USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 518 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 102 HIS : no HE2:sc= -2.71! C(o=-0.45!,f=-9.5!) USER MOD Set 1.2: A 105 ASN : amide:sc= 2.26 K(o=-0.45,f=-8.7!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.0076) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 70:sc= 0.112 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.383! C(o=-0.38!,f=-5.8!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.895 K(o=0.89,f=-5.2!) USER MOD Single : A 108 LYS NZ :NH3+ -149:sc= 1.09 (180deg=-0.752!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 137:sc= 0.649 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 30:sc= -0.211 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 154:sc= -1.41 (180deg=-3.44!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -67:sc= 1.21 USER MOD Single : A 131 LYS NZ :NH3+ -170:sc= 0.644 (180deg=0.549) USER MOD Single : A 136 SER OG : rot 77:sc= 1.14 USER MOD Single : A 138 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.21) USER MOD Single : A 143 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 75 16.681 9.643 2.584 1.00 0.00 N ATOM 2 CA GLY A 75 15.751 10.629 1.998 1.00 0.00 C ATOM 3 C GLY A 75 14.303 10.231 2.197 1.00 0.00 C ATOM 4 O GLY A 75 14.027 9.108 2.623 1.00 0.00 O ATOM 0 HA2 GLY A 75 15.924 11.605 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.956 10.732 0.932 1.00 0.00 H new ATOM 10 N PRO A 76 13.352 11.129 1.892 1.00 0.00 N ATOM 11 CA PRO A 76 11.925 10.852 2.045 1.00 0.00 C ATOM 12 C PRO A 76 11.371 9.998 0.901 1.00 0.00 C ATOM 13 O PRO A 76 10.968 10.518 -0.148 1.00 0.00 O ATOM 14 CB PRO A 76 11.295 12.244 2.029 1.00 0.00 C ATOM 15 CG PRO A 76 12.216 13.066 1.187 1.00 0.00 C ATOM 16 CD PRO A 76 13.600 12.493 1.375 1.00 0.00 C ATOM 0 HA PRO A 76 11.713 10.282 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.290 12.219 1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.209 12.652 3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.920 13.028 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.186 14.113 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.154 12.470 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.186 13.086 2.077 1.00 0.00 H new ATOM 24 N LEU A 77 11.365 8.691 1.099 1.00 0.00 N ATOM 25 CA LEU A 77 10.878 7.772 0.086 1.00 0.00 C ATOM 26 C LEU A 77 9.705 6.950 0.600 1.00 0.00 C ATOM 27 O LEU A 77 9.873 6.032 1.403 1.00 0.00 O ATOM 28 CB LEU A 77 11.996 6.837 -0.424 1.00 0.00 C ATOM 29 CG LEU A 77 12.998 7.431 -1.437 1.00 0.00 C ATOM 30 CD1 LEU A 77 12.276 8.119 -2.586 1.00 0.00 C ATOM 31 CD2 LEU A 77 13.978 8.380 -0.764 1.00 0.00 C ATOM 0 H LEU A 77 11.693 8.242 1.954 1.00 0.00 H new ATOM 0 HA LEU A 77 10.535 8.380 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.558 6.479 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.527 5.966 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 77 13.573 6.602 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.008 8.527 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.645 7.397 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.657 8.927 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.668 8.779 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.430 9.201 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.539 7.842 -0.000 1.00 0.00 H new ATOM 43 N GLY A 78 8.525 7.297 0.143 1.00 0.00 N ATOM 44 CA GLY A 78 7.332 6.554 0.485 1.00 0.00 C ATOM 45 C GLY A 78 6.517 6.298 -0.756 1.00 0.00 C ATOM 46 O GLY A 78 5.391 5.817 -0.695 1.00 0.00 O ATOM 0 H GLY A 78 8.364 8.095 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.603 5.608 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.741 7.112 1.211 1.00 0.00 H new ATOM 50 N SER A 79 7.125 6.606 -1.893 1.00 0.00 N ATOM 51 CA SER A 79 6.482 6.489 -3.187 1.00 0.00 C ATOM 52 C SER A 79 6.420 5.034 -3.635 1.00 0.00 C ATOM 53 O SER A 79 5.620 4.671 -4.498 1.00 0.00 O ATOM 54 CB SER A 79 7.233 7.327 -4.218 1.00 0.00 C ATOM 55 OG SER A 79 7.391 8.662 -3.764 1.00 0.00 O ATOM 0 H SER A 79 8.085 6.946 -1.940 1.00 0.00 H new ATOM 0 HA SER A 79 5.461 6.860 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.211 6.885 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.690 7.321 -5.163 1.00 0.00 H new ATOM 0 HG SER A 79 7.876 9.182 -4.439 1.00 0.00 H new ATOM 61 N ASP A 80 7.278 4.209 -3.051 1.00 0.00 N ATOM 62 CA ASP A 80 7.363 2.803 -3.396 1.00 0.00 C ATOM 63 C ASP A 80 7.675 1.999 -2.150 1.00 0.00 C ATOM 64 O ASP A 80 8.805 2.012 -1.655 1.00 0.00 O ATOM 65 CB ASP A 80 8.453 2.585 -4.453 1.00 0.00 C ATOM 66 CG ASP A 80 8.647 1.126 -4.832 1.00 0.00 C ATOM 67 OD1 ASP A 80 7.938 0.638 -5.728 1.00 0.00 O ATOM 68 OD2 ASP A 80 9.547 0.467 -4.266 1.00 0.00 O ATOM 0 H ASP A 80 7.933 4.499 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 80 6.409 2.473 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.199 3.154 -5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.396 2.983 -4.079 1.00 0.00 H new ATOM 73 N LEU A 81 6.675 1.333 -1.628 1.00 0.00 N ATOM 74 CA LEU A 81 6.835 0.535 -0.431 1.00 0.00 C ATOM 75 C LEU A 81 6.802 -0.932 -0.819 1.00 0.00 C ATOM 76 O LEU A 81 5.887 -1.374 -1.507 1.00 0.00 O ATOM 77 CB LEU A 81 5.713 0.878 0.576 1.00 0.00 C ATOM 78 CG LEU A 81 5.880 0.392 2.036 1.00 0.00 C ATOM 79 CD1 LEU A 81 5.600 -1.098 2.174 1.00 0.00 C ATOM 80 CD2 LEU A 81 7.265 0.727 2.562 1.00 0.00 C ATOM 0 H LEU A 81 5.732 1.326 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 81 7.790 0.750 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.600 1.962 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.780 0.467 0.191 1.00 0.00 H new ATOM 0 HG LEU A 81 5.142 0.921 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.729 -1.398 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.577 -1.307 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.293 -1.658 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.359 0.376 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.017 0.240 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.414 1.806 2.532 1.00 0.00 H new ATOM 92 N ILE A 82 7.797 -1.682 -0.399 1.00 0.00 N ATOM 93 CA ILE A 82 7.874 -3.082 -0.753 1.00 0.00 C ATOM 94 C ILE A 82 7.337 -3.945 0.377 1.00 0.00 C ATOM 95 O ILE A 82 7.529 -3.632 1.551 1.00 0.00 O ATOM 96 CB ILE A 82 9.321 -3.520 -1.066 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.022 -2.487 -1.937 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.313 -4.865 -1.767 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.456 -2.845 -2.262 1.00 0.00 C ATOM 0 H ILE A 82 8.562 -1.347 0.187 1.00 0.00 H new ATOM 0 HA ILE A 82 7.268 -3.215 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 82 9.866 -3.605 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.465 -2.370 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.003 -1.522 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.337 -5.168 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.844 -5.608 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.752 -4.787 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.893 -2.065 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.027 -2.934 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.482 -3.794 -2.797 1.00 0.00 H new ATOM 111 N VAL A 83 6.686 -5.028 0.021 1.00 0.00 N ATOM 112 CA VAL A 83 6.126 -5.941 0.989 1.00 0.00 C ATOM 113 C VAL A 83 6.578 -7.357 0.674 1.00 0.00 C ATOM 114 O VAL A 83 6.860 -7.685 -0.482 1.00 0.00 O ATOM 115 CB VAL A 83 4.578 -5.891 1.005 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.086 -4.547 1.521 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.019 -6.167 -0.383 1.00 0.00 C ATOM 0 H VAL A 83 6.530 -5.301 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 83 6.482 -5.638 1.973 1.00 0.00 H new ATOM 0 HB VAL A 83 4.220 -6.667 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.996 -4.535 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.453 -4.390 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.456 -3.751 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.930 -6.128 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.389 -5.415 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.337 -7.156 -0.713 1.00 0.00 H new ATOM 127 N HIS A 84 6.669 -8.181 1.691 1.00 0.00 N ATOM 128 CA HIS A 84 7.085 -9.560 1.512 1.00 0.00 C ATOM 129 C HIS A 84 5.909 -10.503 1.691 1.00 0.00 C ATOM 130 O HIS A 84 5.510 -10.808 2.813 1.00 0.00 O ATOM 131 CB HIS A 84 8.211 -9.928 2.491 1.00 0.00 C ATOM 132 CG HIS A 84 9.513 -9.216 2.237 1.00 0.00 C ATOM 133 ND1 HIS A 84 10.686 -9.874 1.941 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.823 -7.896 2.252 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.657 -8.995 1.788 1.00 0.00 C ATOM 136 NE2 HIS A 84 11.160 -7.792 1.969 1.00 0.00 N ATOM 0 H HIS A 84 6.461 -7.923 2.656 1.00 0.00 H new ATOM 0 HA HIS A 84 7.465 -9.663 0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.881 -9.705 3.506 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.383 -11.003 2.441 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.144 -7.080 2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.686 -9.225 1.554 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.685 -6.920 1.909 1.00 0.00 H new ATOM 145 N GLU A 85 5.348 -10.949 0.585 1.00 0.00 N ATOM 146 CA GLU A 85 4.216 -11.864 0.607 1.00 0.00 C ATOM 147 C GLU A 85 4.671 -13.259 0.226 1.00 0.00 C ATOM 148 O GLU A 85 4.950 -13.527 -0.944 1.00 0.00 O ATOM 149 CB GLU A 85 3.130 -11.407 -0.369 1.00 0.00 C ATOM 150 CG GLU A 85 2.537 -10.044 -0.068 1.00 0.00 C ATOM 151 CD GLU A 85 1.884 -9.973 1.292 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.151 -10.912 1.656 1.00 0.00 O ATOM 153 OE2 GLU A 85 2.066 -8.959 1.992 1.00 0.00 O ATOM 0 H GLU A 85 5.659 -10.691 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 85 3.805 -11.872 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.549 -11.391 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.328 -12.145 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.323 -9.291 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.800 -9.797 -0.832 1.00 0.00 H new ATOM 160 N GLY A 86 4.767 -14.139 1.207 1.00 0.00 N ATOM 161 CA GLY A 86 5.202 -15.498 0.944 1.00 0.00 C ATOM 162 C GLY A 86 6.614 -15.543 0.402 1.00 0.00 C ATOM 163 O GLY A 86 6.927 -16.344 -0.478 1.00 0.00 O ATOM 0 H GLY A 86 4.552 -13.939 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.147 -16.081 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.524 -15.965 0.230 1.00 0.00 H new ATOM 167 N GLY A 87 7.465 -14.667 0.922 1.00 0.00 N ATOM 168 CA GLY A 87 8.841 -14.598 0.466 1.00 0.00 C ATOM 169 C GLY A 87 8.989 -13.816 -0.829 1.00 0.00 C ATOM 170 O GLY A 87 10.106 -13.551 -1.281 1.00 0.00 O ATOM 0 H GLY A 87 7.225 -14.000 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.453 -14.133 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.223 -15.609 0.322 1.00 0.00 H new ATOM 174 N LYS A 88 7.867 -13.426 -1.416 1.00 0.00 N ATOM 175 CA LYS A 88 7.872 -12.694 -2.667 1.00 0.00 C ATOM 176 C LYS A 88 7.752 -11.208 -2.406 1.00 0.00 C ATOM 177 O LYS A 88 6.874 -10.765 -1.668 1.00 0.00 O ATOM 178 CB LYS A 88 6.722 -13.155 -3.562 1.00 0.00 C ATOM 179 CG LYS A 88 6.817 -14.607 -4.003 1.00 0.00 C ATOM 180 CD LYS A 88 7.978 -14.831 -4.963 1.00 0.00 C ATOM 181 CE LYS A 88 7.764 -14.100 -6.283 1.00 0.00 C ATOM 182 NZ LYS A 88 8.887 -14.321 -7.227 1.00 0.00 N ATOM 0 H LYS A 88 6.936 -13.608 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 88 8.816 -12.892 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.782 -13.010 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.689 -12.520 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.940 -15.245 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.885 -14.903 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.904 -14.487 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.094 -15.898 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.834 -14.440 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.654 -13.032 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.703 -13.807 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.771 -13.974 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.976 -15.337 -7.429 1.00 0.00 H new ATOM 196 N THR A 89 8.638 -10.451 -2.991 1.00 0.00 N ATOM 197 CA THR A 89 8.640 -9.025 -2.837 1.00 0.00 C ATOM 198 C THR A 89 7.714 -8.355 -3.846 1.00 0.00 C ATOM 199 O THR A 89 7.837 -8.563 -5.054 1.00 0.00 O ATOM 200 CB THR A 89 10.057 -8.474 -3.003 1.00 0.00 C ATOM 201 OG1 THR A 89 10.911 -9.502 -3.530 1.00 0.00 O ATOM 202 CG2 THR A 89 10.607 -7.982 -1.678 1.00 0.00 C ATOM 0 H THR A 89 9.382 -10.808 -3.590 1.00 0.00 H new ATOM 0 HA THR A 89 8.277 -8.803 -1.834 1.00 0.00 H new ATOM 0 HB THR A 89 10.023 -7.631 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.667 -9.684 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.616 -7.595 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.967 -7.189 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.634 -8.807 -0.966 1.00 0.00 H new ATOM 210 N TYR A 90 6.783 -7.572 -3.340 1.00 0.00 N ATOM 211 CA TYR A 90 5.861 -6.825 -4.173 1.00 0.00 C ATOM 212 C TYR A 90 6.000 -5.350 -3.867 1.00 0.00 C ATOM 213 O TYR A 90 6.176 -4.973 -2.712 1.00 0.00 O ATOM 214 CB TYR A 90 4.413 -7.264 -3.919 1.00 0.00 C ATOM 215 CG TYR A 90 4.083 -8.658 -4.401 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.286 -9.766 -3.591 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.561 -8.863 -5.668 1.00 0.00 C ATOM 218 CE1 TYR A 90 3.978 -11.036 -4.034 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.251 -10.128 -6.116 1.00 0.00 C ATOM 220 CZ TYR A 90 3.462 -11.211 -5.297 1.00 0.00 C ATOM 221 OH TYR A 90 3.151 -12.476 -5.741 1.00 0.00 O ATOM 0 H TYR A 90 6.644 -7.435 -2.339 1.00 0.00 H new ATOM 0 HA TYR A 90 6.101 -7.018 -5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.213 -7.207 -2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.742 -6.557 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.691 -9.632 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.394 -8.015 -6.316 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.141 -11.889 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.844 -10.268 -7.106 1.00 0.00 H new ATOM 0 HH TYR A 90 2.796 -12.425 -6.653 1.00 0.00 H new ATOM 231 N HIS A 91 5.931 -4.521 -4.881 1.00 0.00 N ATOM 232 CA HIS A 91 6.038 -3.087 -4.685 1.00 0.00 C ATOM 233 C HIS A 91 4.657 -2.465 -4.669 1.00 0.00 C ATOM 234 O HIS A 91 3.796 -2.828 -5.472 1.00 0.00 O ATOM 235 CB HIS A 91 6.873 -2.437 -5.794 1.00 0.00 C ATOM 236 CG HIS A 91 8.320 -2.828 -5.809 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.338 -1.952 -5.506 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.920 -3.998 -6.128 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.499 -2.564 -5.641 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.271 -3.804 -6.016 1.00 0.00 N ATOM 0 H HIS A 91 5.801 -4.810 -5.851 1.00 0.00 H new ATOM 0 HA HIS A 91 6.534 -2.914 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.433 -2.694 -6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.806 -1.354 -5.691 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.214 -0.980 -5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.426 -4.914 -6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.470 -2.123 -5.472 1.00 0.00 H new ATOM 249 N VAL A 92 4.446 -1.534 -3.768 1.00 0.00 N ATOM 250 CA VAL A 92 3.179 -0.845 -3.661 1.00 0.00 C ATOM 251 C VAL A 92 3.377 0.623 -3.981 1.00 0.00 C ATOM 252 O VAL A 92 4.195 1.300 -3.350 1.00 0.00 O ATOM 253 CB VAL A 92 2.568 -0.974 -2.245 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.209 -0.292 -2.180 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.459 -2.436 -1.829 1.00 0.00 C ATOM 0 H VAL A 92 5.145 -1.233 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 92 2.490 -1.305 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 92 3.235 -0.473 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.798 -0.395 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.321 0.765 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.534 -0.757 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.027 -2.499 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.821 -2.968 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.451 -2.888 -1.824 1.00 0.00 H new ATOM 265 N VAL A 93 2.650 1.100 -4.964 1.00 0.00 N ATOM 266 CA VAL A 93 2.738 2.483 -5.394 1.00 0.00 C ATOM 267 C VAL A 93 1.342 3.057 -5.529 1.00 0.00 C ATOM 268 O VAL A 93 0.488 2.480 -6.201 1.00 0.00 O ATOM 269 CB VAL A 93 3.482 2.620 -6.752 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.507 4.071 -7.213 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.897 2.075 -6.651 1.00 0.00 C ATOM 0 H VAL A 93 1.979 0.542 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 93 3.306 3.032 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 93 2.938 2.033 -7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.033 4.141 -8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.486 4.432 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.020 4.680 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.398 2.182 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.448 2.631 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.862 1.021 -6.375 1.00 0.00 H new ATOM 281 N CYS A 94 1.108 4.182 -4.907 1.00 0.00 N ATOM 282 CA CYS A 94 -0.198 4.790 -4.941 1.00 0.00 C ATOM 283 C CYS A 94 -0.256 5.889 -5.984 1.00 0.00 C ATOM 284 O CYS A 94 0.632 6.737 -6.058 1.00 0.00 O ATOM 285 CB CYS A 94 -0.557 5.331 -3.564 1.00 0.00 C ATOM 286 SG CYS A 94 -0.535 4.062 -2.261 1.00 0.00 S ATOM 0 H CYS A 94 1.805 4.698 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.928 4.030 -5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.142 6.124 -3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.549 5.781 -3.606 1.00 0.00 H new ATOM 291 N HIS A 95 -1.292 5.855 -6.805 1.00 0.00 N ATOM 292 CA HIS A 95 -1.485 6.851 -7.852 1.00 0.00 C ATOM 293 C HIS A 95 -2.089 8.100 -7.253 1.00 0.00 C ATOM 294 O HIS A 95 -1.820 9.218 -7.701 1.00 0.00 O ATOM 295 CB HIS A 95 -2.415 6.308 -8.946 1.00 0.00 C ATOM 296 CG HIS A 95 -1.956 5.019 -9.553 1.00 0.00 C ATOM 297 ND1 HIS A 95 -2.651 3.837 -9.424 1.00 0.00 N ATOM 298 CD2 HIS A 95 -0.869 4.732 -10.298 1.00 0.00 C ATOM 299 CE1 HIS A 95 -2.009 2.880 -10.061 1.00 0.00 C ATOM 300 NE2 HIS A 95 -0.926 3.399 -10.600 1.00 0.00 N ATOM 0 H HIS A 95 -2.020 5.142 -6.768 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.518 7.084 -8.297 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.410 6.165 -8.524 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.507 7.056 -9.734 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.098 5.425 -10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.318 1.847 -10.129 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.239 2.889 -11.155 1.00 0.00 H new ATOM 309 N GLU A 96 -2.852 7.894 -6.194 1.00 0.00 N ATOM 310 CA GLU A 96 -3.572 8.940 -5.492 1.00 0.00 C ATOM 311 C GLU A 96 -3.869 8.450 -4.091 1.00 0.00 C ATOM 312 O GLU A 96 -3.482 7.333 -3.731 1.00 0.00 O ATOM 313 CB GLU A 96 -4.883 9.320 -6.208 1.00 0.00 C ATOM 314 CG GLU A 96 -4.686 10.058 -7.522 1.00 0.00 C ATOM 315 CD GLU A 96 -5.976 10.549 -8.122 1.00 0.00 C ATOM 316 OE1 GLU A 96 -6.689 9.740 -8.756 1.00 0.00 O ATOM 317 OE2 GLU A 96 -6.284 11.749 -7.973 1.00 0.00 O ATOM 0 H GLU A 96 -2.991 6.969 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.953 9.837 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.457 8.413 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.480 9.942 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.022 10.907 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.190 9.397 -8.233 1.00 0.00 H new ATOM 324 N GLU A 97 -4.536 9.260 -3.307 1.00 0.00 N ATOM 325 CA GLU A 97 -4.860 8.886 -1.946 1.00 0.00 C ATOM 326 C GLU A 97 -6.136 8.057 -1.897 1.00 0.00 C ATOM 327 O GLU A 97 -6.994 8.157 -2.780 1.00 0.00 O ATOM 328 CB GLU A 97 -4.984 10.122 -1.069 1.00 0.00 C ATOM 329 CG GLU A 97 -3.713 10.950 -1.026 1.00 0.00 C ATOM 330 CD GLU A 97 -3.863 12.197 -0.199 1.00 0.00 C ATOM 331 OE1 GLU A 97 -3.629 12.133 1.026 1.00 0.00 O ATOM 332 OE2 GLU A 97 -4.210 13.254 -0.770 1.00 0.00 O ATOM 0 H GLU A 97 -4.867 10.184 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.047 8.271 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.802 10.741 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.246 9.817 -0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.903 10.344 -0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.428 11.224 -2.042 1.00 0.00 H new ATOM 339 N GLY A 98 -6.252 7.243 -0.871 1.00 0.00 N ATOM 340 CA GLY A 98 -7.397 6.378 -0.731 1.00 0.00 C ATOM 341 C GLY A 98 -6.984 4.935 -0.581 1.00 0.00 C ATOM 342 O GLY A 98 -5.819 4.605 -0.787 1.00 0.00 O ATOM 0 H GLY A 98 -5.565 7.164 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.981 6.683 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.043 6.484 -1.602 1.00 0.00 H new ATOM 346 N PRO A 99 -7.900 4.058 -0.186 1.00 0.00 N ATOM 347 CA PRO A 99 -7.615 2.641 -0.032 1.00 0.00 C ATOM 348 C PRO A 99 -7.802 1.850 -1.337 1.00 0.00 C ATOM 349 O PRO A 99 -8.797 2.016 -2.047 1.00 0.00 O ATOM 350 CB PRO A 99 -8.638 2.210 1.006 1.00 0.00 C ATOM 351 CG PRO A 99 -9.823 3.087 0.755 1.00 0.00 C ATOM 352 CD PRO A 99 -9.293 4.380 0.178 1.00 0.00 C ATOM 0 HA PRO A 99 -6.579 2.456 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.894 1.156 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.255 2.341 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.517 2.610 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.370 3.272 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.870 4.697 -0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.339 5.191 0.905 1.00 0.00 H new ATOM 360 N ILE A 100 -6.838 0.995 -1.636 1.00 0.00 N ATOM 361 CA ILE A 100 -6.879 0.141 -2.824 1.00 0.00 C ATOM 362 C ILE A 100 -6.338 -1.254 -2.491 1.00 0.00 C ATOM 363 O ILE A 100 -5.592 -1.407 -1.533 1.00 0.00 O ATOM 364 CB ILE A 100 -6.102 0.762 -4.031 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.892 1.603 -3.565 1.00 0.00 C ATOM 366 CG2 ILE A 100 -7.037 1.597 -4.904 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.754 0.796 -2.971 1.00 0.00 C ATOM 0 H ILE A 100 -6.002 0.869 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.922 0.057 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.714 -0.063 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.512 2.171 -4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.233 2.326 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.476 2.020 -5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.837 0.965 -5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.466 2.404 -4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.949 1.467 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.112 0.248 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.381 0.091 -3.714 1.00 0.00 H new ATOM 379 N PRO A 101 -6.729 -2.293 -3.263 1.00 0.00 N ATOM 380 CA PRO A 101 -6.311 -3.686 -3.005 1.00 0.00 C ATOM 381 C PRO A 101 -4.796 -3.896 -3.086 1.00 0.00 C ATOM 382 O PRO A 101 -4.054 -3.052 -3.602 1.00 0.00 O ATOM 383 CB PRO A 101 -7.010 -4.483 -4.114 1.00 0.00 C ATOM 384 CG PRO A 101 -7.289 -3.477 -5.170 1.00 0.00 C ATOM 385 CD PRO A 101 -7.603 -2.209 -4.439 1.00 0.00 C ATOM 0 HA PRO A 101 -6.578 -3.991 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.374 -5.286 -4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.929 -4.945 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.429 -3.349 -5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.126 -3.787 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.386 -1.328 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.655 -2.152 -4.159 1.00 0.00 H new ATOM 393 N HIS A 102 -4.356 -5.037 -2.586 1.00 0.00 N ATOM 394 CA HIS A 102 -2.955 -5.398 -2.566 1.00 0.00 C ATOM 395 C HIS A 102 -2.611 -6.125 -3.868 1.00 0.00 C ATOM 396 O HIS A 102 -3.281 -7.088 -4.228 1.00 0.00 O ATOM 397 CB HIS A 102 -2.687 -6.305 -1.353 1.00 0.00 C ATOM 398 CG HIS A 102 -1.286 -6.285 -0.842 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.494 -7.407 -0.767 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.542 -5.275 -0.344 1.00 0.00 C ATOM 401 CE1 HIS A 102 0.675 -7.085 -0.255 1.00 0.00 C ATOM 402 NE2 HIS A 102 0.674 -5.798 0.010 1.00 0.00 N ATOM 0 H HIS A 102 -4.969 -5.744 -2.179 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.333 -4.507 -2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.356 -6.010 -0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.944 -7.330 -1.622 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.770 -8.344 -1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.849 -4.244 -0.243 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.497 -7.764 -0.082 1.00 0.00 H new ATOM 411 N PRO A 103 -1.553 -5.678 -4.581 1.00 0.00 N ATOM 412 CA PRO A 103 -1.164 -6.244 -5.892 1.00 0.00 C ATOM 413 C PRO A 103 -1.022 -7.766 -5.874 1.00 0.00 C ATOM 414 O PRO A 103 -1.586 -8.462 -6.720 1.00 0.00 O ATOM 415 CB PRO A 103 0.197 -5.583 -6.183 1.00 0.00 C ATOM 416 CG PRO A 103 0.619 -4.972 -4.885 1.00 0.00 C ATOM 417 CD PRO A 103 -0.647 -4.600 -4.181 1.00 0.00 C ATOM 0 HA PRO A 103 -1.925 -6.048 -6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.925 -6.316 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.110 -4.828 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.204 -5.676 -4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.247 -4.096 -5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.515 -4.560 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.014 -3.623 -4.494 1.00 0.00 H new ATOM 425 N GLY A 104 -0.269 -8.273 -4.910 1.00 0.00 N ATOM 426 CA GLY A 104 -0.062 -9.701 -4.805 1.00 0.00 C ATOM 427 C GLY A 104 -1.325 -10.448 -4.433 1.00 0.00 C ATOM 428 O GLY A 104 -1.834 -11.251 -5.212 1.00 0.00 O ATOM 0 H GLY A 104 0.204 -7.718 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.313 -10.081 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.706 -9.899 -4.057 1.00 0.00 H new ATOM 432 N ASN A 105 -1.828 -10.184 -3.245 1.00 0.00 N ATOM 433 CA ASN A 105 -3.018 -10.843 -2.748 1.00 0.00 C ATOM 434 C ASN A 105 -4.133 -9.843 -2.445 1.00 0.00 C ATOM 435 O ASN A 105 -4.073 -9.106 -1.460 1.00 0.00 O ATOM 436 CB ASN A 105 -2.685 -11.699 -1.505 1.00 0.00 C ATOM 437 CG ASN A 105 -1.652 -11.056 -0.579 1.00 0.00 C ATOM 438 OD1 ASN A 105 -1.548 -9.829 -0.482 1.00 0.00 O ATOM 439 ND2 ASN A 105 -0.868 -11.881 0.087 1.00 0.00 N ATOM 0 H ASN A 105 -1.424 -9.507 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.384 -11.505 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.601 -11.881 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.313 -12.670 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.147 -11.511 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.982 -12.889 -0.017 1.00 0.00 H new ATOM 446 N VAL A 106 -5.136 -9.806 -3.328 1.00 0.00 N ATOM 447 CA VAL A 106 -6.311 -8.921 -3.185 1.00 0.00 C ATOM 448 C VAL A 106 -7.063 -9.106 -1.854 1.00 0.00 C ATOM 449 O VAL A 106 -7.947 -8.315 -1.522 1.00 0.00 O ATOM 450 CB VAL A 106 -7.299 -9.091 -4.364 1.00 0.00 C ATOM 451 CG1 VAL A 106 -6.652 -8.659 -5.670 1.00 0.00 C ATOM 452 CG2 VAL A 106 -7.788 -10.529 -4.460 1.00 0.00 C ATOM 0 H VAL A 106 -5.162 -10.387 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.906 -7.909 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.162 -8.451 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.362 -8.786 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.360 -7.611 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.769 -9.270 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.481 -10.623 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.938 -11.193 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.296 -10.803 -3.535 1.00 0.00 H new ATOM 462 N HIS A 107 -6.724 -10.154 -1.103 1.00 0.00 N ATOM 463 CA HIS A 107 -7.327 -10.387 0.220 1.00 0.00 C ATOM 464 C HIS A 107 -6.776 -9.392 1.248 1.00 0.00 C ATOM 465 O HIS A 107 -7.096 -9.457 2.434 1.00 0.00 O ATOM 466 CB HIS A 107 -7.083 -11.826 0.693 1.00 0.00 C ATOM 467 CG HIS A 107 -7.905 -12.857 -0.028 1.00 0.00 C ATOM 468 ND1 HIS A 107 -8.112 -14.127 0.459 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.563 -12.803 -1.208 1.00 0.00 C ATOM 470 CE1 HIS A 107 -8.856 -14.806 -0.386 1.00 0.00 C ATOM 471 NE2 HIS A 107 -9.142 -14.029 -1.403 1.00 0.00 N ATOM 0 H HIS A 107 -6.038 -10.856 -1.382 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.402 -10.236 0.127 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.027 -12.065 0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.297 -11.888 1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.621 -11.953 -1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.177 -15.830 -0.263 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.706 -14.295 -2.210 1.00 0.00 H new ATOM 480 N LYS A 108 -5.959 -8.469 0.768 1.00 0.00 N ATOM 481 CA LYS A 108 -5.382 -7.424 1.582 1.00 0.00 C ATOM 482 C LYS A 108 -5.432 -6.130 0.804 1.00 0.00 C ATOM 483 O LYS A 108 -5.580 -6.152 -0.416 1.00 0.00 O ATOM 484 CB LYS A 108 -3.934 -7.751 1.968 1.00 0.00 C ATOM 485 CG LYS A 108 -3.805 -8.968 2.867 1.00 0.00 C ATOM 486 CD LYS A 108 -2.535 -8.928 3.695 1.00 0.00 C ATOM 487 CE LYS A 108 -1.291 -9.043 2.837 1.00 0.00 C ATOM 488 NZ LYS A 108 -0.071 -9.229 3.660 1.00 0.00 N ATOM 0 H LYS A 108 -5.677 -8.428 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.954 -7.335 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.353 -7.917 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.498 -6.889 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.669 -9.023 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.813 -9.872 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.500 -7.996 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.550 -9.741 4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.399 -9.883 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.185 -8.146 2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.743 -8.798 3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.204 -8.774 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.105 -10.245 3.796 1.00 0.00 H new ATOM 502 N TYR A 109 -5.330 -5.014 1.489 1.00 0.00 N ATOM 503 CA TYR A 109 -5.362 -3.732 0.814 1.00 0.00 C ATOM 504 C TYR A 109 -4.425 -2.736 1.464 1.00 0.00 C ATOM 505 O TYR A 109 -3.844 -3.012 2.504 1.00 0.00 O ATOM 506 CB TYR A 109 -6.783 -3.181 0.729 1.00 0.00 C ATOM 507 CG TYR A 109 -7.340 -2.566 1.995 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.752 -3.350 3.066 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.492 -1.192 2.093 1.00 0.00 C ATOM 510 CE1 TYR A 109 -8.299 -2.776 4.197 1.00 0.00 C ATOM 511 CE2 TYR A 109 -8.030 -0.611 3.218 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.434 -1.403 4.268 1.00 0.00 C ATOM 513 OH TYR A 109 -8.984 -0.821 5.385 1.00 0.00 O ATOM 0 H TYR A 109 -5.225 -4.965 2.502 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.010 -3.895 -0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.812 -2.428 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.446 -3.990 0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.643 -4.423 3.013 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.182 -0.565 1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.619 -3.397 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.135 0.462 3.277 1.00 0.00 H new ATOM 0 HH TYR A 109 -9.004 0.152 5.271 1.00 0.00 H new ATOM 523 N ILE A 110 -4.274 -1.585 0.846 1.00 0.00 N ATOM 524 CA ILE A 110 -3.413 -0.549 1.368 1.00 0.00 C ATOM 525 C ILE A 110 -4.160 0.773 1.419 1.00 0.00 C ATOM 526 O ILE A 110 -4.967 1.073 0.539 1.00 0.00 O ATOM 527 CB ILE A 110 -2.134 -0.342 0.506 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.504 -1.671 0.084 1.00 0.00 C ATOM 529 CG2 ILE A 110 -1.119 0.495 1.256 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.993 -2.170 -1.256 1.00 0.00 C ATOM 0 H ILE A 110 -4.742 -1.343 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.113 -0.872 2.365 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.438 0.183 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.421 -1.555 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.718 -2.423 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.231 0.630 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.551 1.469 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.844 -0.010 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.505 -3.116 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.072 -2.318 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.755 -1.437 -2.026 1.00 0.00 H new ATOM 542 N ILE A 111 -3.908 1.544 2.455 1.00 0.00 N ATOM 543 CA ILE A 111 -4.476 2.870 2.568 1.00 0.00 C ATOM 544 C ILE A 111 -3.418 3.871 2.157 1.00 0.00 C ATOM 545 O ILE A 111 -2.346 3.932 2.769 1.00 0.00 O ATOM 546 CB ILE A 111 -4.964 3.205 4.010 1.00 0.00 C ATOM 547 CG1 ILE A 111 -6.045 2.226 4.478 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.489 4.634 4.077 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.507 0.916 5.006 1.00 0.00 C ATOM 0 H ILE A 111 -3.310 1.273 3.235 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.352 2.915 1.921 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.108 3.108 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.638 2.703 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.718 2.021 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.825 4.851 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.694 5.327 3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.324 4.748 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.337 0.281 5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.938 0.414 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.857 1.107 5.860 1.00 0.00 H new ATOM 561 N CYS A 112 -3.697 4.637 1.128 1.00 0.00 N ATOM 562 CA CYS A 112 -2.734 5.587 0.617 1.00 0.00 C ATOM 563 C CYS A 112 -3.007 6.984 1.147 1.00 0.00 C ATOM 564 O CYS A 112 -4.112 7.514 0.999 1.00 0.00 O ATOM 565 CB CYS A 112 -2.761 5.591 -0.907 1.00 0.00 C ATOM 566 SG CYS A 112 -2.462 3.961 -1.654 1.00 0.00 S ATOM 0 H CYS A 112 -4.585 4.621 0.627 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.744 5.283 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.730 5.961 -1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.009 6.290 -1.272 1.00 0.00 H new ATOM 571 N SER A 113 -2.014 7.564 1.778 1.00 0.00 N ATOM 572 CA SER A 113 -2.109 8.903 2.297 1.00 0.00 C ATOM 573 C SER A 113 -0.887 9.691 1.849 1.00 0.00 C ATOM 574 O SER A 113 0.225 9.171 1.859 1.00 0.00 O ATOM 575 CB SER A 113 -2.191 8.858 3.828 1.00 0.00 C ATOM 576 OG SER A 113 -2.430 10.142 4.379 1.00 0.00 O ATOM 0 H SER A 113 -1.113 7.116 1.946 1.00 0.00 H new ATOM 0 HA SER A 113 -3.008 9.390 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.988 8.179 4.130 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.261 8.457 4.230 1.00 0.00 H new ATOM 0 HG SER A 113 -2.478 10.075 5.356 1.00 0.00 H new ATOM 582 N LYS A 114 -1.085 10.925 1.437 1.00 0.00 N ATOM 583 CA LYS A 114 0.020 11.730 0.973 1.00 0.00 C ATOM 584 C LYS A 114 0.219 12.929 1.876 1.00 0.00 C ATOM 585 O LYS A 114 -0.591 13.855 1.887 1.00 0.00 O ATOM 586 CB LYS A 114 -0.207 12.182 -0.471 1.00 0.00 C ATOM 587 CG LYS A 114 0.991 12.883 -1.096 1.00 0.00 C ATOM 588 CD LYS A 114 0.708 13.281 -2.535 1.00 0.00 C ATOM 589 CE LYS A 114 1.933 13.886 -3.197 1.00 0.00 C ATOM 590 NZ LYS A 114 1.657 14.298 -4.596 1.00 0.00 N ATOM 0 H LYS A 114 -1.994 11.388 1.414 1.00 0.00 H new ATOM 0 HA LYS A 114 0.922 11.119 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.463 11.313 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.064 12.855 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.241 13.770 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.859 12.224 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.384 12.406 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.112 13.999 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.267 14.750 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.747 13.162 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.517 14.706 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.363 13.469 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.897 15.008 -4.605 1.00 0.00 H new ATOM 604 N SER A 115 1.293 12.912 2.626 1.00 0.00 N ATOM 605 CA SER A 115 1.624 13.990 3.516 1.00 0.00 C ATOM 606 C SER A 115 2.524 14.988 2.811 1.00 0.00 C ATOM 607 O SER A 115 3.745 14.985 2.992 1.00 0.00 O ATOM 608 CB SER A 115 2.311 13.444 4.762 1.00 0.00 C ATOM 609 OG SER A 115 1.396 12.722 5.570 1.00 0.00 O ATOM 0 H SER A 115 1.964 12.144 2.634 1.00 0.00 H new ATOM 0 HA SER A 115 0.708 14.498 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.137 12.794 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.739 14.266 5.336 1.00 0.00 H new ATOM 0 HG SER A 115 1.821 11.899 5.890 1.00 0.00 H new ATOM 615 N GLY A 116 1.923 15.793 1.961 1.00 0.00 N ATOM 616 CA GLY A 116 2.677 16.783 1.236 1.00 0.00 C ATOM 617 C GLY A 116 3.425 16.162 0.082 1.00 0.00 C ATOM 618 O GLY A 116 2.854 15.920 -0.976 1.00 0.00 O ATOM 0 H GLY A 116 0.923 15.779 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 116 2.004 17.555 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 116 3.382 17.272 1.909 1.00 0.00 H new ATOM 622 N SER A 117 4.702 15.896 0.285 1.00 0.00 N ATOM 623 CA SER A 117 5.528 15.295 -0.741 1.00 0.00 C ATOM 624 C SER A 117 5.971 13.893 -0.309 1.00 0.00 C ATOM 625 O SER A 117 6.805 13.261 -0.959 1.00 0.00 O ATOM 626 CB SER A 117 6.745 16.177 -1.015 1.00 0.00 C ATOM 627 OG SER A 117 6.343 17.494 -1.354 1.00 0.00 O ATOM 0 H SER A 117 5.191 16.089 1.159 1.00 0.00 H new ATOM 0 HA SER A 117 4.946 15.207 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.387 16.203 -0.135 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.334 15.751 -1.827 1.00 0.00 H new ATOM 0 HG SER A 117 7.136 18.044 -1.524 1.00 0.00 H new ATOM 633 N LEU A 118 5.398 13.411 0.788 1.00 0.00 N ATOM 634 CA LEU A 118 5.762 12.111 1.328 1.00 0.00 C ATOM 635 C LEU A 118 4.542 11.211 1.427 1.00 0.00 C ATOM 636 O LEU A 118 3.536 11.584 2.026 1.00 0.00 O ATOM 637 CB LEU A 118 6.405 12.269 2.710 1.00 0.00 C ATOM 638 CG LEU A 118 7.014 10.997 3.318 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.949 10.315 2.330 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.758 11.329 4.599 1.00 0.00 C ATOM 0 H LEU A 118 4.680 13.903 1.319 1.00 0.00 H new ATOM 0 HA LEU A 118 6.482 11.651 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.187 13.025 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.651 12.652 3.398 1.00 0.00 H new ATOM 0 HG LEU A 118 6.201 10.309 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.367 9.417 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.394 10.042 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.757 10.997 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.184 10.418 5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.558 12.037 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.067 11.771 5.317 1.00 0.00 H new ATOM 652 N TRP A 119 4.629 10.041 0.835 1.00 0.00 N ATOM 653 CA TRP A 119 3.530 9.094 0.876 1.00 0.00 C ATOM 654 C TRP A 119 3.631 8.170 2.079 1.00 0.00 C ATOM 655 O TRP A 119 4.698 7.630 2.378 1.00 0.00 O ATOM 656 CB TRP A 119 3.490 8.248 -0.396 1.00 0.00 C ATOM 657 CG TRP A 119 2.998 8.965 -1.606 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.743 9.651 -2.517 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.641 9.055 -2.047 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.931 10.161 -3.500 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.637 9.808 -3.233 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.429 8.568 -1.553 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.468 10.087 -3.933 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.729 8.846 -2.246 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.701 9.599 -3.426 1.00 0.00 C ATOM 0 H TRP A 119 5.448 9.720 0.319 1.00 0.00 H new ATOM 0 HA TRP A 119 2.614 9.679 0.956 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.493 7.871 -0.597 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.853 7.381 -0.220 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.815 9.776 -2.473 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.242 10.713 -4.299 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.400 7.984 -0.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.485 10.668 -4.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.673 8.477 -1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.626 9.798 -3.947 1.00 0.00 H new ATOM 676 N TYR A 120 2.523 8.011 2.767 1.00 0.00 N ATOM 677 CA TYR A 120 2.415 7.069 3.857 1.00 0.00 C ATOM 678 C TYR A 120 1.366 6.045 3.517 1.00 0.00 C ATOM 679 O TYR A 120 0.206 6.388 3.273 1.00 0.00 O ATOM 680 CB TYR A 120 2.037 7.755 5.159 1.00 0.00 C ATOM 681 CG TYR A 120 3.115 8.626 5.743 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.107 8.083 6.543 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.135 9.989 5.507 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.092 8.878 7.092 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.113 10.789 6.054 1.00 0.00 C ATOM 686 CZ TYR A 120 5.088 10.233 6.843 1.00 0.00 C ATOM 687 OH TYR A 120 6.060 11.034 7.391 1.00 0.00 O ATOM 0 H TYR A 120 1.667 8.535 2.585 1.00 0.00 H new ATOM 0 HA TYR A 120 3.388 6.597 3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.149 8.363 4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.767 6.994 5.891 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.109 7.021 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.372 10.432 4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.861 8.441 7.712 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.113 11.852 5.862 1.00 0.00 H new ATOM 0 HH TYR A 120 6.886 10.518 7.501 1.00 0.00 H new ATOM 697 N ILE A 121 1.759 4.802 3.483 1.00 0.00 N ATOM 698 CA ILE A 121 0.838 3.743 3.136 1.00 0.00 C ATOM 699 C ILE A 121 0.809 2.667 4.211 1.00 0.00 C ATOM 700 O ILE A 121 1.832 2.354 4.824 1.00 0.00 O ATOM 701 CB ILE A 121 1.164 3.123 1.735 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.501 2.363 1.733 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.177 4.202 0.664 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.370 0.882 2.047 1.00 0.00 C ATOM 0 H ILE A 121 2.709 4.492 3.690 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.155 4.188 3.073 1.00 0.00 H new ATOM 0 HB ILE A 121 0.376 2.404 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.970 2.477 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.169 2.821 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.405 3.753 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.199 4.682 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 121 1.936 4.946 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.356 0.417 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.931 0.757 3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.729 0.408 1.303 1.00 0.00 H new ATOM 716 N THR A 122 -0.361 2.126 4.450 1.00 0.00 N ATOM 717 CA THR A 122 -0.532 1.081 5.438 1.00 0.00 C ATOM 718 C THR A 122 -1.290 -0.092 4.826 1.00 0.00 C ATOM 719 O THR A 122 -2.389 0.085 4.304 1.00 0.00 O ATOM 720 CB THR A 122 -1.303 1.610 6.667 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.635 2.769 7.198 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.400 0.543 7.751 1.00 0.00 C ATOM 0 H THR A 122 -1.220 2.394 3.969 1.00 0.00 H new ATOM 0 HA THR A 122 0.455 0.750 5.761 1.00 0.00 H new ATOM 0 HB THR A 122 -2.311 1.876 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.128 3.103 7.976 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.947 0.941 8.605 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.924 -0.328 7.358 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.398 0.252 8.066 1.00 0.00 H new ATOM 730 N VAL A 123 -0.703 -1.282 4.876 1.00 0.00 N ATOM 731 CA VAL A 123 -1.335 -2.456 4.301 1.00 0.00 C ATOM 732 C VAL A 123 -2.140 -3.228 5.353 1.00 0.00 C ATOM 733 O VAL A 123 -1.590 -3.791 6.297 1.00 0.00 O ATOM 734 CB VAL A 123 -0.312 -3.394 3.589 1.00 0.00 C ATOM 735 CG1 VAL A 123 0.855 -3.749 4.500 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.996 -4.657 3.079 1.00 0.00 C ATOM 0 H VAL A 123 0.205 -1.456 5.307 1.00 0.00 H new ATOM 0 HA VAL A 123 -2.025 -2.095 3.538 1.00 0.00 H new ATOM 0 HB VAL A 123 0.089 -2.848 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.546 -4.403 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.375 -2.838 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.481 -4.260 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.262 -5.295 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.439 -5.194 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.777 -4.386 2.368 1.00 0.00 H new ATOM 746 N MET A 124 -3.447 -3.218 5.184 1.00 0.00 N ATOM 747 CA MET A 124 -4.355 -3.900 6.094 1.00 0.00 C ATOM 748 C MET A 124 -4.992 -5.104 5.403 1.00 0.00 C ATOM 749 O MET A 124 -5.347 -5.033 4.232 1.00 0.00 O ATOM 750 CB MET A 124 -5.455 -2.939 6.568 1.00 0.00 C ATOM 751 CG MET A 124 -4.950 -1.669 7.257 1.00 0.00 C ATOM 752 SD MET A 124 -4.573 -1.883 9.019 1.00 0.00 S ATOM 753 CE MET A 124 -3.033 -2.792 8.959 1.00 0.00 C ATOM 0 H MET A 124 -3.913 -2.738 4.414 1.00 0.00 H new ATOM 0 HA MET A 124 -3.784 -4.243 6.956 1.00 0.00 H new ATOM 0 HB2 MET A 124 -6.061 -2.652 5.709 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.111 -3.472 7.257 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.053 -1.322 6.744 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.701 -0.887 7.149 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.462 -2.601 9.868 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.243 -3.859 8.879 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.454 -2.470 8.093 1.00 0.00 H new ATOM 763 N PRO A 125 -5.121 -6.231 6.109 1.00 0.00 N ATOM 764 CA PRO A 125 -5.740 -7.430 5.561 1.00 0.00 C ATOM 765 C PRO A 125 -7.263 -7.427 5.726 1.00 0.00 C ATOM 766 O PRO A 125 -7.787 -6.995 6.759 1.00 0.00 O ATOM 767 CB PRO A 125 -5.116 -8.543 6.400 1.00 0.00 C ATOM 768 CG PRO A 125 -4.868 -7.919 7.737 1.00 0.00 C ATOM 769 CD PRO A 125 -4.650 -6.438 7.496 1.00 0.00 C ATOM 0 HA PRO A 125 -5.573 -7.530 4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.785 -9.400 6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.189 -8.903 5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.716 -8.082 8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.996 -8.365 8.216 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.214 -5.831 8.204 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.600 -6.165 7.607 1.00 0.00 H new ATOM 777 N CYS A 126 -7.968 -7.896 4.709 1.00 0.00 N ATOM 778 CA CYS A 126 -9.420 -7.988 4.765 1.00 0.00 C ATOM 779 C CYS A 126 -9.839 -9.263 5.470 1.00 0.00 C ATOM 780 O CYS A 126 -9.001 -10.116 5.776 1.00 0.00 O ATOM 781 CB CYS A 126 -10.030 -7.966 3.356 1.00 0.00 C ATOM 782 SG CYS A 126 -9.988 -6.343 2.518 1.00 0.00 S ATOM 0 H CYS A 126 -7.558 -8.220 3.833 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.786 -7.124 5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.501 -8.691 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -11.066 -8.297 3.420 1.00 0.00 H new ATOM 787 N SER A 127 -11.127 -9.380 5.752 1.00 0.00 N ATOM 788 CA SER A 127 -11.668 -10.578 6.355 1.00 0.00 C ATOM 789 C SER A 127 -11.351 -11.796 5.485 1.00 0.00 C ATOM 790 O SER A 127 -11.368 -11.714 4.250 1.00 0.00 O ATOM 791 CB SER A 127 -13.181 -10.433 6.530 1.00 0.00 C ATOM 792 OG SER A 127 -13.492 -9.273 7.289 1.00 0.00 O ATOM 0 H SER A 127 -11.818 -8.652 5.570 1.00 0.00 H new ATOM 0 HA SER A 127 -11.210 -10.721 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.661 -10.373 5.553 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.580 -11.317 7.028 1.00 0.00 H new ATOM 0 HG SER A 127 -14.464 -9.198 7.388 1.00 0.00 H new ATOM 798 N ILE A 128 -11.041 -12.902 6.117 1.00 0.00 N ATOM 799 CA ILE A 128 -10.736 -14.119 5.398 1.00 0.00 C ATOM 800 C ILE A 128 -11.940 -14.530 4.545 1.00 0.00 C ATOM 801 O ILE A 128 -13.079 -14.543 5.019 1.00 0.00 O ATOM 802 CB ILE A 128 -10.304 -15.274 6.363 1.00 0.00 C ATOM 803 CG1 ILE A 128 -8.892 -15.016 6.932 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.340 -16.623 5.660 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.780 -13.807 7.842 1.00 0.00 C ATOM 0 H ILE A 128 -10.993 -12.986 7.132 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.887 -13.925 4.743 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.018 -15.295 7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.572 -15.899 7.485 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.198 -14.892 6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -10.035 -17.404 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.353 -16.824 5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.658 -16.608 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.752 -13.708 8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.064 -12.910 7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.443 -13.933 8.698 1.00 0.00 H new ATOM 817 N GLY A 129 -11.679 -14.839 3.283 1.00 0.00 N ATOM 818 CA GLY A 129 -12.748 -15.171 2.366 1.00 0.00 C ATOM 819 C GLY A 129 -13.233 -13.976 1.559 1.00 0.00 C ATOM 820 O GLY A 129 -14.048 -14.130 0.644 1.00 0.00 O ATOM 0 H GLY A 129 -10.743 -14.865 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.405 -15.948 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.585 -15.587 2.928 1.00 0.00 H new ATOM 824 N THR A 130 -12.745 -12.785 1.886 1.00 0.00 N ATOM 825 CA THR A 130 -13.149 -11.590 1.162 1.00 0.00 C ATOM 826 C THR A 130 -11.958 -10.946 0.455 1.00 0.00 C ATOM 827 O THR A 130 -10.800 -11.271 0.739 1.00 0.00 O ATOM 828 CB THR A 130 -13.835 -10.544 2.086 1.00 0.00 C ATOM 829 OG1 THR A 130 -12.913 -10.044 3.058 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.037 -11.152 2.799 1.00 0.00 C ATOM 0 H THR A 130 -12.077 -12.623 2.639 1.00 0.00 H new ATOM 0 HA THR A 130 -13.878 -11.912 0.418 1.00 0.00 H new ATOM 0 HB THR A 130 -14.174 -9.722 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.666 -10.764 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.499 -10.400 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.762 -11.496 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 130 -14.711 -11.995 3.407 1.00 0.00 H new ATOM 838 N LYS A 131 -12.248 -10.050 -0.471 1.00 0.00 N ATOM 839 CA LYS A 131 -11.225 -9.335 -1.213 1.00 0.00 C ATOM 840 C LYS A 131 -11.554 -7.856 -1.212 1.00 0.00 C ATOM 841 O LYS A 131 -12.729 -7.478 -1.165 1.00 0.00 O ATOM 842 CB LYS A 131 -11.155 -9.844 -2.662 1.00 0.00 C ATOM 843 CG LYS A 131 -12.422 -9.578 -3.469 1.00 0.00 C ATOM 844 CD LYS A 131 -12.325 -10.134 -4.880 1.00 0.00 C ATOM 845 CE LYS A 131 -13.604 -9.878 -5.658 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.544 -10.419 -7.042 1.00 0.00 N ATOM 0 H LYS A 131 -13.201 -9.797 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.259 -9.503 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.310 -9.371 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.960 -10.916 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.276 -10.025 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.605 -8.504 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.483 -9.675 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.129 -11.205 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.444 -10.330 -5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.793 -8.805 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.362 -10.076 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.667 -10.101 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.561 -11.458 -7.010 1.00 0.00 H new ATOM 860 N PHE A 132 -10.546 -7.024 -1.239 1.00 0.00 N ATOM 861 CA PHE A 132 -10.771 -5.600 -1.268 1.00 0.00 C ATOM 862 C PHE A 132 -10.998 -5.125 -2.692 1.00 0.00 C ATOM 863 O PHE A 132 -10.230 -5.452 -3.598 1.00 0.00 O ATOM 864 CB PHE A 132 -9.602 -4.856 -0.650 1.00 0.00 C ATOM 865 CG PHE A 132 -9.882 -3.407 -0.390 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.470 -3.008 0.795 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.555 -2.444 -1.326 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.724 -1.679 1.042 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.808 -1.112 -1.085 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.391 -0.729 0.101 1.00 0.00 C ATOM 0 H PHE A 132 -9.565 -7.304 -1.242 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.665 -5.388 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.330 -5.339 0.289 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.740 -4.938 -1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.733 -3.748 1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.096 -2.740 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.184 -1.380 1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.549 -0.369 -1.825 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.587 0.315 0.294 1.00 0.00 H new ATOM 880 N ASP A 133 -12.053 -4.365 -2.883 1.00 0.00 N ATOM 881 CA ASP A 133 -12.375 -3.832 -4.192 1.00 0.00 C ATOM 882 C ASP A 133 -11.880 -2.400 -4.304 1.00 0.00 C ATOM 883 O ASP A 133 -12.150 -1.578 -3.432 1.00 0.00 O ATOM 884 CB ASP A 133 -13.880 -3.897 -4.446 1.00 0.00 C ATOM 885 CG ASP A 133 -14.250 -3.451 -5.843 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.054 -4.234 -6.784 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.747 -2.316 -6.004 1.00 0.00 O ATOM 0 H ASP A 133 -12.707 -4.100 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.877 -4.439 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.228 -4.918 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.396 -3.270 -3.719 1.00 0.00 H new ATOM 892 N PRO A 134 -11.147 -2.087 -5.384 1.00 0.00 N ATOM 893 CA PRO A 134 -10.549 -0.759 -5.583 1.00 0.00 C ATOM 894 C PRO A 134 -11.581 0.349 -5.732 1.00 0.00 C ATOM 895 O PRO A 134 -11.410 1.441 -5.198 1.00 0.00 O ATOM 896 CB PRO A 134 -9.750 -0.912 -6.887 1.00 0.00 C ATOM 897 CG PRO A 134 -10.360 -2.082 -7.582 1.00 0.00 C ATOM 898 CD PRO A 134 -10.846 -3.003 -6.502 1.00 0.00 C ATOM 0 HA PRO A 134 -9.948 -0.467 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.817 -0.012 -7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.693 -1.082 -6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -11.182 -1.768 -8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.630 -2.580 -8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.730 -3.559 -6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.088 -3.737 -6.228 1.00 0.00 H new ATOM 906 N ILE A 135 -12.642 0.068 -6.458 1.00 0.00 N ATOM 907 CA ILE A 135 -13.659 1.067 -6.723 1.00 0.00 C ATOM 908 C ILE A 135 -14.594 1.245 -5.533 1.00 0.00 C ATOM 909 O ILE A 135 -14.817 2.366 -5.072 1.00 0.00 O ATOM 910 CB ILE A 135 -14.468 0.721 -7.991 1.00 0.00 C ATOM 911 CG1 ILE A 135 -13.516 0.428 -9.164 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.422 1.854 -8.348 1.00 0.00 C ATOM 913 CD1 ILE A 135 -12.472 1.511 -9.407 1.00 0.00 C ATOM 0 H ILE A 135 -12.824 -0.844 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 135 -13.141 2.011 -6.892 1.00 0.00 H new ATOM 0 HB ILE A 135 -15.061 -0.171 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -13.006 -0.517 -8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -14.105 0.297 -10.072 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.982 1.589 -9.245 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -16.115 2.020 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -14.852 2.765 -8.532 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.842 1.227 -10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -12.971 2.454 -9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.855 1.628 -8.516 1.00 0.00 H new ATOM 925 N SER A 136 -15.142 0.145 -5.038 1.00 0.00 N ATOM 926 CA SER A 136 -16.033 0.185 -3.889 1.00 0.00 C ATOM 927 C SER A 136 -15.287 0.676 -2.643 1.00 0.00 C ATOM 928 O SER A 136 -15.875 1.314 -1.763 1.00 0.00 O ATOM 929 CB SER A 136 -16.616 -1.202 -3.645 1.00 0.00 C ATOM 930 OG SER A 136 -17.156 -1.740 -4.843 1.00 0.00 O ATOM 0 H SER A 136 -14.984 -0.789 -5.416 1.00 0.00 H new ATOM 0 HA SER A 136 -16.844 0.883 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.841 -1.865 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.394 -1.146 -2.883 1.00 0.00 H new ATOM 0 HG SER A 136 -16.428 -2.065 -5.413 1.00 0.00 H new ATOM 936 N ARG A 137 -13.999 0.339 -2.575 1.00 0.00 N ATOM 937 CA ARG A 137 -13.109 0.771 -1.496 1.00 0.00 C ATOM 938 C ARG A 137 -13.480 0.109 -0.175 1.00 0.00 C ATOM 939 O ARG A 137 -13.457 0.733 0.885 1.00 0.00 O ATOM 940 CB ARG A 137 -13.076 2.301 -1.362 1.00 0.00 C ATOM 941 CG ARG A 137 -12.626 3.009 -2.635 1.00 0.00 C ATOM 942 CD ARG A 137 -12.371 4.487 -2.403 1.00 0.00 C ATOM 943 NE ARG A 137 -13.536 5.179 -1.851 1.00 0.00 N ATOM 944 CZ ARG A 137 -13.593 6.492 -1.631 1.00 0.00 C ATOM 945 NH1 ARG A 137 -12.564 7.273 -1.963 1.00 0.00 N ATOM 946 NH2 ARG A 137 -14.679 7.026 -1.092 1.00 0.00 N ATOM 0 H ARG A 137 -13.540 -0.246 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.102 0.448 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.070 2.656 -1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.405 2.573 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.717 2.539 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.388 2.889 -3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -11.527 4.604 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -12.088 4.955 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.357 4.620 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.730 6.866 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.611 8.278 -1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.471 6.432 -0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.723 8.031 -0.923 1.00 0.00 H new ATOM 960 N ASN A 138 -13.787 -1.172 -0.254 1.00 0.00 N ATOM 961 CA ASN A 138 -14.115 -1.976 0.913 1.00 0.00 C ATOM 962 C ASN A 138 -13.872 -3.439 0.583 1.00 0.00 C ATOM 963 O ASN A 138 -13.521 -3.763 -0.556 1.00 0.00 O ATOM 964 CB ASN A 138 -15.570 -1.748 1.375 1.00 0.00 C ATOM 965 CG ASN A 138 -16.613 -2.226 0.380 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.997 -3.391 0.379 1.00 0.00 O ATOM 967 ND2 ASN A 138 -17.100 -1.321 -0.449 1.00 0.00 N ATOM 0 H ASN A 138 -13.817 -1.689 -1.133 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.474 -1.674 1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.724 -2.262 2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.720 -0.684 1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.822 -1.581 -1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.755 -0.362 -0.417 1.00 0.00 H new ATOM 974 N CYS A 139 -14.054 -4.320 1.548 1.00 0.00 N ATOM 975 CA CYS A 139 -13.809 -5.732 1.305 1.00 0.00 C ATOM 976 C CYS A 139 -15.130 -6.448 1.058 1.00 0.00 C ATOM 977 O CYS A 139 -16.053 -6.380 1.881 1.00 0.00 O ATOM 978 CB CYS A 139 -13.070 -6.373 2.498 1.00 0.00 C ATOM 979 SG CYS A 139 -11.673 -5.382 3.159 1.00 0.00 S ATOM 0 H CYS A 139 -14.365 -4.091 2.492 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.177 -5.829 0.422 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.787 -6.546 3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.692 -7.349 2.192 1.00 0.00 H new ATOM 984 N VAL A 140 -15.216 -7.129 -0.072 1.00 0.00 N ATOM 985 CA VAL A 140 -16.424 -7.834 -0.465 1.00 0.00 C ATOM 986 C VAL A 140 -16.150 -9.321 -0.575 1.00 0.00 C ATOM 987 O VAL A 140 -14.991 -9.738 -0.559 1.00 0.00 O ATOM 988 CB VAL A 140 -16.965 -7.317 -1.828 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.316 -5.841 -1.746 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.955 -7.565 -2.946 1.00 0.00 C ATOM 0 H VAL A 140 -14.451 -7.209 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.175 -7.649 0.303 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.873 -7.873 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.692 -5.502 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.082 -5.691 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.426 -5.269 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.357 -7.194 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -15.025 -7.044 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.760 -8.634 -3.030 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.209 -10.120 -0.682 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.058 -11.564 -0.818 1.00 0.00 C ATOM 1002 C LEU A 141 -16.200 -11.866 -2.042 1.00 0.00 C ATOM 1003 O LEU A 141 -16.545 -11.489 -3.166 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.428 -12.243 -0.934 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.581 -13.584 -0.194 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -17.545 -14.594 -0.656 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -18.493 -13.378 1.314 1.00 0.00 C ATOM 0 H LEU A 141 -18.175 -9.793 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.566 -11.960 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.185 -11.555 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.642 -12.407 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 141 -19.566 -13.985 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -17.682 -15.529 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -17.663 -14.774 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -16.546 -14.205 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -18.603 -14.337 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -17.525 -12.944 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -19.287 -12.705 1.636 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.093 -12.542 -1.815 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.116 -12.784 -2.860 1.00 0.00 C ATOM 1021 C ASP A 142 -14.543 -13.846 -3.861 1.00 0.00 C ATOM 1022 O ASP A 142 -14.329 -15.042 -3.646 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.764 -13.153 -2.234 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.756 -13.679 -3.238 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -11.564 -13.051 -4.286 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.131 -14.725 -2.960 1.00 0.00 O ATOM 0 H ASP A 142 -14.845 -12.937 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.028 -11.856 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.349 -12.274 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.923 -13.906 -1.462 1.00 0.00 H new ATOM 1031 N ASN A 143 -15.215 -13.416 -4.919 1.00 0.00 N ATOM 1032 CA ASN A 143 -15.481 -14.278 -6.052 1.00 0.00 C ATOM 1033 C ASN A 143 -14.975 -13.594 -7.311 1.00 0.00 C ATOM 1034 O ASN A 143 -15.805 -13.229 -8.169 1.00 0.00 O ATOM 1035 CB ASN A 143 -16.985 -14.552 -6.198 1.00 0.00 C ATOM 1036 CG ASN A 143 -17.577 -15.310 -5.035 1.00 0.00 C ATOM 1037 OD1 ASN A 143 -17.573 -16.541 -5.015 1.00 0.00 O ATOM 1038 ND2 ASN A 143 -18.116 -14.590 -4.071 1.00 0.00 N ATOM 1039 OXT ASN A 143 -13.754 -13.365 -7.413 1.00 0.00 O ATOM 0 H ASN A 143 -15.586 -12.470 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 143 -14.973 -15.230 -5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -17.510 -13.603 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -17.155 -15.118 -7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -18.550 -15.051 -3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -18.099 -13.572 -4.125 1.00 0.00 H new TER 1046 ASN A 143