATOM 893 N VAL A 57 -7.831 -2.501 -2.272 1.00 0.00 N ATOM 894 CA VAL A 57 -8.120 -1.077 -2.368 1.00 0.00 C ATOM 895 C VAL A 57 -6.923 -0.247 -1.911 1.00 0.00 C ATOM 896 O VAL A 57 -6.730 -0.018 -0.717 1.00 0.00 O ATOM 897 CB VAL A 57 -9.360 -0.701 -1.531 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.150 -1.062 -0.069 1.00 0.00 C ATOM 899 CG2 VAL A 57 -9.689 0.778 -1.684 1.00 0.00 C ATOM 0 H VAL A 57 -7.338 -2.775 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.326 -0.857 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.209 -1.274 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.036 -0.789 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.977 -2.135 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.286 -0.522 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.567 1.019 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.843 1.376 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.893 0.999 -2.732 1.00 0.00 H new ATOM 909 N ILE A 58 -6.120 0.197 -2.871 1.00 0.00 N ATOM 910 CA ILE A 58 -4.937 0.998 -2.574 1.00 0.00 C ATOM 911 C ILE A 58 -5.315 2.443 -2.255 1.00 0.00 C ATOM 912 O ILE A 58 -6.420 2.888 -2.569 1.00 0.00 O ATOM 913 CB ILE A 58 -3.943 0.978 -3.756 1.00 0.00 C ATOM 914 CG1 ILE A 58 -2.641 1.685 -3.375 1.00 0.00 C ATOM 915 CG2 ILE A 58 -4.563 1.622 -4.987 1.00 0.00 C ATOM 916 CD1 ILE A 58 -1.463 1.288 -4.237 1.00 0.00 C ATOM 0 H ILE A 58 -6.267 0.016 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.460 0.556 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.712 -0.060 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.787 2.763 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.409 1.465 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.848 1.599 -5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.461 1.073 -5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.825 2.656 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.574 1.828 -3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.290 0.216 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.674 1.534 -5.278 1.00 0.00 H new ATOM 928 N TYR A 59 -4.390 3.173 -1.638 1.00 0.00 N ATOM 929 CA TYR A 59 -4.616 4.557 -1.286 1.00 0.00 C ATOM 930 C TYR A 59 -3.295 5.282 -1.049 1.00 0.00 C ATOM 931 O TYR A 59 -2.512 4.897 -0.180 1.00 0.00 O ATOM 932 CB TYR A 59 -5.504 4.666 -0.046 1.00 0.00 C ATOM 933 CG TYR A 59 -6.950 4.298 -0.293 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.701 4.961 -1.256 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.564 3.290 0.440 1.00 0.00 C ATOM 936 CE1 TYR A 59 -9.023 4.629 -1.482 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.887 2.952 0.218 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.610 3.625 -0.743 1.00 0.00 C ATOM 939 OH TYR A 59 -10.928 3.290 -0.966 1.00 0.00 O ATOM 0 H TYR A 59 -3.471 2.818 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.127 5.033 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.103 4.019 0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.459 5.687 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.244 5.748 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.000 2.762 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.593 5.154 -2.234 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.351 2.165 0.795 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.155 3.462 -1.904 1.00 0.00 H new ATOM 949 N LEU A 60 -3.055 6.332 -1.827 1.00 0.00 N ATOM 950 CA LEU A 60 -1.827 7.112 -1.703 1.00 0.00 C ATOM 951 C LEU A 60 -1.861 7.984 -0.452 1.00 0.00 C ATOM 952 O LEU A 60 -2.929 8.386 0.008 1.00 0.00 O ATOM 953 CB LEU A 60 -1.627 7.984 -2.943 1.00 0.00 C ATOM 954 CG LEU A 60 -0.985 7.276 -4.137 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.386 6.735 -3.763 1.00 0.00 C ATOM 956 CD2 LEU A 60 -1.885 6.155 -4.636 1.00 0.00 C ATOM 0 H LEU A 60 -3.694 6.663 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.991 6.418 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.596 8.378 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.008 8.839 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.859 8.001 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.827 6.235 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.030 7.558 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.285 6.024 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.414 5.661 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.041 5.431 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.845 6.569 -4.944 1.00 0.00 H new ATOM 968 N VAL A 61 -0.684 8.272 0.092 1.00 0.00 N ATOM 969 CA VAL A 61 -0.576 9.097 1.290 1.00 0.00 C ATOM 970 C VAL A 61 0.758 9.835 1.330 1.00 0.00 C ATOM 971 O VAL A 61 1.802 9.267 1.007 1.00 0.00 O ATOM 972 CB VAL A 61 -0.720 8.252 2.570 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.823 9.149 3.793 1.00 0.00 C ATOM 974 CG2 VAL A 61 -1.926 7.331 2.470 1.00 0.00 C ATOM 0 H VAL A 61 0.209 7.946 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.389 9.822 1.249 1.00 0.00 H new ATOM 0 HB VAL A 61 0.171 7.633 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.924 8.534 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.076 9.760 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.695 9.796 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.011 6.742 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.829 7.927 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.804 6.663 1.618 1.00 0.00 H new ATOM 984 N ASP A 62 0.718 11.103 1.728 1.00 0.00 N ATOM 985 CA ASP A 62 1.925 11.916 1.809 1.00 0.00 C ATOM 986 C ASP A 62 2.344 12.122 3.262 1.00 0.00 C ATOM 987 O ASP A 62 1.506 12.363 4.132 1.00 0.00 O ATOM 988 CB ASP A 62 1.699 13.269 1.129 1.00 0.00 C ATOM 989 CG ASP A 62 2.449 13.388 -0.183 1.00 0.00 C ATOM 990 OD1 ASP A 62 2.700 12.343 -0.820 1.00 0.00 O ATOM 991 OD2 ASP A 62 2.784 14.526 -0.574 1.00 0.00 O ATOM 0 H ASP A 62 -0.137 11.589 1.999 1.00 0.00 H new ATOM 0 HA ASP A 62 2.727 11.389 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.633 13.409 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.016 14.067 1.800 1.00 0.00 H new ATOM 996 N ILE A 63 3.646 12.027 3.516 1.00 0.00 N ATOM 997 CA ILE A 63 4.183 12.201 4.861 1.00 0.00 C ATOM 998 C ILE A 63 4.254 13.679 5.238 1.00 0.00 C ATOM 999 O ILE A 63 5.315 14.194 5.592 1.00 0.00 O ATOM 1000 CB ILE A 63 5.587 11.577 4.993 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.609 10.177 4.376 1.00 0.00 C ATOM 1002 CG2 ILE A 63 6.007 11.523 6.454 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.961 9.502 4.457 1.00 0.00 C ATOM 0 H ILE A 63 4.350 11.830 2.805 1.00 0.00 H new ATOM 0 HA ILE A 63 3.503 11.688 5.542 1.00 0.00 H new ATOM 0 HB ILE A 63 6.297 12.202 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.870 9.555 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.308 10.245 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.000 11.080 6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.027 12.533 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.295 10.917 7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.902 8.514 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.700 10.103 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.256 9.402 5.502 1.00 0.00 H new ATOM 1015 N THR A 64 3.114 14.351 5.158 1.00 0.00 N ATOM 1016 CA THR A 64 3.030 15.767 5.489 1.00 0.00 C ATOM 1017 C THR A 64 1.592 16.156 5.810 1.00 0.00 C ATOM 1018 O THR A 64 1.329 16.855 6.788 1.00 0.00 O ATOM 1019 CB THR A 64 3.556 16.618 4.331 1.00 0.00 C ATOM 1020 OG1 THR A 64 4.877 16.236 3.988 1.00 0.00 O ATOM 1021 CG2 THR A 64 3.571 18.099 4.635 1.00 0.00 C ATOM 0 H THR A 64 2.230 13.936 4.865 1.00 0.00 H new ATOM 0 HA THR A 64 3.647 15.950 6.369 1.00 0.00 H new ATOM 0 HB THR A 64 2.866 16.441 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.287 15.763 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.955 18.644 3.772 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.558 18.436 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.211 18.287 5.497 1.00 0.00 H new ATOM 1029 N GLU A 65 0.664 15.691 4.981 1.00 0.00 N ATOM 1030 CA GLU A 65 -0.752 15.982 5.175 1.00 0.00 C ATOM 1031 C GLU A 65 -1.412 14.919 6.048 1.00 0.00 C ATOM 1032 O GLU A 65 -2.383 15.198 6.752 1.00 0.00 O ATOM 1033 CB GLU A 65 -1.478 16.078 3.829 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.027 15.046 2.808 1.00 0.00 C ATOM 1035 CD GLU A 65 -0.028 15.610 1.817 1.00 0.00 C ATOM 1036 OE1 GLU A 65 0.966 16.224 2.260 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -0.239 15.438 0.598 1.00 0.00 O ATOM 0 H GLU A 65 0.867 15.110 4.167 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.826 16.944 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.549 15.964 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.324 17.075 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.581 14.197 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.896 14.669 2.269 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.882 13.699 6.000 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.429 12.602 6.792 1.00 0.00 C ATOM 1046 C VAL A 66 -0.887 12.632 8.223 1.00 0.00 C ATOM 1047 O VAL A 66 0.301 12.402 8.448 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.112 11.233 6.155 1.00 0.00 C ATOM 1049 CG1 VAL A 66 0.386 10.963 6.159 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.862 10.124 6.877 1.00 0.00 C ATOM 0 H VAL A 66 -0.079 13.447 5.424 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.510 12.736 6.816 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.445 11.255 5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.582 9.992 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.897 11.740 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.753 10.964 7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.627 9.165 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.563 10.105 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.935 10.306 6.809 1.00 0.00 H new ATOM 1060 N PRO A 67 -1.751 12.918 9.214 1.00 0.00 N ATOM 1061 CA PRO A 67 -1.344 12.976 10.620 1.00 0.00 C ATOM 1062 C PRO A 67 -1.115 11.591 11.217 1.00 0.00 C ATOM 1063 O PRO A 67 -1.774 11.202 12.183 1.00 0.00 O ATOM 1064 CB PRO A 67 -2.529 13.663 11.299 1.00 0.00 C ATOM 1065 CG PRO A 67 -3.702 13.304 10.456 1.00 0.00 C ATOM 1066 CD PRO A 67 -3.189 13.211 9.044 1.00 0.00 C ATOM 0 HA PRO A 67 -0.396 13.499 10.750 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.656 13.315 12.324 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.389 14.743 11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.136 12.357 10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.485 14.058 10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.695 12.424 8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.347 14.141 8.498 1.00 0.00 H new ATOM 1235 N ASP A 77 13.012 8.771 5.866 1.00 0.00 N ATOM 1236 CA ASP A 77 13.123 7.905 4.699 1.00 0.00 C ATOM 1237 C ASP A 77 12.466 8.546 3.478 1.00 0.00 C ATOM 1238 O ASP A 77 11.425 9.192 3.593 1.00 0.00 O ATOM 1239 CB ASP A 77 12.478 6.547 4.984 1.00 0.00 C ATOM 1240 CG ASP A 77 12.929 5.476 4.010 1.00 0.00 C ATOM 1241 OD1 ASP A 77 12.368 5.414 2.896 1.00 0.00 O ATOM 1242 OD2 ASP A 77 13.841 4.699 4.362 1.00 0.00 O ATOM 0 HA ASP A 77 14.182 7.761 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.724 6.237 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.394 6.646 4.935 1.00 0.00 H new ATOM 1247 N PRO A 78 13.067 8.376 2.286 1.00 0.00 N ATOM 1248 CA PRO A 78 12.529 8.945 1.044 1.00 0.00 C ATOM 1249 C PRO A 78 11.077 8.543 0.805 1.00 0.00 C ATOM 1250 O PRO A 78 10.188 9.392 0.756 1.00 0.00 O ATOM 1251 CB PRO A 78 13.432 8.356 -0.043 1.00 0.00 C ATOM 1252 CG PRO A 78 14.702 8.018 0.657 1.00 0.00 C ATOM 1253 CD PRO A 78 14.311 7.620 2.053 1.00 0.00 C ATOM 0 HA PRO A 78 12.524 10.035 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.982 7.472 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.602 9.073 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.222 7.205 0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.380 8.871 0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.150 6.545 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.083 7.882 2.777 1.00 0.00 H new ATOM 1261 N CYS A 79 10.846 7.243 0.654 1.00 0.00 N ATOM 1262 CA CYS A 79 9.503 6.728 0.418 1.00 0.00 C ATOM 1263 C CYS A 79 9.411 5.253 0.795 1.00 0.00 C ATOM 1264 O CYS A 79 10.425 4.605 1.058 1.00 0.00 O ATOM 1265 CB CYS A 79 9.113 6.915 -1.050 1.00 0.00 C ATOM 1266 SG CYS A 79 7.342 7.158 -1.319 1.00 0.00 S ATOM 0 H CYS A 79 11.572 6.527 0.691 1.00 0.00 H new ATOM 0 HA CYS A 79 8.811 7.289 1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.652 7.774 -1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.439 6.042 -1.615 1.00 0.00 H new ATOM 0 HG CYS A 79 6.733 7.219 -0.172 1.00 0.00 H new ATOM 1272 N THR A 80 8.190 4.727 0.818 1.00 0.00 N ATOM 1273 CA THR A 80 7.967 3.328 1.163 1.00 0.00 C ATOM 1274 C THR A 80 6.488 2.968 1.050 1.00 0.00 C ATOM 1275 O THR A 80 5.619 3.831 1.173 1.00 0.00 O ATOM 1276 CB THR A 80 8.466 3.043 2.581 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.341 1.666 2.890 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.720 3.822 3.644 1.00 0.00 C ATOM 0 H THR A 80 7.341 5.249 0.602 1.00 0.00 H new ATOM 0 HA THR A 80 8.527 2.713 0.458 1.00 0.00 H new ATOM 0 HB THR A 80 9.510 3.355 2.589 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.667 1.504 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.122 3.574 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.838 4.890 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.662 3.563 3.610 1.00 0.00 H new ATOM 1286 N VAL A 81 6.210 1.691 0.813 1.00 0.00 N ATOM 1287 CA VAL A 81 4.837 1.217 0.683 1.00 0.00 C ATOM 1288 C VAL A 81 4.485 0.239 1.799 1.00 0.00 C ATOM 1289 O VAL A 81 5.367 -0.353 2.420 1.00 0.00 O ATOM 1290 CB VAL A 81 4.608 0.530 -0.677 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.133 0.221 -0.878 1.00 0.00 C ATOM 1292 CG2 VAL A 81 5.140 1.396 -1.811 1.00 0.00 C ATOM 0 H VAL A 81 6.918 0.965 0.707 1.00 0.00 H new ATOM 0 HA VAL A 81 4.191 2.092 0.754 1.00 0.00 H new ATOM 0 HB VAL A 81 5.156 -0.412 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.991 -0.264 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.789 -0.443 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.560 1.148 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.969 0.894 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.623 2.356 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.209 1.559 -1.674 1.00 0.00 H new ATOM 1302 N MET A 82 3.189 0.073 2.047 1.00 0.00 N ATOM 1303 CA MET A 82 2.722 -0.834 3.089 1.00 0.00 C ATOM 1304 C MET A 82 1.336 -1.379 2.758 1.00 0.00 C ATOM 1305 O MET A 82 0.530 -0.706 2.117 1.00 0.00 O ATOM 1306 CB MET A 82 2.691 -0.118 4.441 1.00 0.00 C ATOM 1307 CG MET A 82 2.844 -1.055 5.629 1.00 0.00 C ATOM 1308 SD MET A 82 2.046 -0.424 7.117 1.00 0.00 S ATOM 1309 CE MET A 82 3.213 -0.944 8.374 1.00 0.00 C ATOM 0 H MET A 82 2.445 0.554 1.541 1.00 0.00 H new ATOM 0 HA MET A 82 3.418 -1.671 3.144 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.489 0.624 4.468 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.750 0.423 4.535 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.419 -2.027 5.378 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.904 -1.213 5.829 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.858 -0.626 9.354 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.306 -2.030 8.357 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.185 -0.493 8.177 1.00 0.00 H new ATOM 1319 N PHE A 83 1.067 -2.603 3.200 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.221 -3.242 2.953 1.00 0.00 C ATOM 1321 C PHE A 83 -0.957 -3.500 4.264 1.00 0.00 C ATOM 1322 O PHE A 83 -0.333 -3.724 5.302 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.024 -4.559 2.199 1.00 0.00 C ATOM 1324 CG PHE A 83 0.354 -4.377 0.756 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.467 -3.631 0.406 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.403 -4.958 -0.250 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.819 -3.465 -0.921 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.056 -4.795 -1.578 1.00 0.00 C ATOM 1329 CZ PHE A 83 1.055 -4.047 -1.914 1.00 0.00 C ATOM 0 H PHE A 83 1.725 -3.173 3.732 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.823 -2.569 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.751 -5.141 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.944 -5.140 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.067 -3.173 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.273 -5.544 0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.690 -2.881 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.654 -5.253 -2.353 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.326 -3.917 -2.951 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.284 -3.467 4.213 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.098 -3.697 5.402 1.00 0.00 C ATOM 1341 C PHE A 84 -4.178 -4.740 5.130 1.00 0.00 C ATOM 1342 O PHE A 84 -4.827 -4.719 4.085 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.739 -2.389 5.868 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.905 -1.634 6.863 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.936 -0.738 6.437 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.089 -1.820 8.224 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.168 -0.042 7.351 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.323 -1.127 9.142 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.361 -0.236 8.705 1.00 0.00 C ATOM 0 H PHE A 84 -2.818 -3.284 3.364 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.446 -4.074 6.190 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.920 -1.753 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.710 -2.608 6.312 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.780 -0.583 5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.840 -2.515 8.571 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.417 0.654 7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.476 -1.281 10.200 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.762 0.307 9.420 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.364 -5.651 6.081 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.364 -6.702 5.949 1.00 0.00 C ATOM 1361 C PHE A 85 -5.942 -7.073 7.310 1.00 0.00 C ATOM 1362 O PHE A 85 -5.253 -7.004 8.328 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.749 -7.938 5.291 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.729 -9.057 5.081 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.959 -8.816 4.490 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.420 -10.349 5.475 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.862 -9.844 4.295 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.319 -11.380 5.283 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.542 -11.128 4.693 1.00 0.00 C ATOM 0 H PHE A 85 -3.834 -5.681 6.952 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.171 -6.327 5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.323 -7.653 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.927 -8.298 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.215 -7.814 4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.465 -10.552 5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.817 -9.644 3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.066 -12.383 5.594 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.247 -11.933 4.543 1.00 0.00 H new ATOM 1379 N ARG A 86 -7.212 -7.465 7.321 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.886 -7.847 8.559 1.00 0.00 C ATOM 1381 C ARG A 86 -7.748 -6.755 9.616 1.00 0.00 C ATOM 1382 O ARG A 86 -7.716 -7.036 10.814 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.313 -9.164 9.089 1.00 0.00 C ATOM 1384 CG ARG A 86 -8.096 -10.390 8.647 1.00 0.00 C ATOM 1385 CD ARG A 86 -9.485 -10.416 9.264 1.00 0.00 C ATOM 1386 NE ARG A 86 -9.834 -11.742 9.769 1.00 0.00 N ATOM 1387 CZ ARG A 86 -10.871 -11.982 10.568 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -11.663 -10.990 10.955 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -11.118 -13.217 10.982 1.00 0.00 N ATOM 0 H ARG A 86 -7.796 -7.527 6.487 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.945 -7.981 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.280 -9.262 8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.293 -9.129 10.178 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.179 -10.398 7.560 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.553 -11.292 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.534 -9.693 10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.219 -10.107 8.519 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.248 -12.530 9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.478 -10.038 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.456 -11.180 11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.513 -13.984 10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.913 -13.400 11.594 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.664 -5.508 9.162 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.528 -4.371 10.066 1.00 0.00 C ATOM 1405 C ASN A 87 -6.215 -4.448 10.839 1.00 0.00 C ATOM 1406 O ASN A 87 -6.132 -4.009 11.986 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.706 -4.320 11.041 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.962 -2.921 11.565 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -8.947 -1.950 10.809 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -9.200 -2.812 12.866 1.00 0.00 N ATOM 0 H ASN A 87 -7.688 -5.259 8.173 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.525 -3.461 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.603 -4.688 10.543 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.510 -4.989 11.879 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.380 -1.896 13.276 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.203 -3.644 13.455 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.191 -5.007 10.201 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.881 -5.141 10.828 1.00 0.00 C ATOM 1419 C LYS A 88 -2.784 -4.614 9.909 1.00 0.00 C ATOM 1420 O LYS A 88 -2.949 -4.572 8.690 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.608 -6.605 11.179 1.00 0.00 C ATOM 1422 CG LYS A 88 -4.538 -7.158 12.246 1.00 0.00 C ATOM 1423 CD LYS A 88 -3.828 -8.163 13.139 1.00 0.00 C ATOM 1424 CE LYS A 88 -4.396 -8.155 14.549 1.00 0.00 C ATOM 1425 NZ LYS A 88 -3.909 -6.991 15.338 1.00 0.00 N ATOM 0 H LYS A 88 -5.243 -5.374 9.251 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.881 -4.549 11.743 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.703 -7.210 10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.578 -6.702 11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.924 -6.339 12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.396 -7.634 11.771 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.924 -9.162 12.713 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.763 -7.932 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.485 -8.131 14.501 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.119 -9.079 15.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.320 -7.023 16.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.872 -7.027 15.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.195 -6.109 14.868 1.00 0.00 H new ATOM 1439 N HIS A 89 -1.664 -4.212 10.503 1.00 0.00 N ATOM 1440 CA HIS A 89 -0.541 -3.686 9.736 1.00 0.00 C ATOM 1441 C HIS A 89 0.378 -4.812 9.275 1.00 0.00 C ATOM 1442 O HIS A 89 0.994 -5.498 10.090 1.00 0.00 O ATOM 1443 CB HIS A 89 0.248 -2.679 10.575 1.00 0.00 C ATOM 1444 CG HIS A 89 0.615 -3.190 11.934 1.00 0.00 C ATOM 1445 ND1 HIS A 89 -0.141 -2.940 13.060 1.00 0.00 N ATOM 1446 CD2 HIS A 89 1.665 -3.940 12.345 1.00 0.00 C ATOM 1447 CE1 HIS A 89 0.428 -3.515 14.106 1.00 0.00 C ATOM 1448 NE2 HIS A 89 1.524 -4.129 13.698 1.00 0.00 N ATOM 0 H HIS A 89 -1.511 -4.241 11.511 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.939 -3.183 8.855 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.158 -2.407 10.040 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -0.342 -1.769 10.685 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.464 -4.319 11.725 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.059 -3.487 15.121 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.163 -4.658 14.292 1.00 0.00 H new ATOM 1457 N ILE A 90 0.467 -4.996 7.961 1.00 0.00 N ATOM 1458 CA ILE A 90 1.311 -6.038 7.390 1.00 0.00 C ATOM 1459 C ILE A 90 2.375 -5.443 6.474 1.00 0.00 C ATOM 1460 O ILE A 90 2.077 -4.607 5.622 1.00 0.00 O ATOM 1461 CB ILE A 90 0.481 -7.062 6.594 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -0.724 -7.525 7.416 1.00 0.00 C ATOM 1463 CG2 ILE A 90 1.347 -8.249 6.194 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -1.596 -8.532 6.697 1.00 0.00 C ATOM 0 H ILE A 90 -0.036 -4.436 7.272 1.00 0.00 H new ATOM 0 HA ILE A 90 1.795 -6.544 8.225 1.00 0.00 H new ATOM 0 HB ILE A 90 0.114 -6.584 5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.370 -7.964 8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.328 -6.657 7.681 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.747 -8.964 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.174 -7.903 5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.741 -8.730 7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.430 -8.815 7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.980 -8.090 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.007 -9.417 6.456 1.00 0.00 H new ATOM 1476 N MET A 91 3.617 -5.876 6.659 1.00 0.00 N ATOM 1477 CA MET A 91 4.726 -5.385 5.849 1.00 0.00 C ATOM 1478 C MET A 91 4.805 -6.133 4.522 1.00 0.00 C ATOM 1479 O MET A 91 5.288 -7.263 4.462 1.00 0.00 O ATOM 1480 CB MET A 91 6.045 -5.533 6.611 1.00 0.00 C ATOM 1481 CG MET A 91 6.389 -6.971 6.959 1.00 0.00 C ATOM 1482 SD MET A 91 7.203 -7.121 8.562 1.00 0.00 S ATOM 1483 CE MET A 91 8.526 -5.929 8.382 1.00 0.00 C ATOM 0 H MET A 91 3.881 -6.566 7.362 1.00 0.00 H new ATOM 0 HA MET A 91 4.551 -4.330 5.640 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.851 -5.111 6.011 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.992 -4.949 7.530 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.477 -7.568 6.961 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.038 -7.383 6.186 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.285 -6.111 9.143 1.00 0.00 H new ATOM 0 HE2 MET A 91 8.973 -6.028 7.393 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.127 -4.922 8.501 1.00 0.00 H new ATOM 1493 N ILE A 92 4.330 -5.493 3.459 1.00 0.00 N ATOM 1494 CA ILE A 92 4.347 -6.096 2.132 1.00 0.00 C ATOM 1495 C ILE A 92 4.890 -5.120 1.093 1.00 0.00 C ATOM 1496 O ILE A 92 4.311 -4.059 0.861 1.00 0.00 O ATOM 1497 CB ILE A 92 2.940 -6.556 1.704 1.00 0.00 C ATOM 1498 CG1 ILE A 92 2.292 -7.387 2.812 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.013 -7.354 0.411 1.00 0.00 C ATOM 1500 CD1 ILE A 92 0.840 -7.720 2.547 1.00 0.00 C ATOM 0 H ILE A 92 3.928 -4.556 3.491 1.00 0.00 H new ATOM 0 HA ILE A 92 5.002 -6.965 2.188 1.00 0.00 H new ATOM 0 HB ILE A 92 2.324 -5.674 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.852 -8.314 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.366 -6.843 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.011 -7.672 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.438 -6.732 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.643 -8.231 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.445 -8.311 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.266 -6.798 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.761 -8.292 1.622 1.00 0.00 H new ATOM 1512 N ASP A 93 6.007 -5.486 0.473 1.00 0.00 N ATOM 1513 CA ASP A 93 6.632 -4.644 -0.540 1.00 0.00 C ATOM 1514 C ASP A 93 5.880 -4.732 -1.864 1.00 0.00 C ATOM 1515 O ASP A 93 5.384 -5.793 -2.238 1.00 0.00 O ATOM 1516 CB ASP A 93 8.093 -5.054 -0.742 1.00 0.00 C ATOM 1517 CG ASP A 93 8.248 -6.546 -0.965 1.00 0.00 C ATOM 1518 OD1 ASP A 93 7.873 -7.026 -2.055 1.00 0.00 O ATOM 1519 OD2 ASP A 93 8.746 -7.234 -0.048 1.00 0.00 O ATOM 0 H ASP A 93 6.498 -6.361 0.655 1.00 0.00 H new ATOM 0 HA ASP A 93 6.595 -3.612 -0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.504 -4.517 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.675 -4.757 0.130 1.00 0.00 H new ATOM 1524 N LEU A 94 5.803 -3.607 -2.571 1.00 0.00 N ATOM 1525 CA LEU A 94 5.115 -3.558 -3.856 1.00 0.00 C ATOM 1526 C LEU A 94 5.762 -4.515 -4.853 1.00 0.00 C ATOM 1527 O LEU A 94 5.094 -5.050 -5.738 1.00 0.00 O ATOM 1528 CB LEU A 94 5.132 -2.134 -4.416 1.00 0.00 C ATOM 1529 CG LEU A 94 4.060 -1.200 -3.850 1.00 0.00 C ATOM 1530 CD1 LEU A 94 4.110 0.151 -4.548 1.00 0.00 C ATOM 1531 CD2 LEU A 94 2.679 -1.824 -3.988 1.00 0.00 C ATOM 0 H LEU A 94 6.208 -2.719 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 94 4.081 -3.866 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.111 -1.696 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.013 -2.185 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 94 4.261 -1.047 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.341 0.803 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.090 0.603 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.935 0.016 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.930 -1.145 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.466 -2.008 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.650 -2.767 -3.442 1.00 0.00 H new ATOM 1543 N GLY A 95 7.066 -4.723 -4.704 1.00 0.00 N ATOM 1544 CA GLY A 95 7.783 -5.614 -5.598 1.00 0.00 C ATOM 1545 C GLY A 95 9.275 -5.625 -5.327 1.00 0.00 C ATOM 1546 O GLY A 95 10.061 -5.113 -6.124 1.00 0.00 O ATOM 0 H GLY A 95 7.639 -4.290 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.390 -6.625 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.606 -5.310 -6.630 1.00 0.00 H new ATOM 1613 N LYS A 101 12.263 -2.814 1.883 1.00 0.00 N ATOM 1614 CA LYS A 101 11.003 -2.321 1.344 1.00 0.00 C ATOM 1615 C LYS A 101 11.217 -1.571 0.032 1.00 0.00 C ATOM 1616 O LYS A 101 12.351 -1.380 -0.408 1.00 0.00 O ATOM 1617 CB LYS A 101 10.315 -1.406 2.359 1.00 0.00 C ATOM 1618 CG LYS A 101 9.970 -2.100 3.667 1.00 0.00 C ATOM 1619 CD LYS A 101 8.575 -2.702 3.627 1.00 0.00 C ATOM 1620 CE LYS A 101 7.556 -1.792 4.293 1.00 0.00 C ATOM 1621 NZ LYS A 101 6.252 -2.478 4.504 1.00 0.00 N ATOM 0 HA LYS A 101 10.366 -3.182 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.965 -0.556 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.402 -1.008 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.700 -2.884 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.036 -1.386 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.284 -2.880 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.581 -3.671 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.946 -1.451 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.404 -0.905 3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.520 -2.017 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.336 -3.476 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.988 -2.421 5.508 1.00 0.00 H new ATOM 1635 N ILE A 102 10.120 -1.149 -0.589 1.00 0.00 N ATOM 1636 CA ILE A 102 10.188 -0.421 -1.850 1.00 0.00 C ATOM 1637 C ILE A 102 10.307 1.081 -1.612 1.00 0.00 C ATOM 1638 O ILE A 102 9.326 1.817 -1.719 1.00 0.00 O ATOM 1639 CB ILE A 102 8.950 -0.694 -2.727 1.00 0.00 C ATOM 1640 CG1 ILE A 102 8.674 -2.196 -2.803 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.149 -0.113 -4.118 1.00 0.00 C ATOM 1642 CD1 ILE A 102 9.801 -2.986 -3.432 1.00 0.00 C ATOM 0 H ILE A 102 9.174 -1.299 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 102 11.077 -0.776 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 102 8.086 -0.209 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.492 -2.575 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.761 -2.361 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.267 -0.314 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.302 0.964 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.022 -0.572 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.537 -4.043 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.969 -2.634 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.711 -2.851 -2.847 1.00 0.00 H new ATOM 1654 N ASN A 103 11.516 1.529 -1.293 1.00 0.00 N ATOM 1655 CA ASN A 103 11.765 2.943 -1.042 1.00 0.00 C ATOM 1656 C ASN A 103 12.329 3.621 -2.286 1.00 0.00 C ATOM 1657 O ASN A 103 12.094 4.806 -2.522 1.00 0.00 O ATOM 1658 CB ASN A 103 12.733 3.113 0.131 1.00 0.00 C ATOM 1659 CG ASN A 103 12.347 2.265 1.328 1.00 0.00 C ATOM 1660 OD1 ASN A 103 12.468 1.041 1.300 1.00 0.00 O ATOM 1661 ND2 ASN A 103 11.879 2.916 2.386 1.00 0.00 N ATOM 0 H ASN A 103 12.339 0.933 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 103 10.816 3.416 -0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.740 2.846 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.761 4.162 0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.602 2.400 3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.796 3.932 2.364 1.00 0.00 H new ATOM 1668 N TRP A 104 13.075 2.859 -3.080 1.00 0.00 N ATOM 1669 CA TRP A 104 13.674 3.382 -4.303 1.00 0.00 C ATOM 1670 C TRP A 104 12.764 3.143 -5.508 1.00 0.00 C ATOM 1671 O TRP A 104 12.931 3.769 -6.553 1.00 0.00 O ATOM 1672 CB TRP A 104 15.038 2.733 -4.545 1.00 0.00 C ATOM 1673 CG TRP A 104 16.173 3.487 -3.921 1.00 0.00 C ATOM 1674 CD1 TRP A 104 16.907 4.485 -4.494 1.00 0.00 C ATOM 1675 CD2 TRP A 104 16.703 3.302 -2.604 1.00 0.00 C ATOM 1676 NE1 TRP A 104 17.862 4.932 -3.614 1.00 0.00 N ATOM 1677 CE2 TRP A 104 17.758 4.222 -2.447 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.390 2.451 -1.541 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 18.499 4.313 -1.270 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 17.126 2.541 -0.375 1.00 0.00 C ATOM 1681 CH2 TRP A 104 18.169 3.467 -0.247 1.00 0.00 C ATOM 0 H TRP A 104 13.279 1.876 -2.898 1.00 0.00 H new ATOM 0 HA TRP A 104 13.805 4.457 -4.179 1.00 0.00 H new ATOM 0 HB2 TRP A 104 15.025 1.717 -4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 104 15.210 2.655 -5.619 1.00 0.00 H new ATOM 0 HD1 TRP A 104 16.759 4.867 -5.493 1.00 0.00 H new ATOM 0 HE1 TRP A 104 18.539 5.672 -3.799 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.586 1.735 -1.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 19.304 5.025 -1.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.893 1.886 0.452 1.00 0.00 H new ATOM 0 HH2 TRP A 104 18.724 3.514 0.678 1.00 0.00 H new ATOM 1692 N ALA A 105 11.802 2.235 -5.354 1.00 0.00 N ATOM 1693 CA ALA A 105 10.869 1.916 -6.430 1.00 0.00 C ATOM 1694 C ALA A 105 11.582 1.231 -7.592 1.00 0.00 C ATOM 1695 O ALA A 105 12.437 1.827 -8.247 1.00 0.00 O ATOM 1696 CB ALA A 105 10.156 3.174 -6.906 1.00 0.00 C ATOM 0 H ALA A 105 11.649 1.708 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 105 10.126 1.222 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.464 2.918 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.603 3.615 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.890 3.891 -7.274 1.00 0.00 H new ATOM 1702 N MET A 106 11.221 -0.023 -7.841 1.00 0.00 N ATOM 1703 CA MET A 106 11.821 -0.794 -8.924 1.00 0.00 C ATOM 1704 C MET A 106 11.185 -2.177 -9.020 1.00 0.00 C ATOM 1705 O MET A 106 11.486 -3.066 -8.223 1.00 0.00 O ATOM 1706 CB MET A 106 13.330 -0.928 -8.708 1.00 0.00 C ATOM 1707 CG MET A 106 14.038 -1.689 -9.817 1.00 0.00 C ATOM 1708 SD MET A 106 15.402 -2.698 -9.205 1.00 0.00 S ATOM 1709 CE MET A 106 16.248 -3.088 -10.735 1.00 0.00 C ATOM 0 H MET A 106 10.514 -0.528 -7.306 1.00 0.00 H new ATOM 0 HA MET A 106 11.641 -0.263 -9.859 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.767 0.067 -8.626 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.509 -1.434 -7.759 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.319 -2.329 -10.330 1.00 0.00 H new ATOM 0 HG3 MET A 106 14.417 -0.981 -10.554 1.00 0.00 H new ATOM 0 HE1 MET A 106 17.118 -3.709 -10.522 1.00 0.00 H new ATOM 0 HE2 MET A 106 15.571 -3.627 -11.398 1.00 0.00 H new ATOM 0 HE3 MET A 106 16.571 -2.166 -11.218 1.00 0.00 H new ATOM 1719 N GLU A 107 10.300 -2.350 -9.997 1.00 0.00 N ATOM 1720 CA GLU A 107 9.618 -3.626 -10.195 1.00 0.00 C ATOM 1721 C GLU A 107 8.649 -3.555 -11.371 1.00 0.00 C ATOM 1722 O GLU A 107 8.469 -4.533 -12.099 1.00 0.00 O ATOM 1723 CB GLU A 107 8.863 -4.027 -8.924 1.00 0.00 C ATOM 1724 CG GLU A 107 8.098 -2.881 -8.284 1.00 0.00 C ATOM 1725 CD GLU A 107 8.487 -2.656 -6.836 1.00 0.00 C ATOM 1726 OE1 GLU A 107 9.701 -2.607 -6.547 1.00 0.00 O ATOM 1727 OE2 GLU A 107 7.577 -2.527 -5.989 1.00 0.00 O ATOM 0 H GLU A 107 10.038 -1.624 -10.664 1.00 0.00 H new ATOM 0 HA GLU A 107 10.374 -4.379 -10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.165 -4.829 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.573 -4.428 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.278 -1.968 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.029 -3.086 -8.341 1.00 0.00 H new ATOM 1734 N ASP A 108 8.023 -2.395 -11.549 1.00 0.00 N ATOM 1735 CA ASP A 108 7.068 -2.200 -12.635 1.00 0.00 C ATOM 1736 C ASP A 108 5.875 -3.141 -12.479 1.00 0.00 C ATOM 1737 O ASP A 108 5.583 -3.603 -11.377 1.00 0.00 O ATOM 1738 CB ASP A 108 7.746 -2.417 -13.990 1.00 0.00 C ATOM 1739 CG ASP A 108 9.113 -1.766 -14.069 1.00 0.00 C ATOM 1740 OD1 ASP A 108 10.100 -2.403 -13.643 1.00 0.00 O ATOM 1741 OD2 ASP A 108 9.198 -0.619 -14.555 1.00 0.00 O ATOM 0 H ASP A 108 8.160 -1.577 -10.956 1.00 0.00 H new ATOM 0 HA ASP A 108 6.704 -1.174 -12.590 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.846 -3.487 -14.175 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.110 -2.015 -14.779 1.00 0.00 H new ATOM 1746 N LYS A 109 5.184 -3.420 -13.584 1.00 0.00 N ATOM 1747 CA LYS A 109 4.021 -4.302 -13.557 1.00 0.00 C ATOM 1748 C LYS A 109 4.423 -5.778 -13.536 1.00 0.00 C ATOM 1749 O LYS A 109 3.566 -6.657 -13.610 1.00 0.00 O ATOM 1750 CB LYS A 109 3.125 -4.028 -14.767 1.00 0.00 C ATOM 1751 CG LYS A 109 3.874 -4.024 -16.089 1.00 0.00 C ATOM 1752 CD LYS A 109 2.960 -4.398 -17.246 1.00 0.00 C ATOM 1753 CE LYS A 109 3.658 -4.221 -18.585 1.00 0.00 C ATOM 1754 NZ LYS A 109 3.268 -5.279 -19.558 1.00 0.00 N ATOM 0 H LYS A 109 5.410 -3.048 -14.507 1.00 0.00 H new ATOM 0 HA LYS A 109 3.474 -4.092 -12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 109 2.340 -4.783 -14.806 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.634 -3.064 -14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.300 -3.036 -16.265 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.706 -4.726 -16.039 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.637 -5.433 -17.136 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.063 -3.780 -17.217 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.413 -3.242 -18.996 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.738 -4.243 -18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.765 -5.123 -20.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.525 -6.212 -19.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.241 -5.241 -19.719 1.00 0.00 H new ATOM 1768 N GLN A 110 5.720 -6.051 -13.436 1.00 0.00 N ATOM 1769 CA GLN A 110 6.204 -7.427 -13.407 1.00 0.00 C ATOM 1770 C GLN A 110 6.277 -7.949 -11.975 1.00 0.00 C ATOM 1771 O GLN A 110 5.439 -8.746 -11.549 1.00 0.00 O ATOM 1772 CB GLN A 110 7.581 -7.522 -14.068 1.00 0.00 C ATOM 1773 CG GLN A 110 7.531 -7.458 -15.586 1.00 0.00 C ATOM 1774 CD GLN A 110 7.666 -8.823 -16.230 1.00 0.00 C ATOM 1775 OE1 GLN A 110 6.821 -9.698 -16.043 1.00 0.00 O ATOM 1776 NE2 GLN A 110 8.734 -9.013 -16.997 1.00 0.00 N ATOM 0 H GLN A 110 6.451 -5.342 -13.374 1.00 0.00 H new ATOM 0 HA GLN A 110 5.499 -8.044 -13.964 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.209 -6.711 -13.699 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.056 -8.456 -13.767 1.00 0.00 H new ATOM 0 HG2 GLN A 110 6.589 -7.005 -15.896 1.00 0.00 H new ATOM 0 HG3 GLN A 110 8.330 -6.810 -15.945 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.410 -8.260 -17.125 1.00 0.00 H new ATOM 0 HE22 GLN A 110 8.878 -9.912 -17.458 1.00 0.00 H new ATOM 1785 N GLU A 111 7.286 -7.497 -11.236 1.00 0.00 N ATOM 1786 CA GLU A 111 7.471 -7.920 -9.852 1.00 0.00 C ATOM 1787 C GLU A 111 6.234 -7.611 -9.012 1.00 0.00 C ATOM 1788 O GLU A 111 5.956 -8.294 -8.027 1.00 0.00 O ATOM 1789 CB GLU A 111 8.701 -7.236 -9.249 1.00 0.00 C ATOM 1790 CG GLU A 111 9.873 -8.178 -9.030 1.00 0.00 C ATOM 1791 CD GLU A 111 10.772 -8.283 -10.246 1.00 0.00 C ATOM 1792 OE1 GLU A 111 11.215 -7.228 -10.750 1.00 0.00 O ATOM 1793 OE2 GLU A 111 11.033 -9.418 -10.696 1.00 0.00 O ATOM 0 H GLU A 111 7.988 -6.838 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 111 7.625 -8.999 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.015 -6.425 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.425 -6.785 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.459 -7.831 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.496 -9.168 -8.775 1.00 0.00 H new ATOM 1800 N MET A 112 5.496 -6.578 -9.405 1.00 0.00 N ATOM 1801 CA MET A 112 4.291 -6.183 -8.684 1.00 0.00 C ATOM 1802 C MET A 112 3.199 -7.236 -8.831 1.00 0.00 C ATOM 1803 O MET A 112 2.714 -7.780 -7.842 1.00 0.00 O ATOM 1804 CB MET A 112 3.787 -4.829 -9.191 1.00 0.00 C ATOM 1805 CG MET A 112 4.289 -3.650 -8.372 1.00 0.00 C ATOM 1806 SD MET A 112 2.994 -2.898 -7.367 1.00 0.00 S ATOM 1807 CE MET A 112 3.062 -1.202 -7.941 1.00 0.00 C ATOM 0 H MET A 112 5.711 -6.000 -10.218 1.00 0.00 H new ATOM 0 HA MET A 112 4.543 -6.094 -7.627 1.00 0.00 H new ATOM 0 HB2 MET A 112 4.098 -4.700 -10.228 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.697 -4.829 -9.182 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.099 -3.982 -7.723 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.705 -2.898 -9.043 1.00 0.00 H new ATOM 0 HE1 MET A 112 2.664 -0.541 -7.171 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.096 -0.931 -8.153 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.467 -1.101 -8.849 1.00 0.00 H new ATOM 1817 N VAL A 113 2.815 -7.524 -10.072 1.00 0.00 N ATOM 1818 CA VAL A 113 1.781 -8.519 -10.340 1.00 0.00 C ATOM 1819 C VAL A 113 2.045 -9.801 -9.554 1.00 0.00 C ATOM 1820 O VAL A 113 1.117 -10.440 -9.057 1.00 0.00 O ATOM 1821 CB VAL A 113 1.699 -8.848 -11.845 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.756 -10.016 -12.101 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.258 -7.624 -12.632 1.00 0.00 C ATOM 0 H VAL A 113 3.203 -7.083 -10.906 1.00 0.00 H new ATOM 0 HA VAL A 113 0.830 -8.092 -10.022 1.00 0.00 H new ATOM 0 HB VAL A 113 2.694 -9.140 -12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.718 -10.225 -13.170 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.117 -10.898 -11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.243 -9.762 -11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.205 -7.873 -13.692 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.276 -7.303 -12.285 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.977 -6.818 -12.484 1.00 0.00 H new ATOM 1833 N ASP A 114 3.316 -10.166 -9.448 1.00 0.00 N ATOM 1834 CA ASP A 114 3.707 -11.369 -8.722 1.00 0.00 C ATOM 1835 C ASP A 114 3.383 -11.242 -7.235 1.00 0.00 C ATOM 1836 O ASP A 114 2.759 -12.127 -6.649 1.00 0.00 O ATOM 1837 CB ASP A 114 5.202 -11.638 -8.908 1.00 0.00 C ATOM 1838 CG ASP A 114 5.528 -13.118 -8.899 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.987 -13.839 -8.036 1.00 0.00 O ATOM 1840 OD2 ASP A 114 6.326 -13.555 -9.755 1.00 0.00 O ATOM 0 H ASP A 114 4.094 -9.647 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 114 3.139 -12.206 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.532 -11.202 -9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.759 -11.141 -8.114 1.00 0.00 H new ATOM 1845 N ILE A 115 3.815 -10.140 -6.627 1.00 0.00 N ATOM 1846 CA ILE A 115 3.572 -9.907 -5.208 1.00 0.00 C ATOM 1847 C ILE A 115 2.085 -9.707 -4.925 1.00 0.00 C ATOM 1848 O ILE A 115 1.532 -10.299 -3.998 1.00 0.00 O ATOM 1849 CB ILE A 115 4.379 -8.689 -4.684 1.00 0.00 C ATOM 1850 CG1 ILE A 115 4.791 -8.917 -3.229 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.592 -7.386 -4.815 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.678 -10.128 -3.035 1.00 0.00 C ATOM 0 H ILE A 115 4.334 -9.397 -7.094 1.00 0.00 H new ATOM 0 HA ILE A 115 3.910 -10.797 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 115 5.273 -8.594 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.313 -8.032 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.895 -9.032 -2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.193 -6.559 -4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.351 -7.210 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.670 -7.458 -4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.931 -10.228 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.151 -11.022 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.592 -10.007 -3.617 1.00 0.00 H new ATOM 1864 N ILE A 116 1.448 -8.859 -5.724 1.00 0.00 N ATOM 1865 CA ILE A 116 0.032 -8.569 -5.558 1.00 0.00 C ATOM 1866 C ILE A 116 -0.807 -9.837 -5.685 1.00 0.00 C ATOM 1867 O ILE A 116 -1.837 -9.981 -5.028 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.450 -7.528 -6.592 1.00 0.00 C ATOM 1869 CG1 ILE A 116 0.285 -6.201 -6.389 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -1.956 -7.325 -6.493 1.00 0.00 C ATOM 1871 CD1 ILE A 116 0.935 -5.672 -7.647 1.00 0.00 C ATOM 0 H ILE A 116 1.892 -8.360 -6.495 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.097 -8.157 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.224 -7.904 -7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.419 -5.459 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.049 -6.332 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.273 -6.588 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.464 -8.270 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.211 -6.971 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.437 -4.730 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.664 -6.396 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.173 -5.509 -8.409 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.359 -10.755 -6.536 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.070 -12.010 -6.750 1.00 0.00 C ATOM 1885 C GLU A 117 -1.026 -12.882 -5.499 1.00 0.00 C ATOM 1886 O GLU A 117 -2.004 -13.550 -5.162 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.465 -12.766 -7.934 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.271 -13.985 -8.352 1.00 0.00 C ATOM 1889 CD GLU A 117 -1.308 -14.172 -9.856 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -0.234 -14.400 -10.452 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -2.410 -14.091 -10.437 1.00 0.00 O ATOM 0 H GLU A 117 0.493 -10.653 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.112 -11.776 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.381 -12.088 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.546 -13.080 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.844 -14.875 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.290 -13.889 -7.976 1.00 0.00 H new ATOM 1898 N THR A 118 0.113 -12.872 -4.816 1.00 0.00 N ATOM 1899 CA THR A 118 0.283 -13.665 -3.603 1.00 0.00 C ATOM 1900 C THR A 118 -0.308 -12.952 -2.390 1.00 0.00 C ATOM 1901 O THR A 118 -0.728 -13.593 -1.426 1.00 0.00 O ATOM 1902 CB THR A 118 1.766 -13.954 -3.364 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.488 -13.915 -4.582 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.017 -15.304 -2.725 1.00 0.00 C ATOM 0 H THR A 118 0.932 -12.324 -5.081 1.00 0.00 H new ATOM 0 HA THR A 118 -0.250 -14.606 -3.740 1.00 0.00 H new ATOM 0 HB THR A 118 2.105 -13.176 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.434 -14.101 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.088 -15.446 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.514 -15.348 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.629 -16.091 -3.372 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.337 -11.624 -2.441 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.874 -10.829 -1.343 1.00 0.00 C ATOM 1914 C VAL A 119 -2.395 -10.732 -1.420 1.00 0.00 C ATOM 1915 O VAL A 119 -3.096 -11.042 -0.458 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.280 -9.407 -1.335 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -0.738 -8.641 -0.102 1.00 0.00 C ATOM 1918 CG2 VAL A 119 1.239 -9.461 -1.404 1.00 0.00 C ATOM 0 H VAL A 119 0.005 -11.076 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.593 -11.338 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.642 -8.879 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.308 -7.640 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.826 -8.569 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.409 -9.165 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.640 -8.447 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.623 -10.009 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.544 -9.966 -2.321 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.899 -10.296 -2.570 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.337 -10.155 -2.770 1.00 0.00 C ATOM 1930 C TYR A 120 -5.043 -11.499 -2.629 1.00 0.00 C ATOM 1931 O TYR A 120 -6.144 -11.581 -2.083 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.628 -9.555 -4.148 1.00 0.00 C ATOM 1933 CG TYR A 120 -4.279 -8.084 -4.274 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -3.499 -7.440 -3.319 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -4.733 -7.340 -5.357 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -3.183 -6.100 -3.441 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -4.421 -6.000 -5.485 1.00 0.00 C ATOM 1938 CZ TYR A 120 -3.645 -5.385 -4.525 1.00 0.00 C ATOM 1939 OH TYR A 120 -3.332 -4.051 -4.649 1.00 0.00 O ATOM 0 H TYR A 120 -2.333 -10.034 -3.377 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.718 -9.483 -2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.071 -10.114 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -5.687 -9.686 -4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -3.134 -7.996 -2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.340 -7.818 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -2.577 -5.615 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -4.783 -5.437 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 120 -3.734 -3.695 -5.469 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.401 -12.550 -3.124 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.967 -13.893 -3.055 1.00 0.00 C ATOM 1951 C ARG A 121 -4.617 -14.560 -1.729 1.00 0.00 C ATOM 1952 O ARG A 121 -5.407 -15.329 -1.181 1.00 0.00 O ATOM 1953 CB ARG A 121 -4.457 -14.745 -4.219 1.00 0.00 C ATOM 1954 CG ARG A 121 -5.164 -16.084 -4.347 1.00 0.00 C ATOM 1955 CD ARG A 121 -5.073 -16.629 -5.763 1.00 0.00 C ATOM 1956 NE ARG A 121 -6.298 -16.389 -6.521 1.00 0.00 N ATOM 1957 CZ ARG A 121 -7.405 -17.118 -6.393 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -7.444 -18.133 -5.538 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -8.475 -16.831 -7.121 1.00 0.00 N ATOM 0 H ARG A 121 -3.489 -12.499 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.051 -13.809 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.580 -14.188 -5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.389 -14.918 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.722 -16.798 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.211 -15.972 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.232 -16.164 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.873 -17.700 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.306 -15.617 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.623 -18.358 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.295 -18.688 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -8.450 -16.052 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -9.323 -17.389 -7.023 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.428 -14.258 -1.219 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.992 -14.834 0.039 1.00 0.00 C ATOM 1975 C GLY A 122 -3.698 -14.218 1.230 1.00 0.00 C ATOM 1976 O GLY A 122 -4.071 -14.919 2.171 1.00 0.00 O ATOM 0 H GLY A 122 -2.758 -13.624 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.175 -15.908 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.916 -14.695 0.146 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.880 -12.903 1.188 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.545 -12.187 2.268 1.00 0.00 C ATOM 1982 C ALA A 123 -6.051 -12.117 2.037 1.00 0.00 C ATOM 1983 O ALA A 123 -6.651 -11.044 2.098 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.963 -10.787 2.406 1.00 0.00 C ATOM 0 H ALA A 123 -3.575 -12.311 0.415 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.373 -12.734 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.468 -10.261 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.898 -10.856 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.106 -10.240 1.474 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.658 -13.270 1.772 1.00 0.00 N ATOM 1991 CA ARG A 124 -8.095 -13.340 1.532 1.00 0.00 C ATOM 1992 C ARG A 124 -8.841 -13.729 2.803 1.00 0.00 C ATOM 1993 O ARG A 124 -9.890 -13.165 3.117 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.396 -14.346 0.419 1.00 0.00 C ATOM 1995 CG ARG A 124 -8.043 -15.779 0.782 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.278 -16.723 -0.387 1.00 0.00 C ATOM 1997 NE ARG A 124 -9.584 -16.513 -1.008 1.00 0.00 N ATOM 1998 CZ ARG A 124 -9.905 -16.946 -2.224 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -9.020 -17.613 -2.954 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -11.115 -16.711 -2.713 1.00 0.00 N ATOM 0 H ARG A 124 -6.177 -14.168 1.718 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.437 -12.352 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.456 -14.294 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.844 -14.060 -0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.998 -15.831 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.642 -16.098 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.495 -16.579 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.203 -17.754 -0.041 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.291 -16.004 -0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.088 -17.796 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.272 -17.942 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.799 -16.198 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.362 -17.043 -3.645 1.00 0.00 H new