USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 THR OG1 : rot 177:sc= 0.803 USER MOD Set 1.2: A 114 THR OG1 : rot 98:sc= 0.905 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.13 X(o=1.1,f=1.3) USER MOD Set 2.2: A 63 CYS SG : rot 180:sc= 0.581 USER MOD Set 2.3: A 90 CYS SG : rot -127:sc= 0.696 USER MOD Set 3.1: A 43 TYR OH : rot 180:sc= 0.93 USER MOD Set 3.2: A 46 THR OG1 : rot 82:sc= 1.07 USER MOD Set 4.1: A 41 ASN : amide:sc= -0.534 X(o=-0.48,f=-0.085) USER MOD Set 4.2: A 112 ASN : amide:sc= 0.0506 X(o=-0.48,f=-0.64) USER MOD Set 5.1: A 32 THR OG1 : rot 180:sc= 0.543 USER MOD Set 5.2: A 50 THR OG1 : rot -69:sc= 0.607 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0942 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.54 K(o=1.5,f=-6.9!) USER MOD Single : A 44 MET CE :methyl -152:sc= -0.106 (180deg=-0.866) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -151:sc= 1.26 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.018 F(o=-0.93,f=-0.018) USER MOD Single : A 65 THR OG1 : rot 174:sc= 1.26 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.22 F(o=-2.3,f=-1.2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 164:sc= -0.173 (180deg=-0.469) USER MOD Single : A 75 ASN : amide:sc= -0.301 K(o=-0.3,f=-2.4!) USER MOD Single : A 76 THR OG1 : rot -161:sc= 0.964 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 179:sc= -9.38! (180deg=-9.51!) USER MOD Single : A 83 ASN : amide:sc= -1.2 K(o=-1.2,f=-5.1!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.429! X(o=-0.43!,f=0) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.331 F(o=-1.7,f=-0.33) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 117 GLN : amide:sc= 0.419 X(o=0.42,f=-0.014) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.33) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 27 -3.039 -16.508 7.967 1.00 0.00 N ATOM 26 CA GLU A 27 -2.002 -15.500 7.989 1.00 0.00 C ATOM 27 C GLU A 27 -0.635 -16.118 7.988 1.00 0.00 C ATOM 28 O GLU A 27 -0.331 -17.017 8.777 1.00 0.00 O ATOM 29 CB GLU A 27 -2.227 -14.470 9.069 1.00 0.00 C ATOM 30 CG GLU A 27 -1.518 -14.655 10.393 1.00 0.00 C ATOM 31 CD GLU A 27 -2.156 -15.678 11.338 1.00 0.00 C ATOM 32 OE1 GLU A 27 -1.689 -15.752 12.500 1.00 0.00 O ATOM 33 OE2 GLU A 27 -3.052 -16.458 10.951 1.00 0.00 O ATOM 0 HA GLU A 27 -2.062 -14.934 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.936 -13.499 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.298 -14.425 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.489 -14.958 10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.475 -13.692 10.902 1.00 0.00 H new ATOM 41 N LEU A 28 0.203 -15.592 7.106 1.00 0.00 N ATOM 42 CA LEU A 28 1.568 -16.047 6.993 1.00 0.00 C ATOM 43 C LEU A 28 2.602 -14.932 6.767 1.00 0.00 C ATOM 44 O LEU A 28 3.353 -14.983 5.801 1.00 0.00 O ATOM 45 CB LEU A 28 1.660 -17.235 6.005 1.00 0.00 C ATOM 46 CG LEU A 28 0.904 -17.176 4.651 1.00 0.00 C ATOM 47 CD1 LEU A 28 -0.604 -17.444 4.765 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.075 -15.840 3.932 1.00 0.00 C ATOM 0 H LEU A 28 -0.047 -14.845 6.458 1.00 0.00 H new ATOM 0 HA LEU A 28 1.864 -16.425 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.715 -17.390 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.312 -18.123 6.532 1.00 0.00 H new ATOM 0 HG LEU A 28 1.367 -17.978 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.060 -17.385 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.766 -18.439 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.058 -16.699 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.524 -15.860 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.692 -15.037 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.132 -15.669 3.729 1.00 0.00 H new ATOM 60 N PRO A 29 2.696 -13.919 7.645 1.00 0.00 N ATOM 61 CA PRO A 29 3.675 -12.847 7.513 1.00 0.00 C ATOM 62 C PRO A 29 5.077 -13.342 7.885 1.00 0.00 C ATOM 63 O PRO A 29 5.314 -13.620 9.063 1.00 0.00 O ATOM 64 CB PRO A 29 3.229 -11.739 8.463 1.00 0.00 C ATOM 65 CG PRO A 29 2.402 -12.484 9.526 1.00 0.00 C ATOM 66 CD PRO A 29 1.903 -13.756 8.848 1.00 0.00 C ATOM 0 HA PRO A 29 3.728 -12.489 6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.081 -11.224 8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.634 -10.985 7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.009 -12.719 10.400 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.569 -11.873 9.872 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.016 -14.617 9.507 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.843 -13.677 8.606 1.00 0.00 H new ATOM 74 N PRO A 30 6.040 -13.401 6.952 1.00 0.00 N ATOM 75 CA PRO A 30 7.435 -13.614 7.274 1.00 0.00 C ATOM 76 C PRO A 30 8.083 -12.336 7.824 1.00 0.00 C ATOM 77 O PRO A 30 9.220 -12.420 8.287 1.00 0.00 O ATOM 78 CB PRO A 30 8.075 -14.009 5.942 1.00 0.00 C ATOM 79 CG PRO A 30 7.317 -13.139 4.941 1.00 0.00 C ATOM 80 CD PRO A 30 5.922 -13.042 5.553 1.00 0.00 C ATOM 0 HA PRO A 30 7.564 -14.372 8.046 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.145 -13.804 5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.952 -15.071 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.778 -12.157 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.292 -13.593 3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.525 -12.032 5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.230 -13.711 5.041 1.00 0.00 H new ATOM 88 N GLY A 31 7.411 -11.172 7.760 1.00 0.00 N ATOM 89 CA GLY A 31 8.049 -9.885 7.998 1.00 0.00 C ATOM 90 C GLY A 31 8.918 -9.510 6.795 1.00 0.00 C ATOM 91 O GLY A 31 9.966 -10.112 6.582 1.00 0.00 O ATOM 0 H GLY A 31 6.417 -11.108 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.292 -9.118 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.660 -9.932 8.900 1.00 0.00 H new ATOM 95 N THR A 32 8.456 -8.533 6.011 1.00 0.00 N ATOM 96 CA THR A 32 9.153 -7.887 4.897 1.00 0.00 C ATOM 97 C THR A 32 9.477 -8.820 3.723 1.00 0.00 C ATOM 98 O THR A 32 10.287 -9.739 3.821 1.00 0.00 O ATOM 99 CB THR A 32 10.291 -6.987 5.418 1.00 0.00 C ATOM 100 OG1 THR A 32 9.723 -6.075 6.344 1.00 0.00 O ATOM 101 CG2 THR A 32 10.935 -6.131 4.325 1.00 0.00 C ATOM 0 H THR A 32 7.522 -8.146 6.147 1.00 0.00 H new ATOM 0 HA THR A 32 8.459 -7.204 4.408 1.00 0.00 H new ATOM 0 HB THR A 32 11.052 -7.643 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.424 -5.487 6.696 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.728 -5.522 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.355 -6.779 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.181 -5.482 3.880 1.00 0.00 H new ATOM 109 N TYR A 33 8.778 -8.619 2.600 1.00 0.00 N ATOM 110 CA TYR A 33 8.977 -9.357 1.360 1.00 0.00 C ATOM 111 C TYR A 33 9.061 -8.378 0.182 1.00 0.00 C ATOM 112 O TYR A 33 8.388 -7.346 0.201 1.00 0.00 O ATOM 113 CB TYR A 33 7.896 -10.431 1.182 1.00 0.00 C ATOM 114 CG TYR A 33 6.593 -10.010 0.517 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.861 -8.927 1.023 1.00 0.00 C ATOM 116 CD2 TYR A 33 6.094 -10.705 -0.599 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.649 -8.522 0.453 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.891 -10.293 -1.203 1.00 0.00 C ATOM 119 CZ TYR A 33 4.172 -9.186 -0.692 1.00 0.00 C ATOM 120 OH TYR A 33 3.015 -8.780 -1.285 1.00 0.00 O ATOM 0 H TYR A 33 8.040 -7.918 2.533 1.00 0.00 H new ATOM 0 HA TYR A 33 9.925 -9.893 1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.324 -11.246 0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.657 -10.835 2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.244 -8.389 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.633 -11.554 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.086 -7.709 0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.514 -10.826 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 33 2.831 -9.345 -2.064 1.00 0.00 H new ATOM 130 N ARG A 34 9.854 -8.685 -0.852 1.00 0.00 N ATOM 131 CA ARG A 34 10.139 -7.762 -1.952 1.00 0.00 C ATOM 132 C ARG A 34 9.626 -8.343 -3.252 1.00 0.00 C ATOM 133 O ARG A 34 10.123 -9.385 -3.687 1.00 0.00 O ATOM 134 CB ARG A 34 11.641 -7.469 -2.017 1.00 0.00 C ATOM 135 CG ARG A 34 11.957 -6.176 -2.774 1.00 0.00 C ATOM 136 CD ARG A 34 11.951 -6.256 -4.299 1.00 0.00 C ATOM 137 NE ARG A 34 13.067 -7.089 -4.742 1.00 0.00 N ATOM 138 CZ ARG A 34 13.323 -7.515 -5.978 1.00 0.00 C ATOM 139 NH1 ARG A 34 12.474 -7.274 -6.969 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.440 -8.190 -6.199 1.00 0.00 N ATOM 0 H ARG A 34 10.318 -9.588 -0.947 1.00 0.00 H new ATOM 0 HA ARG A 34 9.625 -6.816 -1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.038 -7.399 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.149 -8.303 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.235 -5.418 -2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.939 -5.826 -2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.008 -6.675 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.035 -5.257 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 34 13.727 -7.378 -4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.613 -6.757 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.682 -7.606 -7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.085 -8.375 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.656 -8.526 -7.138 1.00 0.00 H new ATOM 154 N VAL A 35 8.651 -7.668 -3.853 1.00 0.00 N ATOM 155 CA VAL A 35 7.839 -8.146 -4.969 1.00 0.00 C ATOM 156 C VAL A 35 7.493 -6.973 -5.892 1.00 0.00 C ATOM 157 O VAL A 35 7.994 -5.864 -5.671 1.00 0.00 O ATOM 158 CB VAL A 35 6.580 -8.835 -4.416 1.00 0.00 C ATOM 159 CG1 VAL A 35 7.002 -10.077 -3.625 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.697 -7.918 -3.551 1.00 0.00 C ATOM 0 H VAL A 35 8.392 -6.726 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 35 8.392 -8.876 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 35 5.962 -9.112 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.117 -10.574 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.538 -10.762 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.652 -9.781 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.829 -8.476 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.271 -7.561 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.364 -7.067 -4.145 1.00 0.00 H new ATOM 170 N ASP A 36 6.635 -7.184 -6.898 1.00 0.00 N ATOM 171 CA ASP A 36 5.973 -6.102 -7.610 1.00 0.00 C ATOM 172 C ASP A 36 4.663 -5.790 -6.906 1.00 0.00 C ATOM 173 O ASP A 36 3.972 -6.666 -6.381 1.00 0.00 O ATOM 174 CB ASP A 36 5.747 -6.347 -9.116 1.00 0.00 C ATOM 175 CG ASP A 36 5.482 -7.752 -9.646 1.00 0.00 C ATOM 176 OD1 ASP A 36 5.263 -8.707 -8.876 1.00 0.00 O ATOM 177 OD2 ASP A 36 5.586 -7.906 -10.886 1.00 0.00 O ATOM 0 H ASP A 36 6.385 -8.113 -7.236 1.00 0.00 H new ATOM 0 HA ASP A 36 6.650 -5.249 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.904 -5.726 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.626 -5.968 -9.638 1.00 0.00 H new ATOM 183 N ILE A 37 4.341 -4.503 -6.884 1.00 0.00 N ATOM 184 CA ILE A 37 3.219 -3.919 -6.179 1.00 0.00 C ATOM 185 C ILE A 37 2.220 -3.494 -7.250 1.00 0.00 C ATOM 186 O ILE A 37 2.605 -2.976 -8.303 1.00 0.00 O ATOM 187 CB ILE A 37 3.748 -2.739 -5.336 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.655 -3.240 -4.183 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.620 -1.857 -4.785 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.858 -2.316 -3.972 1.00 0.00 C ATOM 0 H ILE A 37 4.889 -3.805 -7.387 1.00 0.00 H new ATOM 0 HA ILE A 37 2.724 -4.604 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 37 4.343 -2.120 -6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.075 -3.299 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.004 -4.248 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.048 -1.043 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.043 -1.445 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.967 -2.456 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.472 -2.698 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.452 -2.277 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.508 -1.314 -3.724 1.00 0.00 H new ATOM 202 N TYR A 38 0.944 -3.764 -6.992 1.00 0.00 N ATOM 203 CA TYR A 38 -0.062 -3.925 -8.020 1.00 0.00 C ATOM 204 C TYR A 38 -1.391 -3.375 -7.492 1.00 0.00 C ATOM 205 O TYR A 38 -2.082 -4.025 -6.709 1.00 0.00 O ATOM 206 CB TYR A 38 -0.114 -5.419 -8.391 1.00 0.00 C ATOM 207 CG TYR A 38 -0.046 -5.690 -9.872 1.00 0.00 C ATOM 208 CD1 TYR A 38 1.196 -5.850 -10.511 1.00 0.00 C ATOM 209 CD2 TYR A 38 -1.233 -5.822 -10.599 1.00 0.00 C ATOM 210 CE1 TYR A 38 1.244 -6.095 -11.894 1.00 0.00 C ATOM 211 CE2 TYR A 38 -1.199 -6.048 -11.984 1.00 0.00 C ATOM 212 CZ TYR A 38 0.044 -6.173 -12.639 1.00 0.00 C ATOM 213 OH TYR A 38 0.065 -6.358 -13.984 1.00 0.00 O ATOM 0 H TYR A 38 0.581 -3.878 -6.046 1.00 0.00 H new ATOM 0 HA TYR A 38 0.168 -3.368 -8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.713 -5.933 -7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.035 -5.848 -7.996 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.111 -5.785 -9.941 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.183 -5.750 -10.091 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.196 -6.224 -12.388 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.119 -6.126 -12.545 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.853 -6.387 -14.325 1.00 0.00 H new ATOM 223 N LEU A 39 -1.757 -2.151 -7.870 1.00 0.00 N ATOM 224 CA LEU A 39 -2.998 -1.517 -7.439 1.00 0.00 C ATOM 225 C LEU A 39 -3.985 -1.495 -8.581 1.00 0.00 C ATOM 226 O LEU A 39 -3.651 -1.223 -9.733 1.00 0.00 O ATOM 227 CB LEU A 39 -2.739 -0.101 -6.931 1.00 0.00 C ATOM 228 CG LEU A 39 -4.015 0.717 -6.636 1.00 0.00 C ATOM 229 CD1 LEU A 39 -4.705 1.383 -7.822 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.940 0.092 -5.603 1.00 0.00 C ATOM 0 H LEU A 39 -1.194 -1.568 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.417 -2.097 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.141 -0.159 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.143 0.433 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.608 1.594 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.585 1.923 -7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.016 2.080 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.007 0.622 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.810 0.733 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.266 -0.888 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.409 -0.018 -4.658 1.00 0.00 H new ATOM 242 N ASN A 40 -5.240 -1.711 -8.216 1.00 0.00 N ATOM 243 CA ASN A 40 -6.390 -1.879 -9.066 1.00 0.00 C ATOM 244 C ASN A 40 -6.116 -2.899 -10.162 1.00 0.00 C ATOM 245 O ASN A 40 -6.559 -2.749 -11.302 1.00 0.00 O ATOM 246 CB ASN A 40 -7.049 -0.569 -9.555 1.00 0.00 C ATOM 247 CG ASN A 40 -7.954 0.083 -8.514 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.409 -0.543 -7.564 1.00 0.00 O ATOM 249 ND2 ASN A 40 -8.224 1.370 -8.649 1.00 0.00 N ATOM 0 H ASN A 40 -5.492 -1.777 -7.230 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.174 -2.296 -8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.269 0.137 -9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.632 -0.778 -10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.811 1.843 -7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.845 1.890 -9.440 1.00 0.00 H new ATOM 256 N ASN A 41 -5.389 -3.961 -9.798 1.00 0.00 N ATOM 257 CA ASN A 41 -4.912 -4.967 -10.731 1.00 0.00 C ATOM 258 C ASN A 41 -4.116 -4.298 -11.876 1.00 0.00 C ATOM 259 O ASN A 41 -4.330 -4.578 -13.059 1.00 0.00 O ATOM 260 CB ASN A 41 -6.091 -5.857 -11.183 1.00 0.00 C ATOM 261 CG ASN A 41 -6.503 -7.008 -10.258 1.00 0.00 C ATOM 262 OD1 ASN A 41 -7.491 -7.691 -10.524 1.00 0.00 O ATOM 263 ND2 ASN A 41 -5.790 -7.302 -9.179 1.00 0.00 N ATOM 0 H ASN A 41 -5.116 -4.141 -8.832 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.203 -5.642 -10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.960 -5.216 -11.330 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.840 -6.280 -12.155 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.064 -8.084 -8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.968 -6.746 -8.944 1.00 0.00 H new ATOM 270 N GLY A 42 -3.179 -3.406 -11.535 1.00 0.00 N ATOM 271 CA GLY A 42 -2.198 -2.833 -12.446 1.00 0.00 C ATOM 272 C GLY A 42 -0.897 -2.507 -11.717 1.00 0.00 C ATOM 273 O GLY A 42 -0.931 -2.168 -10.536 1.00 0.00 O ATOM 0 H GLY A 42 -3.085 -3.055 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.998 -3.533 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.602 -1.927 -12.898 1.00 0.00 H new ATOM 277 N TYR A 43 0.247 -2.614 -12.398 1.00 0.00 N ATOM 278 CA TYR A 43 1.568 -2.452 -11.795 1.00 0.00 C ATOM 279 C TYR A 43 1.794 -1.017 -11.330 1.00 0.00 C ATOM 280 O TYR A 43 1.266 -0.079 -11.932 1.00 0.00 O ATOM 281 CB TYR A 43 2.649 -2.842 -12.819 1.00 0.00 C ATOM 282 CG TYR A 43 4.075 -2.671 -12.318 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.517 -3.409 -11.204 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.942 -1.742 -12.926 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.826 -3.244 -10.722 1.00 0.00 C ATOM 286 CE2 TYR A 43 6.255 -1.573 -12.445 1.00 0.00 C ATOM 287 CZ TYR A 43 6.704 -2.336 -11.346 1.00 0.00 C ATOM 288 OH TYR A 43 7.981 -2.209 -10.897 1.00 0.00 O ATOM 0 H TYR A 43 0.280 -2.818 -13.397 1.00 0.00 H new ATOM 0 HA TYR A 43 1.629 -3.103 -10.923 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.500 -3.882 -13.109 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.517 -2.239 -13.717 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.848 -4.104 -10.719 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.598 -1.156 -13.766 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.161 -3.816 -9.869 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.917 -0.861 -12.916 1.00 0.00 H new ATOM 0 HH TYR A 43 8.453 -1.542 -11.438 1.00 0.00 H new ATOM 298 N MET A 44 2.631 -0.850 -10.301 1.00 0.00 N ATOM 299 CA MET A 44 3.091 0.442 -9.814 1.00 0.00 C ATOM 300 C MET A 44 4.616 0.465 -9.759 1.00 0.00 C ATOM 301 O MET A 44 5.242 1.150 -10.565 1.00 0.00 O ATOM 302 CB MET A 44 2.449 0.783 -8.452 1.00 0.00 C ATOM 303 CG MET A 44 0.933 0.942 -8.570 1.00 0.00 C ATOM 304 SD MET A 44 0.468 2.219 -9.763 1.00 0.00 S ATOM 305 CE MET A 44 -1.137 1.563 -10.211 1.00 0.00 C ATOM 0 H MET A 44 3.014 -1.635 -9.774 1.00 0.00 H new ATOM 0 HA MET A 44 2.772 1.219 -10.509 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.678 -0.004 -7.734 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.883 1.705 -8.065 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.492 -0.009 -8.869 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.519 1.192 -7.593 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.383 1.866 -11.229 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.115 0.475 -10.151 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.892 1.949 -9.526 1.00 0.00 H new ATOM 315 N ALA A 45 5.209 -0.252 -8.801 1.00 0.00 N ATOM 316 CA ALA A 45 6.653 -0.275 -8.542 1.00 0.00 C ATOM 317 C ALA A 45 7.065 -1.611 -7.906 1.00 0.00 C ATOM 318 O ALA A 45 6.216 -2.452 -7.615 1.00 0.00 O ATOM 319 CB ALA A 45 7.036 0.909 -7.634 1.00 0.00 C ATOM 0 H ALA A 45 4.683 -0.851 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 45 7.187 -0.177 -9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.109 0.889 -7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.772 1.845 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.498 0.832 -6.689 1.00 0.00 H new ATOM 325 N THR A 46 8.363 -1.778 -7.648 1.00 0.00 N ATOM 326 CA THR A 46 8.977 -2.965 -7.068 1.00 0.00 C ATOM 327 C THR A 46 9.910 -2.506 -5.940 1.00 0.00 C ATOM 328 O THR A 46 11.012 -2.027 -6.208 1.00 0.00 O ATOM 329 CB THR A 46 9.713 -3.715 -8.194 1.00 0.00 C ATOM 330 OG1 THR A 46 8.776 -4.233 -9.128 1.00 0.00 O ATOM 331 CG2 THR A 46 10.608 -4.852 -7.703 1.00 0.00 C ATOM 0 H THR A 46 9.047 -1.049 -7.850 1.00 0.00 H new ATOM 0 HA THR A 46 8.249 -3.652 -6.636 1.00 0.00 H new ATOM 0 HB THR A 46 10.366 -2.979 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.512 -3.526 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.090 -5.330 -8.556 1.00 0.00 H new ATOM 0 HG22 THR A 46 11.369 -4.452 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.004 -5.586 -7.170 1.00 0.00 H new ATOM 339 N ARG A 47 9.471 -2.610 -4.680 1.00 0.00 N ATOM 340 CA ARG A 47 10.244 -2.288 -3.475 1.00 0.00 C ATOM 341 C ARG A 47 9.820 -3.248 -2.361 1.00 0.00 C ATOM 342 O ARG A 47 8.940 -4.081 -2.589 1.00 0.00 O ATOM 343 CB ARG A 47 10.009 -0.821 -3.055 1.00 0.00 C ATOM 344 CG ARG A 47 10.503 0.250 -4.049 1.00 0.00 C ATOM 345 CD ARG A 47 12.029 0.198 -4.218 1.00 0.00 C ATOM 346 NE ARG A 47 12.511 1.181 -5.195 1.00 0.00 N ATOM 347 CZ ARG A 47 13.782 1.407 -5.539 1.00 0.00 C ATOM 348 NH1 ARG A 47 14.761 0.617 -5.112 1.00 0.00 N ATOM 349 NH2 ARG A 47 14.058 2.429 -6.334 1.00 0.00 N ATOM 0 H ARG A 47 8.528 -2.934 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 47 11.309 -2.403 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.941 -0.676 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.501 -0.654 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.023 0.100 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.208 1.239 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.506 0.381 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.324 -0.802 -4.535 1.00 0.00 H new ATOM 0 HE ARG A 47 11.803 1.750 -5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.548 -0.179 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.725 0.806 -5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.306 3.029 -6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.023 2.617 -6.607 1.00 0.00 H new ATOM 363 N ASP A 48 10.478 -3.196 -1.196 1.00 0.00 N ATOM 364 CA ASP A 48 10.113 -4.077 -0.083 1.00 0.00 C ATOM 365 C ASP A 48 8.736 -3.710 0.464 1.00 0.00 C ATOM 366 O ASP A 48 8.283 -2.561 0.366 1.00 0.00 O ATOM 367 CB ASP A 48 11.169 -4.154 1.035 1.00 0.00 C ATOM 368 CG ASP A 48 11.902 -5.486 0.934 1.00 0.00 C ATOM 369 OD1 ASP A 48 11.273 -6.530 1.221 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.058 -5.491 0.451 1.00 0.00 O ATOM 0 H ASP A 48 11.254 -2.563 -1.002 1.00 0.00 H new ATOM 0 HA ASP A 48 10.071 -5.085 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.875 -3.328 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.692 -4.060 2.011 1.00 0.00 H new ATOM 376 N VAL A 49 8.066 -4.691 1.055 1.00 0.00 N ATOM 377 CA VAL A 49 6.726 -4.581 1.593 1.00 0.00 C ATOM 378 C VAL A 49 6.719 -5.250 2.962 1.00 0.00 C ATOM 379 O VAL A 49 6.852 -6.465 3.066 1.00 0.00 O ATOM 380 CB VAL A 49 5.703 -5.224 0.632 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.273 -4.944 1.119 1.00 0.00 C ATOM 382 CG2 VAL A 49 5.825 -4.840 -0.854 1.00 0.00 C ATOM 0 H VAL A 49 8.463 -5.623 1.175 1.00 0.00 H new ATOM 0 HA VAL A 49 6.436 -3.536 1.700 1.00 0.00 H new ATOM 0 HB VAL A 49 5.940 -6.287 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.559 -5.402 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.140 -5.364 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.104 -3.868 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.053 -5.354 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.701 -3.763 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.808 -5.131 -1.226 1.00 0.00 H new ATOM 392 N THR A 50 6.558 -4.475 4.026 1.00 0.00 N ATOM 393 CA THR A 50 6.370 -4.983 5.379 1.00 0.00 C ATOM 394 C THR A 50 4.868 -5.135 5.558 1.00 0.00 C ATOM 395 O THR A 50 4.115 -4.173 5.371 1.00 0.00 O ATOM 396 CB THR A 50 6.944 -4.005 6.418 1.00 0.00 C ATOM 397 OG1 THR A 50 8.226 -3.576 6.007 1.00 0.00 O ATOM 398 CG2 THR A 50 7.034 -4.631 7.817 1.00 0.00 C ATOM 0 H THR A 50 6.554 -3.456 3.972 1.00 0.00 H new ATOM 0 HA THR A 50 6.890 -5.930 5.524 1.00 0.00 H new ATOM 0 HB THR A 50 6.264 -3.156 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.856 -4.324 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.445 -3.902 8.516 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.039 -4.929 8.147 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.682 -5.507 7.783 1.00 0.00 H new ATOM 406 N PHE A 51 4.405 -6.317 5.949 1.00 0.00 N ATOM 407 CA PHE A 51 3.017 -6.646 6.159 1.00 0.00 C ATOM 408 C PHE A 51 2.990 -7.500 7.412 1.00 0.00 C ATOM 409 O PHE A 51 3.900 -8.297 7.658 1.00 0.00 O ATOM 410 CB PHE A 51 2.397 -7.348 4.933 1.00 0.00 C ATOM 411 CG PHE A 51 3.094 -8.600 4.429 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.476 -8.611 4.141 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.348 -9.771 4.236 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.144 -9.799 3.804 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.014 -10.958 3.885 1.00 0.00 C ATOM 416 CZ PHE A 51 4.391 -10.968 3.663 1.00 0.00 C ATOM 0 H PHE A 51 5.026 -7.105 6.135 1.00 0.00 H new ATOM 0 HA PHE A 51 2.404 -5.754 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.367 -7.609 5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.359 -6.629 4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.031 -7.686 4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.275 -9.761 4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.214 -9.809 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.452 -11.875 3.786 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.880 -11.888 3.379 1.00 0.00 H new ATOM 426 N ASN A 52 1.986 -7.240 8.230 1.00 0.00 N ATOM 427 CA ASN A 52 1.798 -7.726 9.587 1.00 0.00 C ATOM 428 C ASN A 52 0.308 -7.943 9.764 1.00 0.00 C ATOM 429 O ASN A 52 -0.477 -7.547 8.900 1.00 0.00 O ATOM 430 CB ASN A 52 2.294 -6.708 10.623 1.00 0.00 C ATOM 431 CG ASN A 52 1.588 -5.361 10.501 1.00 0.00 C ATOM 432 OD1 ASN A 52 0.713 -5.025 11.291 1.00 0.00 O ATOM 433 ND2 ASN A 52 1.974 -4.562 9.521 1.00 0.00 N ATOM 0 H ASN A 52 1.218 -6.634 7.939 1.00 0.00 H new ATOM 0 HA ASN A 52 2.367 -8.643 9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.137 -7.108 11.625 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.368 -6.564 10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.542 -3.645 9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.704 -4.863 8.875 1.00 0.00 H new ATOM 440 N THR A 53 -0.076 -8.630 10.830 1.00 0.00 N ATOM 441 CA THR A 53 -1.445 -9.083 10.961 1.00 0.00 C ATOM 442 C THR A 53 -2.336 -7.886 11.317 1.00 0.00 C ATOM 443 O THR A 53 -1.933 -6.976 12.053 1.00 0.00 O ATOM 444 CB THR A 53 -1.531 -10.270 11.938 1.00 0.00 C ATOM 445 OG1 THR A 53 -0.391 -11.117 11.811 1.00 0.00 O ATOM 446 CG2 THR A 53 -2.760 -11.114 11.629 1.00 0.00 C ATOM 0 H THR A 53 0.536 -8.882 11.606 1.00 0.00 H new ATOM 0 HA THR A 53 -1.821 -9.475 10.016 1.00 0.00 H new ATOM 0 HB THR A 53 -1.583 -9.859 12.946 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.466 -11.863 12.442 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.811 -11.951 12.326 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.656 -10.502 11.730 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.693 -11.494 10.610 1.00 0.00 H new ATOM 454 N GLY A 54 -3.543 -7.905 10.769 1.00 0.00 N ATOM 455 CA GLY A 54 -4.625 -6.960 10.909 1.00 0.00 C ATOM 456 C GLY A 54 -5.866 -7.708 10.458 1.00 0.00 C ATOM 457 O GLY A 54 -6.284 -8.642 11.144 1.00 0.00 O ATOM 0 H GLY A 54 -3.809 -8.670 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.722 -6.622 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.455 -6.074 10.298 1.00 0.00 H new ATOM 461 N ASP A 55 -6.427 -7.344 9.308 1.00 0.00 N ATOM 462 CA ASP A 55 -7.691 -7.873 8.817 1.00 0.00 C ATOM 463 C ASP A 55 -7.703 -7.803 7.293 1.00 0.00 C ATOM 464 O ASP A 55 -7.771 -6.713 6.738 1.00 0.00 O ATOM 465 CB ASP A 55 -8.837 -7.047 9.416 1.00 0.00 C ATOM 466 CG ASP A 55 -10.165 -7.393 8.753 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.482 -8.601 8.637 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.881 -6.468 8.302 1.00 0.00 O ATOM 0 H ASP A 55 -6.005 -6.659 8.681 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.816 -8.914 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.902 -7.233 10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.629 -5.985 9.289 1.00 0.00 H new ATOM 474 N SER A 56 -7.585 -8.946 6.617 1.00 0.00 N ATOM 475 CA SER A 56 -7.633 -9.110 5.164 1.00 0.00 C ATOM 476 C SER A 56 -7.885 -10.598 4.865 1.00 0.00 C ATOM 477 O SER A 56 -8.014 -11.397 5.796 1.00 0.00 O ATOM 478 CB SER A 56 -6.301 -8.640 4.536 1.00 0.00 C ATOM 479 OG SER A 56 -6.404 -7.331 4.014 1.00 0.00 O ATOM 0 H SER A 56 -7.445 -9.835 7.098 1.00 0.00 H new ATOM 0 HA SER A 56 -8.433 -8.507 4.734 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.513 -8.671 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.011 -9.327 3.741 1.00 0.00 H new ATOM 0 HG SER A 56 -5.781 -7.228 3.265 1.00 0.00 H new ATOM 485 N GLU A 57 -7.892 -10.981 3.586 1.00 0.00 N ATOM 486 CA GLU A 57 -7.895 -12.351 3.068 1.00 0.00 C ATOM 487 C GLU A 57 -6.931 -13.243 3.864 1.00 0.00 C ATOM 488 O GLU A 57 -7.358 -14.163 4.560 1.00 0.00 O ATOM 489 CB GLU A 57 -7.519 -12.291 1.573 1.00 0.00 C ATOM 490 CG GLU A 57 -7.220 -13.654 0.927 1.00 0.00 C ATOM 491 CD GLU A 57 -8.448 -14.553 0.847 1.00 0.00 C ATOM 492 OE1 GLU A 57 -9.090 -14.606 -0.223 1.00 0.00 O ATOM 493 OE2 GLU A 57 -8.764 -15.242 1.842 1.00 0.00 O ATOM 0 H GLU A 57 -7.896 -10.294 2.832 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.884 -12.796 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.334 -11.817 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.644 -11.651 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.825 -13.496 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.442 -14.159 1.500 1.00 0.00 H new ATOM 501 N GLN A 58 -5.630 -12.959 3.782 1.00 0.00 N ATOM 502 CA GLN A 58 -4.599 -13.656 4.545 1.00 0.00 C ATOM 503 C GLN A 58 -4.420 -13.034 5.934 1.00 0.00 C ATOM 504 O GLN A 58 -3.388 -13.215 6.556 1.00 0.00 O ATOM 505 CB GLN A 58 -3.308 -13.750 3.725 1.00 0.00 C ATOM 506 CG GLN A 58 -3.465 -14.927 2.745 1.00 0.00 C ATOM 507 CD GLN A 58 -2.288 -15.086 1.812 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.840 -13.985 1.260 1.00 0.00 O flip ATOM 509 NE2 GLN A 58 -1.822 -16.181 1.513 1.00 0.00 N flip ATOM 0 H GLN A 58 -5.260 -12.228 3.175 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.915 -14.682 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.130 -12.821 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.450 -13.907 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.598 -15.848 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.370 -14.782 2.156 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.184 -17.027 1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.073 -16.245 0.824 1.00 0.00 H new ATOM 518 N GLY A 59 -5.342 -12.199 6.411 1.00 0.00 N ATOM 519 CA GLY A 59 -5.272 -11.555 7.720 1.00 0.00 C ATOM 520 C GLY A 59 -4.177 -10.491 7.829 1.00 0.00 C ATOM 521 O GLY A 59 -4.211 -9.678 8.741 1.00 0.00 O ATOM 0 H GLY A 59 -6.178 -11.946 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.235 -11.095 7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.102 -12.317 8.481 1.00 0.00 H new ATOM 525 N ILE A 60 -3.215 -10.457 6.909 1.00 0.00 N ATOM 526 CA ILE A 60 -2.073 -9.559 6.894 1.00 0.00 C ATOM 527 C ILE A 60 -2.309 -8.418 5.923 1.00 0.00 C ATOM 528 O ILE A 60 -2.932 -8.578 4.869 1.00 0.00 O ATOM 529 CB ILE A 60 -0.764 -10.306 6.568 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.886 -11.279 5.370 1.00 0.00 C ATOM 531 CG2 ILE A 60 -0.243 -10.960 7.850 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.283 -12.257 5.261 1.00 0.00 C ATOM 0 H ILE A 60 -3.216 -11.093 6.111 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.963 -9.142 7.895 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.023 -9.585 6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.814 -11.843 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.954 -10.702 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.683 -11.493 7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.055 -10.192 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.986 -11.662 8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.133 -12.909 4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.212 -11.701 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.339 -12.860 6.167 1.00 0.00 H new ATOM 544 N VAL A 61 -1.743 -7.274 6.276 1.00 0.00 N ATOM 545 CA VAL A 61 -2.005 -5.978 5.688 1.00 0.00 C ATOM 546 C VAL A 61 -0.658 -5.250 5.566 1.00 0.00 C ATOM 547 O VAL A 61 0.156 -5.317 6.493 1.00 0.00 O ATOM 548 CB VAL A 61 -3.020 -5.220 6.574 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.453 -5.727 6.353 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.701 -5.349 8.074 1.00 0.00 C ATOM 0 H VAL A 61 -1.050 -7.227 7.023 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.448 -6.054 4.695 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.940 -4.175 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.138 -5.171 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.733 -5.583 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.506 -6.787 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.443 -4.799 8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.723 -6.400 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.710 -4.939 8.272 1.00 0.00 H new ATOM 560 N PRO A 62 -0.357 -4.608 4.427 1.00 0.00 N ATOM 561 CA PRO A 62 0.916 -3.946 4.208 1.00 0.00 C ATOM 562 C PRO A 62 0.909 -2.555 4.834 1.00 0.00 C ATOM 563 O PRO A 62 -0.033 -1.777 4.673 1.00 0.00 O ATOM 564 CB PRO A 62 1.073 -3.922 2.688 1.00 0.00 C ATOM 565 CG PRO A 62 -0.370 -3.735 2.208 1.00 0.00 C ATOM 566 CD PRO A 62 -1.167 -4.558 3.219 1.00 0.00 C ATOM 0 HA PRO A 62 1.758 -4.456 4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.719 -3.107 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.510 -4.847 2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.667 -2.686 2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.509 -4.099 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.135 -4.099 3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.361 -5.561 2.838 1.00 0.00 H new ATOM 574 N CYS A 63 2.008 -2.211 5.502 1.00 0.00 N ATOM 575 CA CYS A 63 2.293 -0.848 5.908 1.00 0.00 C ATOM 576 C CYS A 63 2.574 -0.037 4.648 1.00 0.00 C ATOM 577 O CYS A 63 3.659 -0.136 4.073 1.00 0.00 O ATOM 578 CB CYS A 63 3.485 -0.789 6.861 1.00 0.00 C ATOM 579 SG CYS A 63 3.037 -0.923 8.609 1.00 0.00 S ATOM 0 H CYS A 63 2.728 -2.880 5.776 1.00 0.00 H new ATOM 0 HA CYS A 63 1.438 -0.437 6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.177 -1.593 6.611 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.017 0.149 6.704 1.00 0.00 H new ATOM 0 HG CYS A 63 4.112 -0.865 9.338 1.00 0.00 H new ATOM 585 N LEU A 64 1.590 0.748 4.228 1.00 0.00 N ATOM 586 CA LEU A 64 1.664 1.713 3.139 1.00 0.00 C ATOM 587 C LEU A 64 1.432 3.076 3.768 1.00 0.00 C ATOM 588 O LEU A 64 0.895 3.148 4.875 1.00 0.00 O ATOM 589 CB LEU A 64 0.602 1.387 2.079 1.00 0.00 C ATOM 590 CG LEU A 64 0.703 -0.054 1.542 1.00 0.00 C ATOM 591 CD1 LEU A 64 -0.427 -0.326 0.550 1.00 0.00 C ATOM 592 CD2 LEU A 64 2.059 -0.337 0.896 1.00 0.00 C ATOM 0 H LEU A 64 0.667 0.727 4.663 1.00 0.00 H new ATOM 0 HA LEU A 64 2.628 1.689 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.389 1.540 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.701 2.085 1.248 1.00 0.00 H new ATOM 0 HG LEU A 64 0.606 -0.727 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.346 -1.347 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.388 -0.197 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.355 0.372 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.082 -1.365 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.214 0.346 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.850 -0.195 1.633 1.00 0.00 H new ATOM 604 N THR A 65 1.830 4.151 3.095 1.00 0.00 N ATOM 605 CA THR A 65 1.808 5.487 3.682 1.00 0.00 C ATOM 606 C THR A 65 1.262 6.496 2.688 1.00 0.00 C ATOM 607 O THR A 65 1.022 6.145 1.539 1.00 0.00 O ATOM 608 CB THR A 65 3.211 5.852 4.190 1.00 0.00 C ATOM 609 OG1 THR A 65 4.139 6.007 3.133 1.00 0.00 O ATOM 610 CG2 THR A 65 3.746 4.794 5.151 1.00 0.00 C ATOM 0 H THR A 65 2.174 4.122 2.135 1.00 0.00 H new ATOM 0 HA THR A 65 1.136 5.502 4.540 1.00 0.00 H new ATOM 0 HB THR A 65 3.103 6.804 4.709 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.990 6.336 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.740 5.082 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.078 4.710 6.008 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.802 3.833 4.640 1.00 0.00 H new ATOM 618 N ARG A 66 1.060 7.759 3.078 1.00 0.00 N ATOM 619 CA ARG A 66 0.482 8.747 2.163 1.00 0.00 C ATOM 620 C ARG A 66 1.330 8.903 0.906 1.00 0.00 C ATOM 621 O ARG A 66 0.782 8.954 -0.196 1.00 0.00 O ATOM 622 CB ARG A 66 0.377 10.117 2.861 1.00 0.00 C ATOM 623 CG ARG A 66 -0.835 10.217 3.781 1.00 0.00 C ATOM 624 CD ARG A 66 -0.841 11.461 4.681 1.00 0.00 C ATOM 625 NE ARG A 66 -0.845 12.748 3.967 1.00 0.00 N ATOM 626 CZ ARG A 66 0.250 13.505 3.998 1.00 0.00 C ATOM 627 NH1 ARG A 66 0.585 14.249 5.043 1.00 0.00 N ATOM 628 NH2 ARG A 66 1.055 13.455 2.956 1.00 0.00 N ATOM 0 H ARG A 66 1.284 8.117 4.006 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.508 8.391 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.283 10.296 3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.321 10.901 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.740 10.218 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.874 9.327 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.718 11.419 5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.034 11.426 5.329 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.673 13.055 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.007 14.258 5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.435 14.812 5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.829 12.852 2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.904 14.020 2.940 1.00 0.00 H new ATOM 642 N ALA A 67 2.651 8.994 1.075 1.00 0.00 N ATOM 643 CA ALA A 67 3.606 9.056 -0.020 1.00 0.00 C ATOM 644 C ALA A 67 3.446 7.854 -0.943 1.00 0.00 C ATOM 645 O ALA A 67 3.459 8.002 -2.168 1.00 0.00 O ATOM 646 CB ALA A 67 5.022 9.072 0.555 1.00 0.00 C ATOM 0 H ALA A 67 3.089 9.027 1.996 1.00 0.00 H new ATOM 0 HA ALA A 67 3.424 9.962 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.745 9.118 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.144 9.943 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.189 8.165 1.137 1.00 0.00 H new ATOM 652 N GLN A 68 3.327 6.668 -0.347 1.00 0.00 N ATOM 653 CA GLN A 68 3.250 5.425 -1.080 1.00 0.00 C ATOM 654 C GLN A 68 1.933 5.321 -1.825 1.00 0.00 C ATOM 655 O GLN A 68 1.918 5.112 -3.028 1.00 0.00 O ATOM 656 CB GLN A 68 3.463 4.238 -0.120 1.00 0.00 C ATOM 657 CG GLN A 68 4.375 3.199 -0.773 1.00 0.00 C ATOM 658 CD GLN A 68 5.710 3.806 -1.202 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.358 4.557 -0.335 1.00 0.00 O flip ATOM 660 NE2 GLN A 68 6.100 3.672 -2.360 1.00 0.00 N flip ATOM 0 H GLN A 68 3.282 6.552 0.665 1.00 0.00 H new ATOM 0 HA GLN A 68 4.042 5.400 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.905 4.588 0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.504 3.786 0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.555 2.382 -0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.875 2.771 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.578 3.084 -3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.946 4.149 -2.672 1.00 0.00 H new ATOM 669 N LEU A 69 0.821 5.490 -1.124 1.00 0.00 N ATOM 670 CA LEU A 69 -0.511 5.297 -1.657 1.00 0.00 C ATOM 671 C LEU A 69 -0.761 6.169 -2.883 1.00 0.00 C ATOM 672 O LEU A 69 -1.321 5.708 -3.877 1.00 0.00 O ATOM 673 CB LEU A 69 -1.543 5.535 -0.553 1.00 0.00 C ATOM 674 CG LEU A 69 -1.532 4.446 0.538 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.426 4.867 1.703 1.00 0.00 C ATOM 676 CD2 LEU A 69 -2.022 3.097 0.003 1.00 0.00 C ATOM 0 H LEU A 69 0.825 5.772 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.609 4.267 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.354 6.504 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.537 5.583 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.500 4.331 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.413 4.092 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.057 5.802 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.446 5.007 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.998 2.358 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.043 3.201 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.374 2.771 -0.811 1.00 0.00 H new ATOM 688 N ALA A 70 -0.326 7.427 -2.853 1.00 0.00 N ATOM 689 CA ALA A 70 -0.467 8.307 -4.004 1.00 0.00 C ATOM 690 C ALA A 70 0.378 7.863 -5.202 1.00 0.00 C ATOM 691 O ALA A 70 0.000 8.155 -6.331 1.00 0.00 O ATOM 692 CB ALA A 70 -0.080 9.704 -3.582 1.00 0.00 C ATOM 0 H ALA A 70 0.125 7.856 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.505 8.272 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.178 10.381 -4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.735 10.035 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.953 9.706 -3.234 1.00 0.00 H new ATOM 698 N SER A 71 1.457 7.108 -4.977 1.00 0.00 N ATOM 699 CA SER A 71 2.235 6.423 -6.009 1.00 0.00 C ATOM 700 C SER A 71 1.411 5.344 -6.726 1.00 0.00 C ATOM 701 O SER A 71 1.857 4.822 -7.743 1.00 0.00 O ATOM 702 CB SER A 71 3.476 5.795 -5.351 1.00 0.00 C ATOM 703 OG SER A 71 4.617 5.757 -6.179 1.00 0.00 O ATOM 0 H SER A 71 1.824 6.953 -4.038 1.00 0.00 H new ATOM 0 HA SER A 71 2.532 7.151 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.716 6.355 -4.447 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.233 4.779 -5.041 1.00 0.00 H new ATOM 0 HG SER A 71 5.362 5.347 -5.691 1.00 0.00 H new ATOM 709 N MET A 72 0.228 5.000 -6.209 1.00 0.00 N ATOM 710 CA MET A 72 -0.708 4.071 -6.821 1.00 0.00 C ATOM 711 C MET A 72 -1.964 4.795 -7.314 1.00 0.00 C ATOM 712 O MET A 72 -2.846 4.158 -7.897 1.00 0.00 O ATOM 713 CB MET A 72 -1.085 2.959 -5.837 1.00 0.00 C ATOM 714 CG MET A 72 0.080 2.304 -5.093 1.00 0.00 C ATOM 715 SD MET A 72 -0.178 2.055 -3.330 1.00 0.00 S ATOM 716 CE MET A 72 1.567 1.860 -2.910 1.00 0.00 C ATOM 0 H MET A 72 -0.110 5.377 -5.323 1.00 0.00 H new ATOM 0 HA MET A 72 -0.216 3.622 -7.684 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.776 3.370 -5.101 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.624 2.185 -6.383 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.287 1.338 -5.553 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.969 2.919 -5.230 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.697 1.974 -1.834 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.906 0.870 -3.214 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.153 2.619 -3.428 1.00 0.00 H new ATOM 726 N GLY A 73 -2.063 6.105 -7.069 1.00 0.00 N ATOM 727 CA GLY A 73 -3.133 6.956 -7.565 1.00 0.00 C ATOM 728 C GLY A 73 -4.192 7.258 -6.515 1.00 0.00 C ATOM 729 O GLY A 73 -5.318 7.585 -6.870 1.00 0.00 O ATOM 0 H GLY A 73 -1.380 6.610 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.707 7.893 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.606 6.474 -8.421 1.00 0.00 H new ATOM 733 N LEU A 74 -3.888 7.126 -5.224 1.00 0.00 N ATOM 734 CA LEU A 74 -4.829 7.346 -4.124 1.00 0.00 C ATOM 735 C LEU A 74 -4.820 8.786 -3.622 1.00 0.00 C ATOM 736 O LEU A 74 -3.782 9.358 -3.282 1.00 0.00 O ATOM 737 CB LEU A 74 -4.464 6.374 -3.021 1.00 0.00 C ATOM 738 CG LEU A 74 -5.122 6.492 -1.641 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.387 7.458 -0.708 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.611 6.771 -1.528 1.00 0.00 C ATOM 0 H LEU A 74 -2.957 6.856 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.846 7.172 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.671 5.370 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.386 6.443 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.022 5.450 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.901 7.498 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.364 7.112 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.372 8.453 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.893 6.820 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.841 7.721 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.169 5.972 -2.017 1.00 0.00 H new ATOM 752 N ASN A 75 -6.023 9.350 -3.539 1.00 0.00 N ATOM 753 CA ASN A 75 -6.297 10.671 -3.014 1.00 0.00 C ATOM 754 C ASN A 75 -6.294 10.636 -1.491 1.00 0.00 C ATOM 755 O ASN A 75 -7.311 10.324 -0.872 1.00 0.00 O ATOM 756 CB ASN A 75 -7.663 11.156 -3.521 1.00 0.00 C ATOM 757 CG ASN A 75 -7.828 12.650 -3.323 1.00 0.00 C ATOM 758 OD1 ASN A 75 -7.099 13.305 -2.581 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.740 13.241 -4.068 1.00 0.00 N ATOM 0 H ASN A 75 -6.867 8.870 -3.852 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.523 11.358 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.767 10.914 -4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.457 10.628 -2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.848 14.255 -4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.338 12.685 -4.679 1.00 0.00 H new ATOM 766 N THR A 76 -5.153 10.935 -0.865 1.00 0.00 N ATOM 767 CA THR A 76 -5.055 10.953 0.592 1.00 0.00 C ATOM 768 C THR A 76 -6.043 11.962 1.172 1.00 0.00 C ATOM 769 O THR A 76 -6.671 11.712 2.197 1.00 0.00 O ATOM 770 CB THR A 76 -3.595 11.219 1.021 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.178 12.539 0.716 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.580 10.300 0.333 1.00 0.00 C ATOM 0 H THR A 76 -4.285 11.168 -1.347 1.00 0.00 H new ATOM 0 HA THR A 76 -5.329 9.978 0.996 1.00 0.00 H new ATOM 0 HB THR A 76 -3.608 11.037 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.199 12.582 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.576 10.542 0.681 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.807 9.262 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.634 10.442 -0.746 1.00 0.00 H new ATOM 780 N ALA A 77 -6.279 13.062 0.462 1.00 0.00 N ATOM 781 CA ALA A 77 -7.245 14.069 0.804 1.00 0.00 C ATOM 782 C ALA A 77 -8.608 13.675 0.243 1.00 0.00 C ATOM 783 O ALA A 77 -9.321 14.513 -0.317 1.00 0.00 O ATOM 784 CB ALA A 77 -6.733 15.412 0.283 1.00 0.00 C ATOM 0 H ALA A 77 -5.775 13.272 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.375 14.161 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.450 16.195 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.773 15.640 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.611 15.360 -0.799 1.00 0.00 H new ATOM 790 N SER A 78 -8.968 12.401 0.383 1.00 0.00 N ATOM 791 CA SER A 78 -10.349 11.989 0.364 1.00 0.00 C ATOM 792 C SER A 78 -10.655 10.920 1.417 1.00 0.00 C ATOM 793 O SER A 78 -11.813 10.812 1.804 1.00 0.00 O ATOM 794 CB SER A 78 -10.801 11.584 -1.052 1.00 0.00 C ATOM 795 OG SER A 78 -12.078 12.145 -1.274 1.00 0.00 O ATOM 0 H SER A 78 -8.305 11.636 0.512 1.00 0.00 H new ATOM 0 HA SER A 78 -10.946 12.856 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.091 11.943 -1.797 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.839 10.499 -1.145 1.00 0.00 H new ATOM 0 HG SER A 78 -12.390 11.904 -2.171 1.00 0.00 H new ATOM 801 N VAL A 79 -9.693 10.137 1.928 1.00 0.00 N ATOM 802 CA VAL A 79 -9.994 9.052 2.845 1.00 0.00 C ATOM 803 C VAL A 79 -9.940 9.635 4.254 1.00 0.00 C ATOM 804 O VAL A 79 -8.869 10.015 4.735 1.00 0.00 O ATOM 805 CB VAL A 79 -9.095 7.821 2.615 1.00 0.00 C ATOM 806 CG1 VAL A 79 -9.081 7.354 1.162 1.00 0.00 C ATOM 807 CG2 VAL A 79 -7.659 7.917 3.098 1.00 0.00 C ATOM 0 H VAL A 79 -8.701 10.244 1.715 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.993 8.652 2.672 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.586 7.087 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.430 6.485 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.092 7.086 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.710 8.157 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.137 6.986 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.159 8.743 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.648 8.091 4.174 1.00 0.00 H new ATOM 817 N ALA A 80 -11.121 9.799 4.850 1.00 0.00 N ATOM 818 CA ALA A 80 -11.380 10.368 6.163 1.00 0.00 C ATOM 819 C ALA A 80 -10.291 11.324 6.662 1.00 0.00 C ATOM 820 O ALA A 80 -10.235 12.479 6.230 1.00 0.00 O ATOM 821 CB ALA A 80 -11.691 9.256 7.175 1.00 0.00 C ATOM 0 H ALA A 80 -11.984 9.514 4.388 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.262 11.000 6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.883 9.697 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.571 8.702 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.840 8.578 7.243 1.00 0.00 H new ATOM 827 N GLY A 81 -9.440 10.816 7.560 1.00 0.00 N ATOM 828 CA GLY A 81 -8.442 11.537 8.317 1.00 0.00 C ATOM 829 C GLY A 81 -7.032 11.149 7.944 1.00 0.00 C ATOM 830 O GLY A 81 -6.134 11.240 8.783 1.00 0.00 O ATOM 0 H GLY A 81 -9.440 9.821 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.574 12.607 8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.596 11.353 9.380 1.00 0.00 H new ATOM 834 N MET A 82 -6.800 10.736 6.702 1.00 0.00 N ATOM 835 CA MET A 82 -5.433 10.512 6.273 1.00 0.00 C ATOM 836 C MET A 82 -4.629 11.819 6.353 1.00 0.00 C ATOM 837 O MET A 82 -3.453 11.812 6.691 1.00 0.00 O ATOM 838 CB MET A 82 -5.444 9.904 4.885 1.00 0.00 C ATOM 839 CG MET A 82 -4.051 9.474 4.458 1.00 0.00 C ATOM 840 SD MET A 82 -4.036 8.421 2.985 1.00 0.00 S ATOM 841 CE MET A 82 -4.485 6.863 3.780 1.00 0.00 C ATOM 0 H MET A 82 -7.517 10.556 5.999 1.00 0.00 H new ATOM 0 HA MET A 82 -4.934 9.806 6.937 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.113 9.044 4.868 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.838 10.628 4.172 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.449 10.362 4.266 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.577 8.940 5.281 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.548 6.076 3.029 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.728 6.600 4.519 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.451 6.971 4.273 1.00 0.00 H new ATOM 851 N ASN A 83 -5.271 12.964 6.125 1.00 0.00 N ATOM 852 CA ASN A 83 -4.634 14.285 6.152 1.00 0.00 C ATOM 853 C ASN A 83 -4.100 14.671 7.527 1.00 0.00 C ATOM 854 O ASN A 83 -3.388 15.665 7.631 1.00 0.00 O ATOM 855 CB ASN A 83 -5.621 15.377 5.728 1.00 0.00 C ATOM 856 CG ASN A 83 -6.335 14.970 4.473 1.00 0.00 C ATOM 857 OD1 ASN A 83 -5.785 15.118 3.385 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.486 14.339 4.638 1.00 0.00 N ATOM 0 H ASN A 83 -6.268 13.003 5.912 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.798 14.210 5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.343 15.554 6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.090 16.315 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.969 13.941 3.833 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.890 14.251 5.570 1.00 0.00 H new ATOM 865 N LEU A 84 -4.499 13.950 8.575 1.00 0.00 N ATOM 866 CA LEU A 84 -4.110 14.219 9.951 1.00 0.00 C ATOM 867 C LEU A 84 -2.792 13.502 10.286 1.00 0.00 C ATOM 868 O LEU A 84 -2.226 13.751 11.352 1.00 0.00 O ATOM 869 CB LEU A 84 -5.213 13.735 10.920 1.00 0.00 C ATOM 870 CG LEU A 84 -6.688 13.868 10.474 1.00 0.00 C ATOM 871 CD1 LEU A 84 -7.561 13.049 11.422 1.00 0.00 C ATOM 872 CD2 LEU A 84 -7.251 15.277 10.338 1.00 0.00 C ATOM 0 H LEU A 84 -5.117 13.144 8.484 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.972 15.294 10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.025 12.684 11.140 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.098 14.282 11.856 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.703 13.491 9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.605 13.133 11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.256 12.003 11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.446 13.425 12.439 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.292 15.224 10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.191 15.787 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.673 15.830 9.598 1.00 0.00 H new ATOM 884 N LEU A 85 -2.337 12.573 9.432 1.00 0.00 N ATOM 885 CA LEU A 85 -1.233 11.648 9.689 1.00 0.00 C ATOM 886 C LEU A 85 0.119 12.361 9.501 1.00 0.00 C ATOM 887 O LEU A 85 0.275 13.541 9.833 1.00 0.00 O ATOM 888 CB LEU A 85 -1.354 10.389 8.833 1.00 0.00 C ATOM 889 CG LEU A 85 -2.676 9.584 8.914 1.00 0.00 C ATOM 890 CD1 LEU A 85 -2.286 8.124 8.729 1.00 0.00 C ATOM 891 CD2 LEU A 85 -3.474 9.696 10.220 1.00 0.00 C ATOM 0 H LEU A 85 -2.748 12.444 8.507 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.286 11.320 10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.199 10.675 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.537 9.720 9.104 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.338 9.996 8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.179 7.500 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.805 7.996 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.595 7.829 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.375 9.087 10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.863 9.344 11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.751 10.737 10.389 1.00 0.00 H new ATOM 903 N ALA A 86 1.100 11.677 8.916 1.00 0.00 N ATOM 904 CA ALA A 86 2.373 12.200 8.462 1.00 0.00 C ATOM 905 C ALA A 86 2.581 11.758 7.016 1.00 0.00 C ATOM 906 O ALA A 86 1.915 10.822 6.564 1.00 0.00 O ATOM 907 CB ALA A 86 3.478 11.636 9.350 1.00 0.00 C ATOM 0 H ALA A 86 1.014 10.676 8.738 1.00 0.00 H new ATOM 0 HA ALA A 86 2.392 13.288 8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.443 12.021 9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.302 11.935 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.480 10.548 9.282 1.00 0.00 H new ATOM 913 N ASP A 87 3.545 12.363 6.320 1.00 0.00 N ATOM 914 CA ASP A 87 3.791 12.100 4.898 1.00 0.00 C ATOM 915 C ASP A 87 4.155 10.651 4.636 1.00 0.00 C ATOM 916 O ASP A 87 3.830 10.108 3.576 1.00 0.00 O ATOM 917 CB ASP A 87 4.855 13.044 4.316 1.00 0.00 C ATOM 918 CG ASP A 87 4.395 14.500 4.296 1.00 0.00 C ATOM 919 OD1 ASP A 87 3.242 14.764 3.890 1.00 0.00 O ATOM 920 OD2 ASP A 87 5.175 15.369 4.744 1.00 0.00 O ATOM 0 H ASP A 87 4.179 13.051 6.726 1.00 0.00 H new ATOM 0 HA ASP A 87 2.851 12.299 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.769 12.963 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.100 12.729 3.301 1.00 0.00 H new ATOM 926 N ASP A 88 4.757 10.017 5.634 1.00 0.00 N ATOM 927 CA ASP A 88 5.132 8.622 5.622 1.00 0.00 C ATOM 928 C ASP A 88 4.669 7.974 6.936 1.00 0.00 C ATOM 929 O ASP A 88 5.415 7.328 7.668 1.00 0.00 O ATOM 930 CB ASP A 88 6.623 8.543 5.324 1.00 0.00 C ATOM 931 CG ASP A 88 7.100 7.101 5.173 1.00 0.00 C ATOM 932 OD1 ASP A 88 6.363 6.306 4.532 1.00 0.00 O ATOM 933 OD2 ASP A 88 8.200 6.762 5.659 1.00 0.00 O ATOM 0 H ASP A 88 5.004 10.486 6.506 1.00 0.00 H new ATOM 0 HA ASP A 88 4.641 8.045 4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.840 9.094 4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.179 9.027 6.127 1.00 0.00 H new ATOM 939 N ALA A 89 3.402 8.217 7.287 1.00 0.00 N ATOM 940 CA ALA A 89 2.697 7.479 8.324 1.00 0.00 C ATOM 941 C ALA A 89 2.105 6.214 7.732 1.00 0.00 C ATOM 942 O ALA A 89 1.370 6.297 6.745 1.00 0.00 O ATOM 943 CB ALA A 89 1.542 8.309 8.870 1.00 0.00 C ATOM 0 H ALA A 89 2.835 8.943 6.849 1.00 0.00 H new ATOM 0 HA ALA A 89 3.406 7.246 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.023 7.745 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.928 9.236 9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.847 8.541 8.063 1.00 0.00 H new ATOM 949 N CYS A 90 2.357 5.079 8.382 1.00 0.00 N ATOM 950 CA CYS A 90 1.660 3.825 8.144 1.00 0.00 C ATOM 951 C CYS A 90 0.163 4.062 8.292 1.00 0.00 C ATOM 952 O CYS A 90 -0.283 4.544 9.337 1.00 0.00 O ATOM 953 CB CYS A 90 2.183 2.756 9.102 1.00 0.00 C ATOM 954 SG CYS A 90 3.955 2.440 8.897 1.00 0.00 S ATOM 0 H CYS A 90 3.071 5.009 9.107 1.00 0.00 H new ATOM 0 HA CYS A 90 1.844 3.463 7.133 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.990 3.068 10.128 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.632 1.829 8.942 1.00 0.00 H new ATOM 0 HG CYS A 90 4.151 1.168 8.716 1.00 0.00 H new ATOM 960 N VAL A 91 -0.604 3.724 7.261 1.00 0.00 N ATOM 961 CA VAL A 91 -2.047 3.862 7.235 1.00 0.00 C ATOM 962 C VAL A 91 -2.642 2.530 6.719 1.00 0.00 C ATOM 963 O VAL A 91 -2.066 1.928 5.809 1.00 0.00 O ATOM 964 CB VAL A 91 -2.433 5.085 6.365 1.00 0.00 C ATOM 965 CG1 VAL A 91 -2.143 4.846 4.900 1.00 0.00 C ATOM 966 CG2 VAL A 91 -3.855 5.525 6.729 1.00 0.00 C ATOM 0 H VAL A 91 -0.223 3.336 6.398 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.456 4.051 8.227 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.799 5.944 6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.428 5.727 4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.078 4.654 4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.714 3.985 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.136 6.386 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.549 4.706 6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.893 5.797 7.784 1.00 0.00 H new ATOM 976 N PRO A 92 -3.770 2.050 7.267 1.00 0.00 N ATOM 977 CA PRO A 92 -4.392 0.807 6.833 1.00 0.00 C ATOM 978 C PRO A 92 -5.232 0.955 5.587 1.00 0.00 C ATOM 979 O PRO A 92 -6.157 1.777 5.551 1.00 0.00 O ATOM 980 CB PRO A 92 -5.296 0.380 7.945 1.00 0.00 C ATOM 981 CG PRO A 92 -5.656 1.670 8.682 1.00 0.00 C ATOM 982 CD PRO A 92 -4.467 2.585 8.426 1.00 0.00 C ATOM 0 HA PRO A 92 -3.604 0.091 6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.187 -0.116 7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.798 -0.327 8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.581 2.102 8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.802 1.493 9.748 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.798 3.607 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.808 2.615 9.294 1.00 0.00 H new ATOM 990 N LEU A 93 -4.985 0.092 4.602 1.00 0.00 N ATOM 991 CA LEU A 93 -5.579 0.302 3.298 1.00 0.00 C ATOM 992 C LEU A 93 -6.994 -0.244 3.139 1.00 0.00 C ATOM 993 O LEU A 93 -7.696 0.109 2.203 1.00 0.00 O ATOM 994 CB LEU A 93 -4.672 -0.246 2.200 1.00 0.00 C ATOM 995 CG LEU A 93 -5.084 0.217 0.783 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.293 1.736 0.700 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.013 -0.164 -0.229 1.00 0.00 C ATOM 0 H LEU A 93 -4.393 -0.735 4.684 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.675 1.383 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.646 0.068 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.684 -1.335 2.237 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.028 -0.280 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.581 2.009 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.080 2.033 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.366 2.246 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.316 0.168 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.071 0.313 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.884 -1.246 -0.232 1.00 0.00 H new ATOM 1009 N THR A 94 -7.420 -1.090 4.060 1.00 0.00 N ATOM 1010 CA THR A 94 -8.750 -1.677 4.070 1.00 0.00 C ATOM 1011 C THR A 94 -9.553 -1.086 5.231 1.00 0.00 C ATOM 1012 O THR A 94 -10.779 -1.125 5.240 1.00 0.00 O ATOM 1013 CB THR A 94 -8.497 -3.196 4.113 1.00 0.00 C ATOM 1014 OG1 THR A 94 -9.598 -3.974 3.729 1.00 0.00 O ATOM 1015 CG2 THR A 94 -7.960 -3.711 5.451 1.00 0.00 C ATOM 0 H THR A 94 -6.838 -1.396 4.840 1.00 0.00 H new ATOM 0 HA THR A 94 -9.369 -1.458 3.200 1.00 0.00 H new ATOM 0 HB THR A 94 -7.714 -3.320 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.361 -4.924 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 94 -7.811 -4.789 5.392 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.010 -3.225 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 94 -8.676 -3.486 6.241 1.00 0.00 H new ATOM 1023 N THR A 95 -8.872 -0.462 6.192 1.00 0.00 N ATOM 1024 CA THR A 95 -9.507 -0.081 7.443 1.00 0.00 C ATOM 1025 C THR A 95 -9.871 1.407 7.405 1.00 0.00 C ATOM 1026 O THR A 95 -10.989 1.740 7.800 1.00 0.00 O ATOM 1027 CB THR A 95 -8.590 -0.466 8.609 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.996 -1.747 8.408 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.236 -0.485 9.979 1.00 0.00 C ATOM 0 H THR A 95 -7.885 -0.213 6.124 1.00 0.00 H new ATOM 0 HA THR A 95 -10.444 -0.619 7.589 1.00 0.00 H new ATOM 0 HB THR A 95 -7.851 0.335 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.416 -1.962 9.168 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.496 -0.770 10.726 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.624 0.507 10.212 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.054 -1.205 9.986 1.00 0.00 H new ATOM 1037 N MET A 96 -8.988 2.296 6.915 1.00 0.00 N ATOM 1038 CA MET A 96 -9.264 3.735 6.892 1.00 0.00 C ATOM 1039 C MET A 96 -10.297 4.084 5.816 1.00 0.00 C ATOM 1040 O MET A 96 -11.219 4.860 6.059 1.00 0.00 O ATOM 1041 CB MET A 96 -7.972 4.544 6.688 1.00 0.00 C ATOM 1042 CG MET A 96 -8.294 6.046 6.643 1.00 0.00 C ATOM 1043 SD MET A 96 -6.863 7.145 6.751 1.00 0.00 S ATOM 1044 CE MET A 96 -6.661 7.224 8.539 1.00 0.00 C ATOM 0 H MET A 96 -8.079 2.038 6.531 1.00 0.00 H new ATOM 0 HA MET A 96 -9.683 4.005 7.861 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.272 4.338 7.498 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.485 4.240 5.761 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.826 6.259 5.716 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.974 6.280 7.462 1.00 0.00 H new ATOM 0 HE1 MET A 96 -5.814 7.866 8.781 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.566 7.631 8.990 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.480 6.223 8.929 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.080 3.571 4.610 1.00 0.00 N ATOM 1055 CA VAL A 97 -10.883 3.804 3.411 1.00 0.00 C ATOM 1056 C VAL A 97 -11.914 2.684 3.260 1.00 0.00 C ATOM 1057 O VAL A 97 -11.728 1.584 3.779 1.00 0.00 O ATOM 1058 CB VAL A 97 -9.935 3.895 2.194 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.767 2.913 2.288 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.638 3.858 0.834 1.00 0.00 C ATOM 0 H VAL A 97 -9.295 2.945 4.431 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.434 4.742 3.485 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.509 4.897 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.132 3.018 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.184 3.126 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.151 1.894 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.896 3.927 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.190 2.923 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.329 4.697 0.759 1.00 0.00 H new ATOM 1070 N GLN A 98 -12.996 2.981 2.545 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.080 2.083 2.198 1.00 0.00 C ATOM 1072 C GLN A 98 -13.820 1.388 0.861 1.00 0.00 C ATOM 1073 O GLN A 98 -13.326 2.020 -0.075 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.339 2.967 2.158 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.549 2.438 1.382 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.770 3.105 0.015 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.756 3.808 -0.198 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.875 2.951 -0.948 1.00 0.00 N ATOM 0 H GLN A 98 -13.143 3.918 2.171 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.189 1.274 2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.653 3.152 3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.060 3.930 1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.429 1.365 1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.443 2.577 1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.051 2.372 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.010 3.412 -1.848 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.256 0.129 0.742 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.206 -0.790 -0.414 1.00 0.00 C ATOM 1089 C ASP A 99 -12.823 -1.042 -1.006 1.00 0.00 C ATOM 1090 O ASP A 99 -12.666 -1.957 -1.813 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.202 -0.385 -1.505 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.530 -1.505 -2.505 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.936 -2.602 -2.070 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -15.469 -1.281 -3.743 1.00 0.00 O ATOM 0 H ASP A 99 -14.703 -0.326 1.538 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.502 -1.750 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.126 -0.053 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.799 0.468 -2.051 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.816 -0.275 -0.589 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.434 -0.578 -0.837 1.00 0.00 C ATOM 1102 C ALA A 100 -10.018 -1.793 -0.020 1.00 0.00 C ATOM 1103 O ALA A 100 -10.623 -2.100 1.013 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.625 0.650 -0.427 1.00 0.00 C ATOM 0 H ALA A 100 -11.956 0.587 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.263 -0.811 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.565 0.462 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.942 1.509 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.789 0.857 0.630 1.00 0.00 H new ATOM 1110 N THR A 101 -8.982 -2.470 -0.504 1.00 0.00 N ATOM 1111 CA THR A 101 -8.546 -3.754 0.018 1.00 0.00 C ATOM 1112 C THR A 101 -7.040 -3.898 -0.159 1.00 0.00 C ATOM 1113 O THR A 101 -6.417 -3.142 -0.917 1.00 0.00 O ATOM 1114 CB THR A 101 -9.303 -4.897 -0.692 1.00 0.00 C ATOM 1115 OG1 THR A 101 -8.885 -5.048 -2.038 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.824 -4.726 -0.729 1.00 0.00 C ATOM 0 H THR A 101 -8.415 -2.134 -1.282 1.00 0.00 H new ATOM 0 HA THR A 101 -8.772 -3.810 1.083 1.00 0.00 H new ATOM 0 HB THR A 101 -9.059 -5.772 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.349 -5.811 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.273 -5.574 -1.246 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.209 -4.676 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.074 -3.806 -1.257 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.448 -4.889 0.513 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.048 -5.233 0.354 1.00 0.00 C ATOM 1126 C ALA A 102 -4.858 -6.730 0.573 1.00 0.00 C ATOM 1127 O ALA A 102 -5.301 -7.283 1.580 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.214 -4.411 1.330 1.00 0.00 C ATOM 0 H ALA A 102 -6.939 -5.476 1.187 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.716 -5.000 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.161 -4.667 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.355 -3.350 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.529 -4.628 2.351 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.203 -7.369 -0.387 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.080 -8.808 -0.554 1.00 0.00 C ATOM 1136 C HIS A 103 -2.663 -9.092 -1.044 1.00 0.00 C ATOM 1137 O HIS A 103 -2.016 -8.259 -1.674 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.179 -9.253 -1.553 1.00 0.00 C ATOM 1139 CG HIS A 103 -5.076 -10.646 -2.130 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.077 -11.093 -2.952 1.00 0.00 N flip ATOM 1141 CD2 HIS A 103 -6.018 -11.652 -2.046 1.00 0.00 C flip ATOM 1142 CE1 HIS A 103 -4.376 -12.400 -3.327 1.00 0.00 C flip ATOM 1143 NE2 HIS A 103 -5.558 -12.693 -2.763 1.00 0.00 N flip ATOM 0 H HIS A 103 -3.710 -6.858 -1.120 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.227 -9.369 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.143 -9.167 -1.052 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.186 -8.545 -2.382 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.952 -11.611 -1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.776 -13.049 -3.948 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -6.042 -13.585 -2.864 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.186 -10.301 -0.778 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.869 -10.777 -1.154 1.00 0.00 C ATOM 1154 C LEU A 104 -1.070 -11.998 -2.043 1.00 0.00 C ATOM 1155 O LEU A 104 -1.606 -13.013 -1.593 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.082 -11.065 0.130 1.00 0.00 C ATOM 1157 CG LEU A 104 0.930 -12.212 0.018 1.00 0.00 C ATOM 1158 CD1 LEU A 104 2.015 -11.984 -1.027 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.619 -12.366 1.343 1.00 0.00 C ATOM 0 H LEU A 104 -2.730 -11.001 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.288 -10.049 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.447 -10.159 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.787 -11.298 0.928 1.00 0.00 H new ATOM 0 HG LEU A 104 0.363 -13.094 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.690 -12.840 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.556 -11.865 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.577 -11.084 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.344 -13.178 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.133 -11.439 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.881 -12.593 2.112 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.652 -11.897 -3.303 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.475 -13.062 -4.161 1.00 0.00 C ATOM 1173 C ASP A 105 0.888 -13.661 -3.822 1.00 0.00 C ATOM 1174 O ASP A 105 1.921 -13.211 -4.325 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.557 -12.694 -5.652 1.00 0.00 C ATOM 1176 CG ASP A 105 -0.947 -13.934 -6.457 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -0.242 -14.965 -6.343 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -1.984 -13.896 -7.162 1.00 0.00 O ATOM 0 H ASP A 105 -0.428 -11.010 -3.754 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.274 -13.782 -3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.291 -11.902 -5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.403 -12.309 -5.997 1.00 0.00 H new ATOM 1184 N VAL A 106 0.944 -14.599 -2.878 1.00 0.00 N ATOM 1185 CA VAL A 106 2.207 -15.255 -2.557 1.00 0.00 C ATOM 1186 C VAL A 106 2.544 -16.252 -3.660 1.00 0.00 C ATOM 1187 O VAL A 106 3.722 -16.541 -3.860 1.00 0.00 O ATOM 1188 CB VAL A 106 2.156 -15.877 -1.144 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.796 -17.362 -1.127 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.507 -15.713 -0.433 1.00 0.00 C ATOM 0 H VAL A 106 0.144 -14.917 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 106 3.018 -14.528 -2.523 1.00 0.00 H new ATOM 0 HB VAL A 106 1.363 -15.336 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.782 -17.721 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.812 -17.503 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.537 -17.923 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.451 -16.157 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.285 -16.212 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.745 -14.653 -0.344 1.00 0.00 H new ATOM 1200 N GLY A 107 1.547 -16.750 -4.406 1.00 0.00 N ATOM 1201 CA GLY A 107 1.784 -17.730 -5.444 1.00 0.00 C ATOM 1202 C GLY A 107 2.665 -17.134 -6.533 1.00 0.00 C ATOM 1203 O GLY A 107 3.575 -17.804 -7.020 1.00 0.00 O ATOM 0 H GLY A 107 0.569 -16.481 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.263 -18.612 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.836 -18.056 -5.870 1.00 0.00 H new ATOM 1207 N GLN A 108 2.450 -15.859 -6.858 1.00 0.00 N ATOM 1208 CA GLN A 108 3.124 -15.147 -7.936 1.00 0.00 C ATOM 1209 C GLN A 108 4.134 -14.126 -7.420 1.00 0.00 C ATOM 1210 O GLN A 108 4.831 -13.503 -8.224 1.00 0.00 O ATOM 1211 CB GLN A 108 2.060 -14.485 -8.814 1.00 0.00 C ATOM 1212 CG GLN A 108 1.162 -15.512 -9.513 1.00 0.00 C ATOM 1213 CD GLN A 108 1.803 -16.037 -10.790 1.00 0.00 C ATOM 1214 OE1 GLN A 108 2.741 -16.823 -10.732 1.00 0.00 O ATOM 1215 NE2 GLN A 108 1.314 -15.632 -11.950 1.00 0.00 N ATOM 0 H GLN A 108 1.778 -15.276 -6.359 1.00 0.00 H new ATOM 0 HA GLN A 108 3.702 -15.861 -8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.445 -13.825 -8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.547 -13.861 -9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.963 -16.343 -8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.201 -15.056 -9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.532 -14.977 -11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.718 -15.975 -12.821 1.00 0.00 H new ATOM 1224 N GLN A 109 4.239 -13.963 -6.096 1.00 0.00 N ATOM 1225 CA GLN A 109 4.925 -12.852 -5.455 1.00 0.00 C ATOM 1226 C GLN A 109 4.440 -11.527 -6.041 1.00 0.00 C ATOM 1227 O GLN A 109 5.131 -10.914 -6.851 1.00 0.00 O ATOM 1228 CB GLN A 109 6.450 -13.019 -5.562 1.00 0.00 C ATOM 1229 CG GLN A 109 7.044 -13.861 -4.436 1.00 0.00 C ATOM 1230 CD GLN A 109 8.544 -13.588 -4.349 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.253 -13.585 -5.351 1.00 0.00 O ATOM 1232 NE2 GLN A 109 9.047 -13.275 -3.169 1.00 0.00 N ATOM 0 H GLN A 109 3.836 -14.622 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 109 4.684 -12.846 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.692 -13.481 -6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.918 -12.035 -5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.562 -13.618 -3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.864 -14.920 -4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.450 -13.280 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.033 -13.028 -3.084 1.00 0.00 H new ATOM 1241 N ARG A 110 3.262 -11.068 -5.620 1.00 0.00 N ATOM 1242 CA ARG A 110 2.725 -9.754 -5.981 1.00 0.00 C ATOM 1243 C ARG A 110 1.942 -9.207 -4.800 1.00 0.00 C ATOM 1244 O ARG A 110 1.364 -9.967 -4.021 1.00 0.00 O ATOM 1245 CB ARG A 110 1.910 -9.885 -7.283 1.00 0.00 C ATOM 1246 CG ARG A 110 1.147 -8.636 -7.742 1.00 0.00 C ATOM 1247 CD ARG A 110 0.093 -8.983 -8.804 1.00 0.00 C ATOM 1248 NE ARG A 110 0.703 -9.254 -10.110 1.00 0.00 N ATOM 1249 CZ ARG A 110 0.083 -9.275 -11.291 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.236 -9.161 -11.391 1.00 0.00 N ATOM 1251 NH2 ARG A 110 0.807 -9.411 -12.390 1.00 0.00 N ATOM 0 H ARG A 110 2.645 -11.605 -5.010 1.00 0.00 H new ATOM 0 HA ARG A 110 3.513 -9.031 -6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.589 -10.183 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.192 -10.696 -7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.662 -8.168 -6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.849 -7.908 -8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.475 -9.855 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.614 -8.159 -8.897 1.00 0.00 H new ATOM 0 HE ARG A 110 1.705 -9.446 -10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.804 -9.054 -10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.681 -9.181 -12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.821 -9.498 -12.325 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.351 -9.429 -13.302 1.00 0.00 H new ATOM 1265 N LEU A 111 1.944 -7.886 -4.636 1.00 0.00 N ATOM 1266 CA LEU A 111 1.071 -7.208 -3.692 1.00 0.00 C ATOM 1267 C LEU A 111 -0.119 -6.662 -4.462 1.00 0.00 C ATOM 1268 O LEU A 111 0.087 -5.814 -5.321 1.00 0.00 O ATOM 1269 CB LEU A 111 1.824 -6.098 -2.952 1.00 0.00 C ATOM 1270 CG LEU A 111 0.956 -5.494 -1.838 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.743 -6.474 -0.683 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.632 -4.214 -1.352 1.00 0.00 C ATOM 0 H LEU A 111 2.555 -7.257 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 111 0.722 -7.906 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.743 -6.499 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.114 -5.318 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.034 -5.271 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.124 -6.006 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.246 -7.370 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.707 -6.745 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.034 -3.765 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.625 -4.450 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.721 -3.512 -2.181 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.330 -7.151 -4.197 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.552 -6.796 -4.909 1.00 0.00 C ATOM 1286 C ASN A 112 -3.429 -5.923 -4.021 1.00 0.00 C ATOM 1287 O ASN A 112 -3.879 -6.382 -2.974 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.324 -8.067 -5.304 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.307 -8.326 -6.803 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -3.356 -7.412 -7.626 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -3.250 -9.588 -7.192 1.00 0.00 N ATOM 0 H ASN A 112 -1.490 -7.830 -3.453 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.287 -6.246 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -2.892 -8.924 -4.787 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.357 -7.979 -4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.246 -9.816 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.210 -10.334 -6.498 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.680 -4.676 -4.398 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.552 -3.758 -3.680 1.00 0.00 C ATOM 1300 C LEU A 113 -5.722 -3.358 -4.580 1.00 0.00 C ATOM 1301 O LEU A 113 -5.615 -3.411 -5.812 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.802 -2.483 -3.262 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.383 -2.559 -2.674 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -2.222 -3.571 -1.544 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -1.314 -2.705 -3.760 1.00 0.00 C ATOM 0 H LEU A 113 -3.270 -4.264 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.908 -4.267 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.750 -1.840 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.425 -1.971 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.221 -1.593 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.192 -3.559 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.892 -3.311 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.467 -4.568 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.329 -2.755 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.494 -3.618 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.357 -1.847 -4.430 1.00 0.00 H new ATOM 1317 N THR A 114 -6.771 -2.805 -3.973 1.00 0.00 N ATOM 1318 CA THR A 114 -7.898 -2.179 -4.663 1.00 0.00 C ATOM 1319 C THR A 114 -8.162 -0.839 -4.002 1.00 0.00 C ATOM 1320 O THR A 114 -8.055 -0.755 -2.778 1.00 0.00 O ATOM 1321 CB THR A 114 -9.152 -3.054 -4.537 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.812 -4.402 -4.755 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.253 -2.641 -5.514 1.00 0.00 C ATOM 0 H THR A 114 -6.863 -2.779 -2.957 1.00 0.00 H new ATOM 0 HA THR A 114 -7.662 -2.056 -5.720 1.00 0.00 H new ATOM 0 HB THR A 114 -9.542 -2.919 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.692 -4.853 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.118 -3.292 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.543 -1.608 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.884 -2.728 -6.536 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.501 0.194 -4.777 1.00 0.00 N ATOM 1332 CA ILE A 115 -8.931 1.499 -4.287 1.00 0.00 C ATOM 1333 C ILE A 115 -10.028 2.009 -5.241 1.00 0.00 C ATOM 1334 O ILE A 115 -9.764 2.129 -6.439 1.00 0.00 O ATOM 1335 CB ILE A 115 -7.726 2.469 -4.185 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.679 1.946 -3.168 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.197 3.875 -3.775 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.396 2.770 -3.090 1.00 0.00 C ATOM 0 H ILE A 115 -8.482 0.140 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.339 1.429 -3.279 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.258 2.525 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.136 1.917 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.420 0.920 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.337 4.542 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.895 4.256 -4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -8.693 3.824 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.724 2.329 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -4.909 2.779 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.637 3.791 -2.796 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.257 2.294 -4.771 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.303 2.890 -5.600 1.00 0.00 C ATOM 1352 C PRO A 116 -11.918 4.270 -6.139 1.00 0.00 C ATOM 1353 O PRO A 116 -11.236 5.034 -5.455 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.531 3.026 -4.697 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.281 2.025 -3.582 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.765 2.017 -3.440 1.00 0.00 C ATOM 0 HA PRO A 116 -12.481 2.260 -6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -13.630 4.040 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.450 2.800 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.769 2.327 -2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.665 1.037 -3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.432 2.771 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.409 1.054 -3.075 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.484 4.650 -7.292 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.380 5.994 -7.872 1.00 0.00 C ATOM 1366 C GLN A 117 -12.820 7.098 -6.907 1.00 0.00 C ATOM 1367 O GLN A 117 -12.311 8.220 -6.974 1.00 0.00 O ATOM 1368 CB GLN A 117 -13.235 6.063 -9.150 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.498 5.524 -10.375 1.00 0.00 C ATOM 1370 CD GLN A 117 -11.468 6.521 -10.898 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -11.788 7.416 -11.675 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -10.222 6.405 -10.478 1.00 0.00 N ATOM 0 H GLN A 117 -13.042 4.014 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.328 6.167 -8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.152 5.493 -9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.528 7.097 -9.332 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.001 4.588 -10.118 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -13.217 5.297 -11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.969 5.657 -9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.512 7.063 -10.799 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.695 6.750 -5.963 1.00 0.00 N ATOM 1382 CA ALA A 118 -14.181 7.621 -4.904 1.00 0.00 C ATOM 1383 C ALA A 118 -13.052 8.185 -4.034 1.00 0.00 C ATOM 1384 O ALA A 118 -13.302 9.112 -3.261 1.00 0.00 O ATOM 1385 CB ALA A 118 -15.191 6.855 -4.043 1.00 0.00 C ATOM 0 H ALA A 118 -14.098 5.814 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.663 8.478 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.558 7.504 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.027 6.533 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.707 5.982 -3.604 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.830 7.653 -4.129 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.691 8.100 -3.349 1.00 0.00 C ATOM 1393 C PHE A 119 -9.404 8.092 -4.177 1.00 0.00 C ATOM 1394 O PHE A 119 -8.357 7.742 -3.653 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.531 7.219 -2.105 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.769 7.053 -1.250 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.102 7.988 -0.255 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.553 5.904 -1.406 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.168 7.741 0.624 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.611 5.645 -0.524 1.00 0.00 C ATOM 1401 CZ PHE A 119 -13.923 6.562 0.492 1.00 0.00 C ATOM 0 H PHE A 119 -11.609 6.886 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.877 9.129 -3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -10.197 6.231 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.738 7.639 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.534 8.902 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -12.342 5.214 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.408 8.454 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -14.188 4.738 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.740 6.363 1.170 1.00 0.00 H new ATOM 1411 N MET A 120 -9.403 8.480 -5.450 1.00 0.00 N ATOM 1412 CA MET A 120 -8.203 8.391 -6.289 1.00 0.00 C ATOM 1413 C MET A 120 -7.812 9.776 -6.812 1.00 0.00 C ATOM 1414 O MET A 120 -8.651 10.555 -7.249 1.00 0.00 O ATOM 1415 CB MET A 120 -8.442 7.430 -7.457 1.00 0.00 C ATOM 1416 CG MET A 120 -8.328 5.974 -6.996 1.00 0.00 C ATOM 1417 SD MET A 120 -8.292 4.748 -8.325 1.00 0.00 S ATOM 1418 CE MET A 120 -6.541 4.883 -8.789 1.00 0.00 C ATOM 0 H MET A 120 -10.220 8.860 -5.927 1.00 0.00 H new ATOM 0 HA MET A 120 -7.384 8.006 -5.682 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.431 7.605 -7.881 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.717 7.624 -8.247 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.421 5.868 -6.400 1.00 0.00 H new ATOM 0 HG3 MET A 120 -9.169 5.750 -6.339 1.00 0.00 H new ATOM 0 HE1 MET A 120 -6.327 4.193 -9.605 1.00 0.00 H new ATOM 0 HE2 MET A 120 -6.327 5.902 -9.111 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.917 4.635 -7.930 1.00 0.00 H new ATOM 1428 N SER A 121 -6.532 10.113 -6.711 1.00 0.00 N ATOM 1429 CA SER A 121 -5.839 11.304 -7.183 1.00 0.00 C ATOM 1430 C SER A 121 -4.365 10.915 -7.058 1.00 0.00 C ATOM 1431 O SER A 121 -4.012 10.199 -6.125 1.00 0.00 O ATOM 1432 CB SER A 121 -6.146 12.509 -6.283 1.00 0.00 C ATOM 1433 OG SER A 121 -5.828 13.783 -6.821 1.00 0.00 O ATOM 0 H SER A 121 -5.880 9.484 -6.242 1.00 0.00 H new ATOM 0 HA SER A 121 -6.132 11.596 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.208 12.494 -6.039 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.602 12.386 -5.346 1.00 0.00 H new ATOM 0 HG SER A 121 -6.063 14.480 -6.173 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.461 11.448 -7.868 1.00 0.00 N ATOM 1440 CA ASN A 122 -2.018 11.229 -7.702 1.00 0.00 C ATOM 1441 C ASN A 122 -1.445 11.911 -6.440 1.00 0.00 C ATOM 1442 O ASN A 122 -0.241 12.147 -6.326 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.300 11.784 -8.934 1.00 0.00 C ATOM 1444 CG ASN A 122 0.106 11.205 -9.025 1.00 0.00 C ATOM 1445 OD1 ASN A 122 0.271 9.991 -9.062 1.00 0.00 O ATOM 1446 ND2 ASN A 122 1.133 12.039 -9.029 1.00 0.00 N ATOM 0 H ASN A 122 -3.700 12.045 -8.660 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.858 10.157 -7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.862 11.537 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.251 12.871 -8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 122 2.085 11.675 -9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 122 0.972 13.046 -8.998 1.00 0.00 H new ATOM 1453 N ARG A 123 -2.288 12.402 -5.531 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.934 13.480 -4.620 1.00 0.00 C ATOM 1455 C ARG A 123 -1.579 12.914 -3.257 1.00 0.00 C ATOM 1456 O ARG A 123 -2.480 12.633 -2.463 1.00 0.00 O ATOM 1457 CB ARG A 123 -3.061 14.524 -4.598 1.00 0.00 C ATOM 1458 CG ARG A 123 -2.589 15.792 -3.878 1.00 0.00 C ATOM 1459 CD ARG A 123 -3.542 16.975 -4.106 1.00 0.00 C ATOM 1460 NE ARG A 123 -3.155 17.727 -5.312 1.00 0.00 N ATOM 1461 CZ ARG A 123 -2.123 18.575 -5.402 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -1.535 19.029 -4.300 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -1.698 18.943 -6.604 1.00 0.00 N ATOM 0 H ARG A 123 -3.240 12.058 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 123 -1.041 14.002 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -3.363 14.766 -5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -3.937 14.115 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -2.508 15.593 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -1.592 16.058 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -4.564 16.611 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -3.526 17.635 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.721 17.590 -6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -1.870 18.731 -3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -0.749 19.675 -4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.156 18.581 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -0.913 19.588 -6.692 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.285 12.784 -2.955 1.00 0.00 N ATOM 1478 CA ALA A 124 0.144 12.404 -1.612 1.00 0.00 C ATOM 1479 C ALA A 124 -0.188 13.480 -0.590 1.00 0.00 C ATOM 1480 O ALA A 124 -0.428 13.129 0.568 1.00 0.00 O ATOM 1481 CB ALA A 124 1.646 12.136 -1.549 1.00 0.00 C ATOM 0 H ALA A 124 0.476 12.935 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.400 11.490 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.923 11.856 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.900 11.324 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.189 13.036 -1.839 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.182 14.765 -0.988 1.00 0.00 N ATOM 1488 CA ARG A 125 -0.151 15.905 -0.058 1.00 0.00 C ATOM 1489 C ARG A 125 1.102 15.827 0.826 1.00 0.00 C ATOM 1490 O ARG A 125 1.074 16.199 1.995 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.490 16.003 0.714 1.00 0.00 C ATOM 1492 CG ARG A 125 -2.380 17.164 0.258 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.896 18.508 0.810 1.00 0.00 C ATOM 1494 NE ARG A 125 -2.108 18.648 2.261 1.00 0.00 N ATOM 1495 CZ ARG A 125 -1.662 19.662 3.015 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -1.203 20.776 2.455 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -1.691 19.569 4.337 1.00 0.00 N ATOM 0 H ARG A 125 -0.199 15.042 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.065 16.845 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -2.038 15.068 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.279 16.115 1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.395 17.203 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.405 16.986 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.834 18.622 0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.416 19.315 0.294 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.637 17.913 2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.187 20.867 1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.867 21.540 3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.053 18.725 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.351 20.341 4.910 1.00 0.00 H new ATOM 1511 N GLY A 126 2.185 15.294 0.266 1.00 0.00 N ATOM 1512 CA GLY A 126 3.462 15.040 0.898 1.00 0.00 C ATOM 1513 C GLY A 126 4.416 14.657 -0.212 1.00 0.00 C ATOM 1514 O GLY A 126 4.816 15.536 -0.971 1.00 0.00 O ATOM 0 H GLY A 126 2.185 15.010 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.817 15.924 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.380 14.240 1.633 1.00 0.00 H new ATOM 1518 N TYR A 127 4.596 13.342 -0.401 1.00 0.00 N ATOM 1519 CA TYR A 127 5.565 12.644 -1.255 1.00 0.00 C ATOM 1520 C TYR A 127 6.857 12.479 -0.471 1.00 0.00 C ATOM 1521 O TYR A 127 7.374 13.437 0.097 1.00 0.00 O ATOM 1522 CB TYR A 127 5.814 13.350 -2.605 1.00 0.00 C ATOM 1523 CG TYR A 127 6.769 12.660 -3.560 1.00 0.00 C ATOM 1524 CD1 TYR A 127 8.153 12.665 -3.293 1.00 0.00 C ATOM 1525 CD2 TYR A 127 6.298 12.107 -4.764 1.00 0.00 C ATOM 1526 CE1 TYR A 127 9.063 12.103 -4.202 1.00 0.00 C ATOM 1527 CE2 TYR A 127 7.204 11.567 -5.693 1.00 0.00 C ATOM 1528 CZ TYR A 127 8.589 11.570 -5.422 1.00 0.00 C ATOM 1529 OH TYR A 127 9.439 11.055 -6.349 1.00 0.00 O ATOM 0 H TYR A 127 4.005 12.673 0.092 1.00 0.00 H new ATOM 0 HA TYR A 127 5.150 11.671 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.855 13.472 -3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.197 14.350 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 127 8.518 13.107 -2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 127 5.239 12.097 -4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 127 10.118 12.078 -3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.838 11.148 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 127 8.927 10.736 -7.121 1.00 0.00 H new ATOM 1539 N ILE A 128 7.363 11.249 -0.445 1.00 0.00 N ATOM 1540 CA ILE A 128 8.619 10.832 0.159 1.00 0.00 C ATOM 1541 C ILE A 128 9.198 9.809 -0.818 1.00 0.00 C ATOM 1542 O ILE A 128 8.439 8.969 -1.316 1.00 0.00 O ATOM 1543 CB ILE A 128 8.366 10.258 1.575 1.00 0.00 C ATOM 1544 CG1 ILE A 128 8.001 11.391 2.554 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.497 9.393 2.160 1.00 0.00 C ATOM 1546 CD1 ILE A 128 9.127 12.383 2.877 1.00 0.00 C ATOM 0 H ILE A 128 6.871 10.466 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 128 9.323 11.650 0.311 1.00 0.00 H new ATOM 0 HB ILE A 128 7.530 9.570 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 128 7.160 11.947 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.658 10.943 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 128 9.212 9.045 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.672 8.535 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.409 9.986 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 128 8.760 13.136 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 128 9.964 11.849 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.458 12.869 1.959 1.00 0.00 H new ATOM 1558 N PRO A 129 10.496 9.885 -1.147 1.00 0.00 N ATOM 1559 CA PRO A 129 11.107 9.014 -2.138 1.00 0.00 C ATOM 1560 C PRO A 129 11.310 7.600 -1.567 1.00 0.00 C ATOM 1561 O PRO A 129 11.322 7.409 -0.344 1.00 0.00 O ATOM 1562 CB PRO A 129 12.428 9.700 -2.500 1.00 0.00 C ATOM 1563 CG PRO A 129 12.812 10.454 -1.230 1.00 0.00 C ATOM 1564 CD PRO A 129 11.471 10.798 -0.577 1.00 0.00 C ATOM 0 HA PRO A 129 10.485 8.876 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 129 13.191 8.974 -2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 129 12.308 10.377 -3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.429 9.840 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 129 13.386 11.352 -1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.525 10.684 0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.196 11.834 -0.775 1.00 0.00 H new ATOM 1572 N PRO A 130 11.512 6.585 -2.423 1.00 0.00 N ATOM 1573 CA PRO A 130 11.658 5.203 -1.987 1.00 0.00 C ATOM 1574 C PRO A 130 12.963 4.950 -1.228 1.00 0.00 C ATOM 1575 O PRO A 130 13.127 3.868 -0.670 1.00 0.00 O ATOM 1576 CB PRO A 130 11.549 4.345 -3.247 1.00 0.00 C ATOM 1577 CG PRO A 130 11.973 5.298 -4.357 1.00 0.00 C ATOM 1578 CD PRO A 130 11.474 6.652 -3.870 1.00 0.00 C ATOM 0 HA PRO A 130 10.879 4.949 -1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 130 12.199 3.472 -3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 130 10.534 3.978 -3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 130 13.054 5.295 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 130 11.526 5.025 -5.313 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.105 7.459 -4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 130 10.463 6.848 -4.227 1.00 0.00 H new ATOM 1586 N GLU A 131 13.878 5.920 -1.199 1.00 0.00 N ATOM 1587 CA GLU A 131 15.121 5.878 -0.447 1.00 0.00 C ATOM 1588 C GLU A 131 14.942 6.332 1.008 1.00 0.00 C ATOM 1589 O GLU A 131 15.876 6.201 1.790 1.00 0.00 O ATOM 1590 CB GLU A 131 16.137 6.791 -1.154 1.00 0.00 C ATOM 1591 CG GLU A 131 17.567 6.239 -1.084 1.00 0.00 C ATOM 1592 CD GLU A 131 18.085 5.812 -2.457 1.00 0.00 C ATOM 1593 OE1 GLU A 131 19.122 6.345 -2.917 1.00 0.00 O ATOM 1594 OE2 GLU A 131 17.450 4.933 -3.088 1.00 0.00 O ATOM 0 H GLU A 131 13.763 6.789 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 131 15.471 4.846 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.848 6.912 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 131 16.110 7.781 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 131 18.229 6.999 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 131 17.593 5.386 -0.406 1.00 0.00 H new ATOM 1602 N LEU A 132 13.780 6.891 1.369 1.00 0.00 N ATOM 1603 CA LEU A 132 13.545 7.480 2.692 1.00 0.00 C ATOM 1604 C LEU A 132 12.361 6.864 3.414 1.00 0.00 C ATOM 1605 O LEU A 132 12.323 6.859 4.647 1.00 0.00 O ATOM 1606 CB LEU A 132 13.298 8.988 2.569 1.00 0.00 C ATOM 1607 CG LEU A 132 14.561 9.822 2.327 1.00 0.00 C ATOM 1608 CD1 LEU A 132 14.153 11.292 2.228 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.558 9.670 3.474 1.00 0.00 C ATOM 0 H LEU A 132 12.973 6.947 0.748 1.00 0.00 H new ATOM 0 HA LEU A 132 14.444 7.277 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.600 9.163 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.815 9.340 3.481 1.00 0.00 H new ATOM 0 HG LEU A 132 15.037 9.476 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 132 15.038 11.904 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 132 13.456 11.421 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.674 11.600 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.442 10.274 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 132 15.097 10.003 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.848 8.623 3.568 1.00 0.00 H new ATOM 1621 N TRP A 133 11.398 6.343 2.663 1.00 0.00 N ATOM 1622 CA TRP A 133 10.406 5.422 3.202 1.00 0.00 C ATOM 1623 C TRP A 133 11.010 4.026 3.422 1.00 0.00 C ATOM 1624 O TRP A 133 10.339 3.152 3.966 1.00 0.00 O ATOM 1625 CB TRP A 133 9.197 5.405 2.261 1.00 0.00 C ATOM 1626 CG TRP A 133 8.915 4.118 1.566 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.711 3.498 0.671 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.808 3.212 1.809 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.129 2.318 0.269 1.00 0.00 N ATOM 1630 CE2 TRP A 133 7.948 2.092 0.942 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.681 3.258 2.649 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 6.989 1.078 0.896 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.720 2.235 2.628 1.00 0.00 C ATOM 1634 CH2 TRP A 133 5.871 1.159 1.744 1.00 0.00 C ATOM 0 H TRP A 133 11.283 6.546 1.670 1.00 0.00 H new ATOM 0 HA TRP A 133 10.073 5.758 4.184 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.313 5.684 2.835 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.342 6.177 1.505 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.662 3.872 0.322 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.520 1.692 -0.435 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.553 4.094 3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.105 0.244 0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.868 2.277 3.290 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.120 0.383 1.714 1.00 0.00 H new ATOM 1645 N ASP A 134 12.243 3.826 2.937 1.00 0.00 N ATOM 1646 CA ASP A 134 12.987 2.587 2.778 1.00 0.00 C ATOM 1647 C ASP A 134 12.721 1.581 3.904 1.00 0.00 C ATOM 1648 O ASP A 134 13.333 1.689 4.963 1.00 0.00 O ATOM 1649 CB ASP A 134 14.483 2.882 2.568 1.00 0.00 C ATOM 1650 CG ASP A 134 15.217 3.623 3.691 1.00 0.00 C ATOM 1651 OD1 ASP A 134 14.683 4.602 4.263 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.403 3.287 3.920 1.00 0.00 O ATOM 0 H ASP A 134 12.796 4.620 2.614 1.00 0.00 H new ATOM 0 HA ASP A 134 12.622 2.093 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 134 14.994 1.934 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.587 3.467 1.654 1.00 0.00 H new ATOM 1658 N PRO A 135 11.800 0.613 3.700 1.00 0.00 N ATOM 1659 CA PRO A 135 11.302 -0.207 4.789 1.00 0.00 C ATOM 1660 C PRO A 135 12.405 -1.162 5.247 1.00 0.00 C ATOM 1661 O PRO A 135 12.958 -0.977 6.332 1.00 0.00 O ATOM 1662 CB PRO A 135 10.044 -0.909 4.263 1.00 0.00 C ATOM 1663 CG PRO A 135 10.189 -0.862 2.744 1.00 0.00 C ATOM 1664 CD PRO A 135 11.011 0.397 2.497 1.00 0.00 C ATOM 0 HA PRO A 135 11.030 0.369 5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.981 -1.935 4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.138 -0.400 4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.693 -1.750 2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.218 -0.809 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.655 0.276 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.364 1.251 2.298 1.00 0.00 H new ATOM 1672 N GLY A 136 12.768 -2.150 4.421 1.00 0.00 N ATOM 1673 CA GLY A 136 13.884 -3.036 4.703 1.00 0.00 C ATOM 1674 C GLY A 136 14.485 -3.467 3.384 1.00 0.00 C ATOM 1675 O GLY A 136 14.274 -4.601 2.965 1.00 0.00 O ATOM 0 H GLY A 136 12.292 -2.351 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.630 -2.527 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.547 -3.904 5.270 1.00 0.00 H new ATOM 1679 N ILE A 137 15.155 -2.543 2.692 1.00 0.00 N ATOM 1680 CA ILE A 137 15.647 -2.754 1.341 1.00 0.00 C ATOM 1681 C ILE A 137 16.875 -3.656 1.423 1.00 0.00 C ATOM 1682 O ILE A 137 17.999 -3.162 1.417 1.00 0.00 O ATOM 1683 CB ILE A 137 15.926 -1.415 0.616 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.673 -0.512 0.602 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.401 -1.685 -0.826 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.915 0.815 -0.124 1.00 0.00 C ATOM 0 H ILE A 137 15.371 -1.618 3.064 1.00 0.00 H new ATOM 0 HA ILE A 137 14.887 -3.247 0.735 1.00 0.00 H new ATOM 0 HB ILE A 137 16.711 -0.892 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 137 13.852 -1.042 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.363 -0.310 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.595 -0.737 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.316 -2.277 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.629 -2.231 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.003 1.412 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.717 1.361 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.198 0.618 -1.158 1.00 0.00 H new