USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ1 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ3 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 123 MET CE :methyl 144:sc= -7.57! (180deg=-12!) USER MOD Set 1.2: A 125 ASN : amide:sc= -1.53! C(o=-9.1!,f=-11!) USER MOD Set 2.1: A 122 LYS NZ :NH3+ -97:sc= 0.289 (180deg=0) USER MOD Set 2.2: A 124 MET CE :methyl 164:sc= -1.71 (180deg=-2.87!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -13.8! C(o=-14!,f=-14!) USER MOD Single : A 85 SER OG : rot 68:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 139:sc= 0.0544 USER MOD Single : A 92 TYR OH : rot 139:sc= -1.16! USER MOD Single : A 94 THR OG1 : rot 50:sc= 0.11 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00162) USER MOD Single : A 107 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.3!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -1.01 K(o=-1,f=-2.9!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 116 CYS SG : rot 167:sc= -1.16! USER MOD Single : A 121 MET CE :methyl -168:sc= 0 (180deg=-0.166) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= -1 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 136 LYS NZ :NH3+ -156:sc= -0.0243 (180deg=-0.258) USER MOD Single : A 142 SER OG : rot -140:sc= -0.106 USER MOD Single : A 144 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 17.518 13.411 -6.586 1.00 0.00 N ATOM 2 CA GLU A 77 16.765 12.256 -7.057 1.00 0.00 C ATOM 3 C GLU A 77 16.824 11.117 -6.045 1.00 0.00 C ATOM 4 O GLU A 77 17.748 10.305 -6.063 1.00 0.00 O ATOM 5 CB GLU A 77 17.308 11.784 -8.406 1.00 0.00 C ATOM 6 CG GLU A 77 16.739 10.448 -8.858 1.00 0.00 C ATOM 7 CD GLU A 77 17.513 9.846 -10.014 1.00 0.00 C ATOM 8 OE1 GLU A 77 18.543 10.432 -10.407 1.00 0.00 O ATOM 9 OE2 GLU A 77 17.088 8.789 -10.527 1.00 0.00 O ATOM 0 HA GLU A 77 15.724 12.557 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.086 12.538 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.393 11.705 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.746 9.752 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.698 10.582 -9.153 1.00 0.00 H new ATOM 16 N ILE A 78 15.833 11.066 -5.161 1.00 0.00 N ATOM 17 CA ILE A 78 15.772 10.030 -4.141 1.00 0.00 C ATOM 18 C ILE A 78 15.450 8.671 -4.754 1.00 0.00 C ATOM 19 O ILE A 78 15.210 8.563 -5.957 1.00 0.00 O ATOM 20 CB ILE A 78 14.713 10.359 -3.072 1.00 0.00 C ATOM 21 CG1 ILE A 78 13.442 10.901 -3.729 1.00 0.00 C ATOM 22 CG2 ILE A 78 15.267 11.361 -2.069 1.00 0.00 C ATOM 23 CD1 ILE A 78 12.170 10.425 -3.064 1.00 0.00 C ATOM 0 H ILE A 78 15.061 11.732 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 78 16.755 9.990 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 78 14.460 9.442 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.468 11.990 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.428 10.602 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.507 11.584 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.146 10.939 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.545 12.279 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.309 10.848 -3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.122 9.337 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.162 10.747 -2.023 1.00 0.00 H new ATOM 35 N SER A 79 15.447 7.637 -3.920 1.00 0.00 N ATOM 36 CA SER A 79 15.155 6.284 -4.382 1.00 0.00 C ATOM 37 C SER A 79 13.831 5.788 -3.810 1.00 0.00 C ATOM 38 O SER A 79 13.689 4.611 -3.477 1.00 0.00 O ATOM 39 CB SER A 79 16.284 5.332 -3.985 1.00 0.00 C ATOM 40 OG SER A 79 17.423 5.521 -4.805 1.00 0.00 O ATOM 0 H SER A 79 15.643 7.709 -2.922 1.00 0.00 H new ATOM 0 HA SER A 79 15.075 6.307 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.552 5.496 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.940 4.301 -4.067 1.00 0.00 H new ATOM 0 HG SER A 79 18.131 4.902 -4.530 1.00 0.00 H new ATOM 46 N GLY A 80 12.863 6.693 -3.697 1.00 0.00 N ATOM 47 CA GLY A 80 11.564 6.328 -3.165 1.00 0.00 C ATOM 48 C GLY A 80 10.423 6.982 -3.920 1.00 0.00 C ATOM 49 O GLY A 80 10.630 7.571 -4.981 1.00 0.00 O ATOM 0 H GLY A 80 12.956 7.673 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.449 5.245 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.512 6.614 -2.115 1.00 0.00 H new ATOM 53 N HIS A 81 9.216 6.876 -3.374 1.00 0.00 N ATOM 54 CA HIS A 81 8.038 7.461 -4.005 1.00 0.00 C ATOM 55 C HIS A 81 6.850 7.459 -3.049 1.00 0.00 C ATOM 56 O HIS A 81 6.987 7.127 -1.872 1.00 0.00 O ATOM 57 CB HIS A 81 7.683 6.694 -5.280 1.00 0.00 C ATOM 58 CG HIS A 81 7.324 5.262 -5.037 1.00 0.00 C ATOM 59 ND1 HIS A 81 6.056 4.757 -5.236 1.00 0.00 N ATOM 60 CD2 HIS A 81 8.077 4.220 -4.611 1.00 0.00 C ATOM 61 CE1 HIS A 81 6.044 3.469 -4.940 1.00 0.00 C ATOM 62 NE2 HIS A 81 7.259 3.119 -4.560 1.00 0.00 N ATOM 0 H HIS A 81 9.028 6.391 -2.497 1.00 0.00 H new ATOM 0 HA HIS A 81 8.271 8.494 -4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.847 7.191 -5.772 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.528 6.736 -5.967 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.252 5.294 -5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.127 4.250 -4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.187 2.815 -4.999 1.00 0.00 H new ATOM 71 N ILE A 82 5.683 7.836 -3.565 1.00 0.00 N ATOM 72 CA ILE A 82 4.469 7.878 -2.759 1.00 0.00 C ATOM 73 C ILE A 82 3.282 7.309 -3.525 1.00 0.00 C ATOM 74 O ILE A 82 2.820 7.899 -4.502 1.00 0.00 O ATOM 75 CB ILE A 82 4.140 9.317 -2.318 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.274 9.881 -1.458 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.821 9.350 -1.560 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.843 11.018 -0.557 1.00 0.00 C ATOM 0 H ILE A 82 5.554 8.116 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 82 4.653 7.267 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 82 4.040 9.941 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.687 9.080 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.075 10.229 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.602 10.373 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.022 8.985 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.893 8.716 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.698 11.367 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.457 11.837 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.063 10.670 0.121 1.00 0.00 H new ATOM 90 N VAL A 83 2.791 6.158 -3.077 1.00 0.00 N ATOM 91 CA VAL A 83 1.657 5.508 -3.720 1.00 0.00 C ATOM 92 C VAL A 83 0.336 6.054 -3.190 1.00 0.00 C ATOM 93 O VAL A 83 -0.037 5.801 -2.044 1.00 0.00 O ATOM 94 CB VAL A 83 1.691 3.983 -3.509 1.00 0.00 C ATOM 95 CG1 VAL A 83 0.853 3.279 -4.565 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.124 3.473 -3.529 1.00 0.00 C ATOM 0 H VAL A 83 3.162 5.656 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 83 1.733 5.722 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 83 1.264 3.761 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.889 2.202 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.179 3.622 -4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.248 3.508 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.128 2.393 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.580 3.707 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.692 3.953 -2.732 1.00 0.00 H new ATOM 106 N ARG A 84 -0.369 6.803 -4.032 1.00 0.00 N ATOM 107 CA ARG A 84 -1.650 7.385 -3.648 1.00 0.00 C ATOM 108 C ARG A 84 -2.807 6.527 -4.150 1.00 0.00 C ATOM 109 O ARG A 84 -2.775 6.017 -5.269 1.00 0.00 O ATOM 110 CB ARG A 84 -1.775 8.805 -4.204 1.00 0.00 C ATOM 111 CG ARG A 84 -1.793 8.865 -5.723 1.00 0.00 C ATOM 112 CD ARG A 84 -0.451 9.319 -6.278 1.00 0.00 C ATOM 113 NE ARG A 84 -0.563 9.799 -7.654 1.00 0.00 N ATOM 114 CZ ARG A 84 -1.169 10.933 -7.992 1.00 0.00 C ATOM 115 NH1 ARG A 84 -1.723 11.694 -7.058 1.00 0.00 N ATOM 116 NH2 ARG A 84 -1.223 11.304 -9.263 1.00 0.00 N ATOM 0 H ARG A 84 -0.075 7.021 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.693 7.423 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.689 9.257 -3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.943 9.405 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.040 7.882 -6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.575 9.550 -6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.048 10.112 -5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.257 8.491 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.153 9.232 -8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.684 11.410 -6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.188 12.564 -7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.799 10.719 -9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.688 12.174 -9.521 1.00 0.00 H new ATOM 130 N SER A 85 -3.828 6.374 -3.313 1.00 0.00 N ATOM 131 CA SER A 85 -4.996 5.576 -3.671 1.00 0.00 C ATOM 132 C SER A 85 -5.722 6.183 -4.868 1.00 0.00 C ATOM 133 O SER A 85 -6.351 7.235 -4.758 1.00 0.00 O ATOM 134 CB SER A 85 -5.951 5.470 -2.481 1.00 0.00 C ATOM 135 OG SER A 85 -7.296 5.350 -2.914 1.00 0.00 O ATOM 0 H SER A 85 -3.871 6.791 -2.383 1.00 0.00 H new ATOM 0 HA SER A 85 -4.654 4.578 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.683 4.606 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.847 6.351 -1.848 1.00 0.00 H new ATOM 0 HG SER A 85 -7.421 4.486 -3.359 1.00 0.00 H new ATOM 141 N PRO A 86 -5.641 5.521 -6.031 1.00 0.00 N ATOM 142 CA PRO A 86 -6.290 5.993 -7.258 1.00 0.00 C ATOM 143 C PRO A 86 -7.809 5.868 -7.196 1.00 0.00 C ATOM 144 O PRO A 86 -8.533 6.751 -7.652 1.00 0.00 O ATOM 145 CB PRO A 86 -5.722 5.070 -8.338 1.00 0.00 C ATOM 146 CG PRO A 86 -5.345 3.825 -7.613 1.00 0.00 C ATOM 147 CD PRO A 86 -4.909 4.260 -6.240 1.00 0.00 C ATOM 0 HA PRO A 86 -6.099 7.051 -7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.460 4.868 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.858 5.519 -8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.188 3.137 -7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.541 3.301 -8.130 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.164 3.518 -5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.830 4.409 -6.190 1.00 0.00 H new ATOM 155 N MET A 87 -8.284 4.765 -6.626 1.00 0.00 N ATOM 156 CA MET A 87 -9.717 4.524 -6.503 1.00 0.00 C ATOM 157 C MET A 87 -10.083 4.144 -5.072 1.00 0.00 C ATOM 158 O MET A 87 -9.358 3.399 -4.412 1.00 0.00 O ATOM 159 CB MET A 87 -10.154 3.418 -7.465 1.00 0.00 C ATOM 160 CG MET A 87 -9.147 3.139 -8.568 1.00 0.00 C ATOM 161 SD MET A 87 -9.165 4.397 -9.859 1.00 0.00 S ATOM 162 CE MET A 87 -8.498 3.472 -11.241 1.00 0.00 C ATOM 0 H MET A 87 -7.697 4.024 -6.242 1.00 0.00 H new ATOM 0 HA MET A 87 -10.239 5.446 -6.760 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.324 2.502 -6.899 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.107 3.696 -7.916 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.148 3.081 -8.136 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.360 2.166 -9.011 1.00 0.00 H new ATOM 0 HE1 MET A 87 -8.446 4.116 -12.119 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.498 3.117 -10.992 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.143 2.620 -11.454 1.00 0.00 H new ATOM 172 N VAL A 88 -11.212 4.659 -4.598 1.00 0.00 N ATOM 173 CA VAL A 88 -11.674 4.371 -3.246 1.00 0.00 C ATOM 174 C VAL A 88 -11.657 2.872 -2.968 1.00 0.00 C ATOM 175 O VAL A 88 -11.618 2.060 -3.892 1.00 0.00 O ATOM 176 CB VAL A 88 -13.098 4.910 -3.011 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.654 4.393 -1.693 1.00 0.00 C ATOM 178 CG2 VAL A 88 -13.105 6.431 -3.041 1.00 0.00 C ATOM 0 H VAL A 88 -11.824 5.278 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.988 4.873 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.740 4.551 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.660 4.784 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.688 3.304 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -13.013 4.720 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.119 6.794 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.449 6.813 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.752 6.777 -4.012 1.00 0.00 H new ATOM 188 N GLY A 89 -11.684 2.513 -1.688 1.00 0.00 N ATOM 189 CA GLY A 89 -11.671 1.111 -1.312 1.00 0.00 C ATOM 190 C GLY A 89 -11.432 0.913 0.173 1.00 0.00 C ATOM 191 O GLY A 89 -12.135 1.490 1.003 1.00 0.00 O ATOM 0 H GLY A 89 -11.715 3.167 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.622 0.655 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.894 0.594 -1.875 1.00 0.00 H new ATOM 195 N THR A 90 -10.439 0.096 0.508 1.00 0.00 N ATOM 196 CA THR A 90 -10.110 -0.175 1.903 1.00 0.00 C ATOM 197 C THR A 90 -8.681 -0.687 2.036 1.00 0.00 C ATOM 198 O THR A 90 -8.364 -1.794 1.599 1.00 0.00 O ATOM 199 CB THR A 90 -11.088 -1.194 2.489 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.412 -0.911 2.075 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.079 -1.231 4.002 1.00 0.00 C ATOM 0 H THR A 90 -9.848 -0.390 -0.167 1.00 0.00 H new ATOM 0 HA THR A 90 -10.193 0.759 2.459 1.00 0.00 H new ATOM 0 HB THR A 90 -10.755 -2.163 2.116 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.874 -1.748 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.795 -1.975 4.352 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.081 -1.494 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.354 -0.251 4.392 1.00 0.00 H new ATOM 209 N PHE A 91 -7.821 0.125 2.640 1.00 0.00 N ATOM 210 CA PHE A 91 -6.423 -0.243 2.831 1.00 0.00 C ATOM 211 C PHE A 91 -6.287 -1.336 3.887 1.00 0.00 C ATOM 212 O PHE A 91 -7.237 -1.636 4.610 1.00 0.00 O ATOM 213 CB PHE A 91 -5.604 0.983 3.241 1.00 0.00 C ATOM 214 CG PHE A 91 -4.123 0.797 3.078 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.573 0.570 1.821 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.277 0.849 4.179 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.206 0.397 1.666 1.00 0.00 C ATOM 218 CE2 PHE A 91 -1.911 0.677 4.032 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.374 0.451 2.774 1.00 0.00 C ATOM 0 H PHE A 91 -8.068 1.044 3.007 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.041 -0.628 1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.922 1.838 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.820 1.222 4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.218 0.528 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.690 1.026 5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.790 0.221 0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.265 0.719 4.896 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.309 0.317 2.657 1.00 0.00 H new ATOM 229 N TYR A 92 -5.099 -1.930 3.968 1.00 0.00 N ATOM 230 CA TYR A 92 -4.841 -2.990 4.935 1.00 0.00 C ATOM 231 C TYR A 92 -3.343 -3.179 5.154 1.00 0.00 C ATOM 232 O TYR A 92 -2.525 -2.633 4.414 1.00 0.00 O ATOM 233 CB TYR A 92 -5.469 -4.299 4.469 1.00 0.00 C ATOM 234 CG TYR A 92 -6.952 -4.393 4.755 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.461 -4.051 6.006 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.843 -4.823 3.773 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.819 -4.135 6.271 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.202 -4.908 4.031 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.685 -4.564 5.280 1.00 0.00 C ATOM 240 OH TYR A 92 -11.033 -4.647 5.540 1.00 0.00 O ATOM 0 H TYR A 92 -4.302 -1.695 3.376 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.292 -2.697 5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.306 -4.409 3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.960 -5.131 4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.788 -3.715 6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.469 -5.094 2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.199 -3.867 7.246 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.881 -5.241 3.260 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.536 -4.322 4.765 1.00 0.00 H new ATOM 250 N ARG A 93 -2.991 -3.953 6.175 1.00 0.00 N ATOM 251 CA ARG A 93 -1.591 -4.210 6.493 1.00 0.00 C ATOM 252 C ARG A 93 -1.374 -5.662 6.902 1.00 0.00 C ATOM 253 O ARG A 93 -0.295 -6.028 7.367 1.00 0.00 O ATOM 254 CB ARG A 93 -1.125 -3.286 7.618 1.00 0.00 C ATOM 255 CG ARG A 93 -0.432 -2.025 7.127 1.00 0.00 C ATOM 256 CD ARG A 93 -0.307 -0.989 8.233 1.00 0.00 C ATOM 257 NE ARG A 93 0.598 -1.426 9.294 1.00 0.00 N ATOM 258 CZ ARG A 93 1.189 -0.596 10.147 1.00 0.00 C ATOM 259 NH1 ARG A 93 0.972 0.710 10.063 1.00 0.00 N ATOM 260 NH2 ARG A 93 1.997 -1.071 11.084 1.00 0.00 N ATOM 0 H ARG A 93 -3.656 -4.413 6.797 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.005 -4.013 5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.986 -3.004 8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.443 -3.835 8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.559 -2.277 6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.992 -1.602 6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.055 -0.051 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.292 -0.790 8.656 1.00 0.00 H new ATOM 0 HE ARG A 93 0.787 -2.424 9.385 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.351 1.078 9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.426 1.346 10.719 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.166 -2.075 11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.450 -0.433 11.738 1.00 0.00 H new ATOM 274 N THR A 94 -2.401 -6.486 6.733 1.00 0.00 N ATOM 275 CA THR A 94 -2.305 -7.894 7.099 1.00 0.00 C ATOM 276 C THR A 94 -3.194 -8.762 6.214 1.00 0.00 C ATOM 277 O THR A 94 -4.378 -8.943 6.496 1.00 0.00 O ATOM 278 CB THR A 94 -2.688 -8.083 8.566 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.862 -7.352 8.877 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.604 -7.642 9.524 1.00 0.00 C ATOM 0 H THR A 94 -3.303 -6.207 6.348 1.00 0.00 H new ATOM 0 HA THR A 94 -1.272 -8.208 6.951 1.00 0.00 H new ATOM 0 HB THR A 94 -2.848 -9.154 8.689 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.553 -7.544 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.937 -7.802 10.549 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.699 -8.222 9.342 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.393 -6.584 9.372 1.00 0.00 H new ATOM 288 N PRO A 95 -2.626 -9.319 5.131 1.00 0.00 N ATOM 289 CA PRO A 95 -3.367 -10.182 4.208 1.00 0.00 C ATOM 290 C PRO A 95 -4.040 -11.342 4.936 1.00 0.00 C ATOM 291 O PRO A 95 -4.313 -11.248 6.132 1.00 0.00 O ATOM 292 CB PRO A 95 -2.293 -10.692 3.233 1.00 0.00 C ATOM 293 CG PRO A 95 -0.981 -10.361 3.866 1.00 0.00 C ATOM 294 CD PRO A 95 -1.222 -9.161 4.731 1.00 0.00 C ATOM 0 HA PRO A 95 -4.175 -9.650 3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.390 -11.766 3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.390 -10.213 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.612 -11.199 4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.226 -10.149 3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.556 -9.145 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.060 -8.231 4.186 1.00 0.00 H new ATOM 302 N SER A 96 -4.306 -12.429 4.208 1.00 0.00 N ATOM 303 CA SER A 96 -4.952 -13.613 4.780 1.00 0.00 C ATOM 304 C SER A 96 -4.703 -13.715 6.282 1.00 0.00 C ATOM 305 O SER A 96 -3.592 -13.469 6.753 1.00 0.00 O ATOM 306 CB SER A 96 -4.445 -14.877 4.084 1.00 0.00 C ATOM 307 OG SER A 96 -3.031 -14.867 3.973 1.00 0.00 O ATOM 0 H SER A 96 -4.083 -12.514 3.216 1.00 0.00 H new ATOM 0 HA SER A 96 -6.026 -13.515 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.763 -15.756 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 96 -4.890 -14.953 3.092 1.00 0.00 H new ATOM 0 HG SER A 96 -2.732 -15.686 3.526 1.00 0.00 H new ATOM 313 N PRO A 97 -5.747 -14.067 7.053 1.00 0.00 N ATOM 314 CA PRO A 97 -5.658 -14.195 8.515 1.00 0.00 C ATOM 315 C PRO A 97 -4.621 -15.223 8.954 1.00 0.00 C ATOM 316 O PRO A 97 -4.954 -16.219 9.596 1.00 0.00 O ATOM 317 CB PRO A 97 -7.064 -14.650 8.926 1.00 0.00 C ATOM 318 CG PRO A 97 -7.945 -14.248 7.795 1.00 0.00 C ATOM 319 CD PRO A 97 -7.101 -14.358 6.557 1.00 0.00 C ATOM 0 HA PRO A 97 -5.344 -13.260 8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.098 -15.727 9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.376 -14.176 9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.819 -14.896 7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.312 -13.230 7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.163 -15.351 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.412 -13.647 5.792 1.00 0.00 H new ATOM 327 N ASP A 98 -3.363 -14.972 8.606 1.00 0.00 N ATOM 328 CA ASP A 98 -2.268 -15.868 8.961 1.00 0.00 C ATOM 329 C ASP A 98 -1.096 -15.698 7.999 1.00 0.00 C ATOM 330 O ASP A 98 -0.452 -16.673 7.614 1.00 0.00 O ATOM 331 CB ASP A 98 -2.742 -17.323 8.946 1.00 0.00 C ATOM 332 CG ASP A 98 -3.022 -17.854 10.339 1.00 0.00 C ATOM 333 OD1 ASP A 98 -2.567 -17.224 11.317 1.00 0.00 O ATOM 334 OD2 ASP A 98 -3.696 -18.899 10.452 1.00 0.00 O ATOM 0 H ASP A 98 -3.075 -14.150 8.075 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.935 -15.612 9.967 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.646 -17.402 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.984 -17.944 8.469 1.00 0.00 H new ATOM 339 N ALA A 99 -0.824 -14.453 7.612 1.00 0.00 N ATOM 340 CA ALA A 99 0.271 -14.165 6.695 1.00 0.00 C ATOM 341 C ALA A 99 1.503 -13.668 7.448 1.00 0.00 C ATOM 342 O ALA A 99 2.281 -14.466 7.972 1.00 0.00 O ATOM 343 CB ALA A 99 -0.170 -13.148 5.653 1.00 0.00 C ATOM 0 H ALA A 99 -1.346 -13.632 7.919 1.00 0.00 H new ATOM 0 HA ALA A 99 0.544 -15.090 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.657 -12.941 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.012 -13.548 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.471 -12.226 6.150 1.00 0.00 H new ATOM 349 N LYS A 100 1.674 -12.349 7.504 1.00 0.00 N ATOM 350 CA LYS A 100 2.813 -11.754 8.197 1.00 0.00 C ATOM 351 C LYS A 100 2.837 -10.242 8.001 1.00 0.00 C ATOM 352 O LYS A 100 3.899 -9.650 7.805 1.00 0.00 O ATOM 353 CB LYS A 100 4.122 -12.365 7.693 1.00 0.00 C ATOM 354 CG LYS A 100 4.391 -12.098 6.222 1.00 0.00 C ATOM 355 CD LYS A 100 5.688 -11.330 6.023 1.00 0.00 C ATOM 356 CE LYS A 100 6.393 -11.751 4.744 1.00 0.00 C ATOM 357 NZ LYS A 100 5.600 -11.404 3.533 1.00 0.00 N ATOM 0 H LYS A 100 1.039 -11.673 7.078 1.00 0.00 H new ATOM 0 HA LYS A 100 2.709 -11.965 9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.949 -11.969 8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.099 -13.442 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.441 -13.044 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.563 -11.532 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.478 -10.261 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.346 -11.498 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.368 -11.267 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.572 -12.826 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.123 -11.692 2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.686 -11.900 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.436 -10.377 3.508 1.00 0.00 H new ATOM 371 N ALA A 101 1.663 -9.622 8.053 1.00 0.00 N ATOM 372 CA ALA A 101 1.553 -8.179 7.879 1.00 0.00 C ATOM 373 C ALA A 101 2.145 -7.741 6.543 1.00 0.00 C ATOM 374 O ALA A 101 3.339 -7.909 6.298 1.00 0.00 O ATOM 375 CB ALA A 101 2.241 -7.457 9.027 1.00 0.00 C ATOM 0 H ALA A 101 0.775 -10.096 8.214 1.00 0.00 H new ATOM 0 HA ALA A 101 0.495 -7.916 7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.152 -6.380 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.770 -7.739 9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.295 -7.734 9.051 1.00 0.00 H new ATOM 381 N PHE A 102 1.300 -7.181 5.683 1.00 0.00 N ATOM 382 CA PHE A 102 1.741 -6.718 4.370 1.00 0.00 C ATOM 383 C PHE A 102 2.963 -5.815 4.492 1.00 0.00 C ATOM 384 O PHE A 102 3.565 -5.708 5.560 1.00 0.00 O ATOM 385 CB PHE A 102 0.608 -5.971 3.663 1.00 0.00 C ATOM 386 CG PHE A 102 0.043 -6.714 2.486 1.00 0.00 C ATOM 387 CD1 PHE A 102 0.885 -7.311 1.555 1.00 0.00 C ATOM 388 CD2 PHE A 102 -1.333 -6.817 2.310 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.366 -7.998 0.469 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.858 -7.502 1.225 1.00 0.00 C ATOM 391 CZ PHE A 102 -1.008 -8.093 0.304 1.00 0.00 C ATOM 0 H PHE A 102 0.308 -7.037 5.870 1.00 0.00 H new ATOM 0 HA PHE A 102 2.016 -7.591 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.191 -5.778 4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.976 -5.001 3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.955 -7.239 1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.999 -6.359 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.030 -8.459 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.928 -7.575 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.415 -8.627 -0.542 1.00 0.00 H new ATOM 401 N ILE A 103 3.325 -5.166 3.389 1.00 0.00 N ATOM 402 CA ILE A 103 4.477 -4.271 3.374 1.00 0.00 C ATOM 403 C ILE A 103 4.147 -2.940 4.043 1.00 0.00 C ATOM 404 O ILE A 103 3.435 -2.111 3.478 1.00 0.00 O ATOM 405 CB ILE A 103 4.961 -4.005 1.936 1.00 0.00 C ATOM 406 CG1 ILE A 103 4.845 -5.274 1.090 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.397 -3.499 1.945 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.371 -6.513 1.783 1.00 0.00 C ATOM 0 H ILE A 103 2.838 -5.243 2.496 1.00 0.00 H new ATOM 0 HA ILE A 103 5.272 -4.767 3.931 1.00 0.00 H new ATOM 0 HB ILE A 103 4.327 -3.237 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.799 -5.431 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.390 -5.130 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.725 -3.316 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.452 -2.572 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.043 -4.247 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.257 -7.374 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.426 -6.376 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.810 -6.682 2.702 1.00 0.00 H new ATOM 420 N GLU A 104 4.669 -2.745 5.251 1.00 0.00 N ATOM 421 CA GLU A 104 4.428 -1.514 5.996 1.00 0.00 C ATOM 422 C GLU A 104 5.736 -0.787 6.294 1.00 0.00 C ATOM 423 O GLU A 104 6.779 -1.100 5.719 1.00 0.00 O ATOM 424 CB GLU A 104 3.693 -1.817 7.301 1.00 0.00 C ATOM 425 CG GLU A 104 3.124 -3.224 7.372 1.00 0.00 C ATOM 426 CD GLU A 104 4.035 -4.186 8.107 1.00 0.00 C ATOM 427 OE1 GLU A 104 5.141 -4.464 7.596 1.00 0.00 O ATOM 428 OE2 GLU A 104 3.645 -4.661 9.194 1.00 0.00 O ATOM 0 H GLU A 104 5.260 -3.422 5.733 1.00 0.00 H new ATOM 0 HA GLU A 104 3.807 -0.865 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.378 -1.670 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.881 -1.100 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.155 -3.195 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.952 -3.593 6.361 1.00 0.00 H new ATOM 435 N VAL A 105 5.671 0.188 7.196 1.00 0.00 N ATOM 436 CA VAL A 105 6.847 0.964 7.572 1.00 0.00 C ATOM 437 C VAL A 105 8.024 0.057 7.916 1.00 0.00 C ATOM 438 O VAL A 105 7.840 -1.052 8.417 1.00 0.00 O ATOM 439 CB VAL A 105 6.555 1.881 8.774 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.579 3.005 8.850 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.144 2.440 8.691 1.00 0.00 C ATOM 0 H VAL A 105 4.815 0.459 7.680 1.00 0.00 H new ATOM 0 HA VAL A 105 7.106 1.577 6.709 1.00 0.00 H new ATOM 0 HB VAL A 105 6.632 1.288 9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.356 3.643 9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.577 2.581 8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.538 3.597 7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.957 3.085 9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.035 3.017 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.427 1.619 8.691 1.00 0.00 H new ATOM 451 N GLY A 106 9.233 0.538 7.644 1.00 0.00 N ATOM 452 CA GLY A 106 10.424 -0.239 7.932 1.00 0.00 C ATOM 453 C GLY A 106 10.418 -1.588 7.243 1.00 0.00 C ATOM 454 O GLY A 106 11.021 -2.545 7.732 1.00 0.00 O ATOM 0 H GLY A 106 9.409 1.453 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.304 0.322 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.507 -0.385 9.009 1.00 0.00 H new ATOM 458 N GLN A 107 9.737 -1.668 6.106 1.00 0.00 N ATOM 459 CA GLN A 107 9.657 -2.911 5.348 1.00 0.00 C ATOM 460 C GLN A 107 10.254 -2.741 3.952 1.00 0.00 C ATOM 461 O GLN A 107 9.544 -2.402 3.005 1.00 0.00 O ATOM 462 CB GLN A 107 8.202 -3.370 5.235 1.00 0.00 C ATOM 463 CG GLN A 107 8.048 -4.753 4.625 1.00 0.00 C ATOM 464 CD GLN A 107 7.984 -5.848 5.672 1.00 0.00 C ATOM 465 OE1 GLN A 107 7.665 -5.594 6.833 1.00 0.00 O ATOM 466 NE2 GLN A 107 8.288 -7.076 5.265 1.00 0.00 N ATOM 0 H GLN A 107 9.232 -0.886 5.688 1.00 0.00 H new ATOM 0 HA GLN A 107 10.233 -3.667 5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.750 -3.367 6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.649 -2.651 4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.142 -4.780 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.885 -4.945 3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.547 -7.241 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.262 -7.853 5.925 1.00 0.00 H new ATOM 475 N LYS A 108 11.560 -2.976 3.823 1.00 0.00 N ATOM 476 CA LYS A 108 12.231 -2.846 2.536 1.00 0.00 C ATOM 477 C LYS A 108 11.408 -3.501 1.432 1.00 0.00 C ATOM 478 O LYS A 108 10.557 -4.350 1.700 1.00 0.00 O ATOM 479 CB LYS A 108 13.622 -3.479 2.596 1.00 0.00 C ATOM 480 CG LYS A 108 13.602 -4.996 2.493 1.00 0.00 C ATOM 481 CD LYS A 108 13.494 -5.456 1.048 1.00 0.00 C ATOM 482 CE LYS A 108 14.737 -6.212 0.608 1.00 0.00 C ATOM 483 NZ LYS A 108 14.538 -7.687 0.657 1.00 0.00 N ATOM 0 H LYS A 108 12.169 -3.256 4.592 1.00 0.00 H new ATOM 0 HA LYS A 108 12.334 -1.785 2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.231 -3.076 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.103 -3.192 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.509 -5.404 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.761 -5.389 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.619 -6.095 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.344 -4.592 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.002 -5.915 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.575 -5.937 1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.409 -8.165 0.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.310 -7.974 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.756 -7.953 0.026 1.00 0.00 H new ATOM 497 N VAL A 109 11.667 -3.106 0.190 1.00 0.00 N ATOM 498 CA VAL A 109 10.948 -3.659 -0.951 1.00 0.00 C ATOM 499 C VAL A 109 11.750 -3.496 -2.237 1.00 0.00 C ATOM 500 O VAL A 109 12.542 -2.563 -2.372 1.00 0.00 O ATOM 501 CB VAL A 109 9.570 -2.990 -1.132 1.00 0.00 C ATOM 502 CG1 VAL A 109 8.524 -4.022 -1.521 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.157 -2.252 0.133 1.00 0.00 C ATOM 0 H VAL A 109 12.368 -2.406 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 109 10.803 -4.720 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 109 9.647 -2.260 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.558 -3.532 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.813 -4.497 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.450 -4.778 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.182 -1.788 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.099 -2.957 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.894 -1.482 0.362 1.00 0.00 H new ATOM 513 N ASN A 110 11.539 -4.409 -3.179 1.00 0.00 N ATOM 514 CA ASN A 110 12.243 -4.366 -4.456 1.00 0.00 C ATOM 515 C ASN A 110 11.278 -4.584 -5.616 1.00 0.00 C ATOM 516 O ASN A 110 10.309 -5.334 -5.499 1.00 0.00 O ATOM 517 CB ASN A 110 13.346 -5.426 -4.489 1.00 0.00 C ATOM 518 CG ASN A 110 12.797 -6.827 -4.669 1.00 0.00 C ATOM 519 OD1 ASN A 110 12.224 -7.153 -5.709 1.00 0.00 O ATOM 520 ND2 ASN A 110 12.968 -7.665 -3.653 1.00 0.00 N ATOM 0 H ASN A 110 10.887 -5.187 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 110 12.693 -3.379 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 110 14.037 -5.202 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.918 -5.379 -3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 110 12.618 -8.621 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.449 -7.352 -2.810 1.00 0.00 H new ATOM 527 N VAL A 111 11.548 -3.922 -6.737 1.00 0.00 N ATOM 528 CA VAL A 111 10.704 -4.043 -7.919 1.00 0.00 C ATOM 529 C VAL A 111 10.329 -5.498 -8.180 1.00 0.00 C ATOM 530 O VAL A 111 11.192 -6.335 -8.441 1.00 0.00 O ATOM 531 CB VAL A 111 11.403 -3.474 -9.168 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.615 -3.814 -10.423 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.588 -1.971 -9.037 1.00 0.00 C ATOM 0 H VAL A 111 12.345 -3.296 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 111 9.800 -3.467 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 111 12.388 -3.933 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.124 -3.404 -11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.540 -4.897 -10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.615 -3.386 -10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.083 -1.586 -9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.615 -1.493 -8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.199 -1.755 -8.161 1.00 0.00 H new ATOM 543 N GLY A 112 9.034 -5.791 -8.107 1.00 0.00 N ATOM 544 CA GLY A 112 8.567 -7.145 -8.338 1.00 0.00 C ATOM 545 C GLY A 112 8.049 -7.803 -7.075 1.00 0.00 C ATOM 546 O GLY A 112 7.801 -9.010 -7.052 1.00 0.00 O ATOM 0 H GLY A 112 8.301 -5.115 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.775 -7.130 -9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.382 -7.742 -8.747 1.00 0.00 H new ATOM 550 N ASP A 113 7.884 -7.012 -6.021 1.00 0.00 N ATOM 551 CA ASP A 113 7.391 -7.524 -4.748 1.00 0.00 C ATOM 552 C ASP A 113 5.976 -7.031 -4.471 1.00 0.00 C ATOM 553 O ASP A 113 5.554 -5.998 -4.990 1.00 0.00 O ATOM 554 CB ASP A 113 8.322 -7.105 -3.612 1.00 0.00 C ATOM 555 CG ASP A 113 9.024 -8.286 -2.973 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.332 -9.258 -2.601 1.00 0.00 O ATOM 557 OD2 ASP A 113 10.266 -8.242 -2.844 1.00 0.00 O ATOM 0 H ASP A 113 8.085 -6.012 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 113 7.369 -8.612 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.067 -6.407 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.748 -6.573 -2.853 1.00 0.00 H new ATOM 562 N THR A 114 5.247 -7.777 -3.647 1.00 0.00 N ATOM 563 CA THR A 114 3.877 -7.414 -3.299 1.00 0.00 C ATOM 564 C THR A 114 3.836 -6.072 -2.576 1.00 0.00 C ATOM 565 O THR A 114 4.874 -5.533 -2.189 1.00 0.00 O ATOM 566 CB THR A 114 3.248 -8.499 -2.422 1.00 0.00 C ATOM 567 OG1 THR A 114 3.946 -9.724 -2.562 1.00 0.00 O ATOM 568 CG2 THR A 114 1.793 -8.759 -2.746 1.00 0.00 C ATOM 0 H THR A 114 5.581 -8.635 -3.208 1.00 0.00 H new ATOM 0 HA THR A 114 3.305 -7.325 -4.223 1.00 0.00 H new ATOM 0 HB THR A 114 3.315 -8.122 -1.402 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.530 -10.404 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.408 -9.538 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.219 -7.844 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.703 -9.082 -3.783 1.00 0.00 H new ATOM 576 N LEU A 115 2.634 -5.538 -2.399 1.00 0.00 N ATOM 577 CA LEU A 115 2.457 -4.258 -1.722 1.00 0.00 C ATOM 578 C LEU A 115 1.381 -4.353 -0.646 1.00 0.00 C ATOM 579 O LEU A 115 1.678 -4.303 0.548 1.00 0.00 O ATOM 580 CB LEU A 115 2.087 -3.171 -2.734 1.00 0.00 C ATOM 581 CG LEU A 115 2.518 -1.754 -2.352 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.890 -1.440 -2.926 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.491 -0.740 -2.832 1.00 0.00 C ATOM 0 H LEU A 115 1.766 -5.971 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 115 3.400 -3.996 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.535 -3.424 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.006 -3.180 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 115 2.581 -1.693 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.180 -0.428 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.619 -2.149 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.856 -1.518 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.812 0.263 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.397 -0.802 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.526 -0.954 -2.372 1.00 0.00 H new ATOM 595 N CYS A 116 0.131 -4.492 -1.076 1.00 0.00 N ATOM 596 CA CYS A 116 -0.990 -4.595 -0.147 1.00 0.00 C ATOM 597 C CYS A 116 -2.318 -4.629 -0.894 1.00 0.00 C ATOM 598 O CYS A 116 -2.432 -4.101 -2.000 1.00 0.00 O ATOM 599 CB CYS A 116 -0.973 -3.421 0.834 1.00 0.00 C ATOM 600 SG CYS A 116 -0.159 -1.938 0.196 1.00 0.00 S ATOM 0 H CYS A 116 -0.132 -4.536 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.885 -5.527 0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.999 -3.172 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.470 -3.733 1.749 1.00 0.00 H new ATOM 0 HG CYS A 116 -0.428 -0.929 0.970 1.00 0.00 H new ATOM 606 N ILE A 117 -3.321 -5.252 -0.282 1.00 0.00 N ATOM 607 CA ILE A 117 -4.643 -5.355 -0.890 1.00 0.00 C ATOM 608 C ILE A 117 -5.442 -4.070 -0.703 1.00 0.00 C ATOM 609 O ILE A 117 -5.421 -3.464 0.368 1.00 0.00 O ATOM 610 CB ILE A 117 -5.446 -6.533 -0.300 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.831 -7.867 -0.721 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.899 -6.458 -0.743 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.771 -8.885 0.397 1.00 0.00 C ATOM 0 H ILE A 117 -3.243 -5.693 0.634 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.483 -5.528 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.409 -6.464 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.410 -8.280 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.823 -7.691 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.452 -7.296 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.337 -5.522 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.950 -6.503 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.323 -9.807 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.167 -8.492 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.779 -9.090 0.756 1.00 0.00 H new ATOM 625 N VAL A 118 -6.151 -3.665 -1.751 1.00 0.00 N ATOM 626 CA VAL A 118 -6.967 -2.459 -1.703 1.00 0.00 C ATOM 627 C VAL A 118 -8.378 -2.783 -1.227 1.00 0.00 C ATOM 628 O VAL A 118 -9.083 -1.924 -0.696 1.00 0.00 O ATOM 629 CB VAL A 118 -7.047 -1.777 -3.083 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.533 -0.344 -2.946 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.696 -1.826 -3.781 1.00 0.00 C ATOM 0 H VAL A 118 -6.177 -4.156 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.490 -1.776 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.767 -2.321 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.582 0.119 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.524 -0.338 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.842 0.216 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.771 -1.340 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.954 -1.309 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.394 -2.865 -3.917 1.00 0.00 H new ATOM 641 N GLU A 119 -8.778 -4.036 -1.419 1.00 0.00 N ATOM 642 CA GLU A 119 -10.100 -4.495 -1.012 1.00 0.00 C ATOM 643 C GLU A 119 -11.183 -3.515 -1.446 1.00 0.00 C ATOM 644 O GLU A 119 -12.140 -3.267 -0.713 1.00 0.00 O ATOM 645 CB GLU A 119 -10.149 -4.692 0.506 1.00 0.00 C ATOM 646 CG GLU A 119 -11.503 -5.159 1.018 1.00 0.00 C ATOM 647 CD GLU A 119 -12.046 -4.269 2.119 1.00 0.00 C ATOM 648 OE1 GLU A 119 -12.618 -3.208 1.796 1.00 0.00 O ATOM 649 OE2 GLU A 119 -11.899 -4.636 3.305 1.00 0.00 O ATOM 0 H GLU A 119 -8.201 -4.755 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.289 -5.449 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.391 -5.420 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.890 -3.752 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.212 -5.182 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.415 -6.180 1.391 1.00 0.00 H new ATOM 656 N ALA A 120 -11.034 -2.963 -2.646 1.00 0.00 N ATOM 657 CA ALA A 120 -12.011 -2.016 -3.172 1.00 0.00 C ATOM 658 C ALA A 120 -13.394 -2.657 -3.231 1.00 0.00 C ATOM 659 O ALA A 120 -14.242 -2.409 -2.374 1.00 0.00 O ATOM 660 CB ALA A 120 -11.588 -1.528 -4.549 1.00 0.00 C ATOM 0 H ALA A 120 -10.250 -3.154 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.058 -1.157 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.327 -0.822 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.618 -1.035 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.515 -2.377 -5.229 1.00 0.00 H new ATOM 666 N MET A 121 -13.608 -3.493 -4.241 1.00 0.00 N ATOM 667 CA MET A 121 -14.876 -4.186 -4.408 1.00 0.00 C ATOM 668 C MET A 121 -14.731 -5.646 -3.998 1.00 0.00 C ATOM 669 O MET A 121 -15.296 -6.541 -4.628 1.00 0.00 O ATOM 670 CB MET A 121 -15.355 -4.092 -5.859 1.00 0.00 C ATOM 671 CG MET A 121 -14.421 -4.763 -6.856 1.00 0.00 C ATOM 672 SD MET A 121 -15.077 -4.755 -8.535 1.00 0.00 S ATOM 673 CE MET A 121 -13.713 -4.014 -9.429 1.00 0.00 C ATOM 0 H MET A 121 -12.915 -3.706 -4.958 1.00 0.00 H new ATOM 0 HA MET A 121 -15.618 -3.709 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.342 -4.547 -5.937 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.466 -3.042 -6.128 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.457 -4.254 -6.844 1.00 0.00 H new ATOM 0 HG3 MET A 121 -14.242 -5.792 -6.545 1.00 0.00 H new ATOM 0 HE1 MET A 121 -14.040 -3.745 -10.434 1.00 0.00 H new ATOM 0 HE2 MET A 121 -13.378 -3.119 -8.905 1.00 0.00 H new ATOM 0 HE3 MET A 121 -12.890 -4.726 -9.493 1.00 0.00 H new ATOM 683 N LYS A 122 -13.954 -5.875 -2.944 1.00 0.00 N ATOM 684 CA LYS A 122 -13.709 -7.223 -2.450 1.00 0.00 C ATOM 685 C LYS A 122 -13.092 -8.083 -3.545 1.00 0.00 C ATOM 686 O LYS A 122 -13.403 -9.267 -3.675 1.00 0.00 O ATOM 687 CB LYS A 122 -15.005 -7.862 -1.944 1.00 0.00 C ATOM 688 CG LYS A 122 -14.862 -8.541 -0.588 1.00 0.00 C ATOM 689 CD LYS A 122 -13.446 -9.051 -0.361 1.00 0.00 C ATOM 690 CE LYS A 122 -13.390 -10.062 0.771 1.00 0.00 C ATOM 691 NZ LYS A 122 -12.745 -9.515 1.961 1.00 0.00 N ATOM 0 H LYS A 122 -13.483 -5.141 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.010 -7.158 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.776 -7.095 -1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.347 -8.596 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.126 -7.837 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.563 -9.373 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.072 -9.509 -1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.789 -8.212 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.401 -10.382 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.848 -10.948 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.746 -9.803 1.978 1.00 0.00 H new ATOM 702 N MET A 123 -12.217 -7.469 -4.332 1.00 0.00 N ATOM 703 CA MET A 123 -11.548 -8.157 -5.427 1.00 0.00 C ATOM 704 C MET A 123 -10.063 -8.342 -5.123 1.00 0.00 C ATOM 705 O MET A 123 -9.270 -8.652 -6.012 1.00 0.00 O ATOM 706 CB MET A 123 -11.723 -7.363 -6.721 1.00 0.00 C ATOM 707 CG MET A 123 -11.714 -5.860 -6.509 1.00 0.00 C ATOM 708 SD MET A 123 -10.158 -5.266 -5.820 1.00 0.00 S ATOM 709 CE MET A 123 -10.003 -3.684 -6.645 1.00 0.00 C ATOM 0 H MET A 123 -11.953 -6.489 -4.230 1.00 0.00 H new ATOM 0 HA MET A 123 -11.999 -9.142 -5.545 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.925 -7.630 -7.414 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.663 -7.651 -7.192 1.00 0.00 H new ATOM 0 HG2 MET A 123 -11.899 -5.362 -7.460 1.00 0.00 H new ATOM 0 HG3 MET A 123 -12.531 -5.586 -5.841 1.00 0.00 H new ATOM 0 HE1 MET A 123 -9.556 -2.961 -5.963 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.370 -3.793 -7.525 1.00 0.00 H new ATOM 0 HE3 MET A 123 -10.989 -3.334 -6.949 1.00 0.00 H new ATOM 719 N MET A 124 -9.696 -8.150 -3.860 1.00 0.00 N ATOM 720 CA MET A 124 -8.310 -8.296 -3.431 1.00 0.00 C ATOM 721 C MET A 124 -7.347 -7.721 -4.466 1.00 0.00 C ATOM 722 O MET A 124 -6.477 -8.428 -4.976 1.00 0.00 O ATOM 723 CB MET A 124 -7.984 -9.770 -3.180 1.00 0.00 C ATOM 724 CG MET A 124 -9.166 -10.578 -2.672 1.00 0.00 C ATOM 725 SD MET A 124 -9.323 -10.523 -0.877 1.00 0.00 S ATOM 726 CE MET A 124 -10.027 -8.891 -0.648 1.00 0.00 C ATOM 0 H MET A 124 -10.342 -7.892 -3.114 1.00 0.00 H new ATOM 0 HA MET A 124 -8.188 -7.738 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.621 -10.216 -4.106 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.172 -9.835 -2.456 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.082 -10.199 -3.125 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.057 -11.614 -2.992 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.443 -8.812 0.356 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.250 -8.138 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.817 -8.729 -1.382 1.00 0.00 H new ATOM 736 N ASN A 125 -7.496 -6.434 -4.764 1.00 0.00 N ATOM 737 CA ASN A 125 -6.624 -5.773 -5.731 1.00 0.00 C ATOM 738 C ASN A 125 -5.310 -5.372 -5.070 1.00 0.00 C ATOM 739 O ASN A 125 -5.067 -4.194 -4.809 1.00 0.00 O ATOM 740 CB ASN A 125 -7.313 -4.541 -6.322 1.00 0.00 C ATOM 741 CG ASN A 125 -6.332 -3.585 -6.975 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.269 -3.991 -7.445 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.686 -2.304 -7.008 1.00 0.00 N ATOM 0 H ASN A 125 -8.208 -5.830 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.413 -6.474 -6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.050 -4.859 -7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.855 -4.018 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.067 -1.615 -7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.577 -2.010 -6.607 1.00 0.00 H new ATOM 750 N GLN A 126 -4.472 -6.363 -4.791 1.00 0.00 N ATOM 751 CA GLN A 126 -3.187 -6.121 -4.149 1.00 0.00 C ATOM 752 C GLN A 126 -2.169 -5.560 -5.136 1.00 0.00 C ATOM 753 O GLN A 126 -1.994 -6.088 -6.233 1.00 0.00 O ATOM 754 CB GLN A 126 -2.657 -7.413 -3.527 1.00 0.00 C ATOM 755 CG GLN A 126 -2.267 -8.467 -4.551 1.00 0.00 C ATOM 756 CD GLN A 126 -2.987 -9.783 -4.336 1.00 0.00 C ATOM 757 OE1 GLN A 126 -3.957 -10.094 -5.026 1.00 0.00 O ATOM 758 NE2 GLN A 126 -2.515 -10.565 -3.371 1.00 0.00 N ATOM 0 H GLN A 126 -4.660 -7.343 -5.000 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.339 -5.380 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.789 -7.180 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.418 -7.826 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.488 -8.095 -5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.191 -8.634 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -1.708 -10.268 -2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -2.960 -11.462 -3.179 1.00 0.00 H new ATOM 767 N ILE A 127 -1.498 -4.487 -4.730 1.00 0.00 N ATOM 768 CA ILE A 127 -0.492 -3.851 -5.569 1.00 0.00 C ATOM 769 C ILE A 127 0.885 -4.454 -5.318 1.00 0.00 C ATOM 770 O ILE A 127 1.142 -5.015 -4.253 1.00 0.00 O ATOM 771 CB ILE A 127 -0.425 -2.332 -5.315 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.829 -1.728 -5.324 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.454 -1.660 -6.359 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.579 -1.959 -6.618 1.00 0.00 C ATOM 0 H ILE A 127 -1.634 -4.040 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.785 -4.026 -6.604 1.00 0.00 H new ATOM 0 HB ILE A 127 0.015 -2.162 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.403 -2.152 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.755 -0.656 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.492 -0.588 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.461 -2.074 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.040 -1.836 -7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.567 -1.503 -6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.027 -1.511 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.684 -3.030 -6.791 1.00 0.00 H new ATOM 786 N GLU A 128 1.767 -4.335 -6.306 1.00 0.00 N ATOM 787 CA GLU A 128 3.119 -4.868 -6.192 1.00 0.00 C ATOM 788 C GLU A 128 4.153 -3.750 -6.273 1.00 0.00 C ATOM 789 O GLU A 128 4.201 -3.005 -7.252 1.00 0.00 O ATOM 790 CB GLU A 128 3.378 -5.900 -7.291 1.00 0.00 C ATOM 791 CG GLU A 128 2.519 -7.148 -7.169 1.00 0.00 C ATOM 792 CD GLU A 128 2.548 -8.000 -8.424 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.856 -7.455 -9.504 1.00 0.00 O ATOM 794 OE2 GLU A 128 2.262 -9.211 -8.325 1.00 0.00 O ATOM 0 H GLU A 128 1.569 -3.874 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 128 3.211 -5.353 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.197 -5.438 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.429 -6.189 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.865 -7.742 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.490 -6.857 -6.955 1.00 0.00 H new ATOM 801 N ALA A 129 4.980 -3.639 -5.239 1.00 0.00 N ATOM 802 CA ALA A 129 6.013 -2.611 -5.193 1.00 0.00 C ATOM 803 C ALA A 129 6.627 -2.388 -6.571 1.00 0.00 C ATOM 804 O ALA A 129 7.329 -3.253 -7.097 1.00 0.00 O ATOM 805 CB ALA A 129 7.090 -2.991 -4.189 1.00 0.00 C ATOM 0 H ALA A 129 4.955 -4.248 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 129 5.548 -1.677 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.855 -2.215 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.645 -3.093 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.543 -3.938 -4.482 1.00 0.00 H new ATOM 811 N ASP A 130 6.360 -1.223 -7.150 1.00 0.00 N ATOM 812 CA ASP A 130 6.888 -0.885 -8.468 1.00 0.00 C ATOM 813 C ASP A 130 8.199 -0.116 -8.347 1.00 0.00 C ATOM 814 O ASP A 130 8.998 -0.080 -9.283 1.00 0.00 O ATOM 815 CB ASP A 130 5.867 -0.057 -9.251 1.00 0.00 C ATOM 816 CG ASP A 130 5.393 1.158 -8.477 1.00 0.00 C ATOM 817 OD1 ASP A 130 6.182 1.692 -7.670 1.00 0.00 O ATOM 818 OD2 ASP A 130 4.232 1.573 -8.678 1.00 0.00 O ATOM 0 H ASP A 130 5.781 -0.496 -6.728 1.00 0.00 H new ATOM 0 HA ASP A 130 7.081 -1.814 -9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.311 0.266 -10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.010 -0.683 -9.500 1.00 0.00 H new ATOM 823 N LYS A 131 8.414 0.498 -7.188 1.00 0.00 N ATOM 824 CA LYS A 131 9.628 1.267 -6.945 1.00 0.00 C ATOM 825 C LYS A 131 10.372 0.737 -5.722 1.00 0.00 C ATOM 826 O LYS A 131 9.879 0.824 -4.597 1.00 0.00 O ATOM 827 CB LYS A 131 9.289 2.746 -6.751 1.00 0.00 C ATOM 828 CG LYS A 131 9.566 3.600 -7.977 1.00 0.00 C ATOM 829 CD LYS A 131 8.394 4.513 -8.298 1.00 0.00 C ATOM 830 CE LYS A 131 8.662 5.350 -9.537 1.00 0.00 C ATOM 831 NZ LYS A 131 8.650 6.808 -9.236 1.00 0.00 N ATOM 0 H LYS A 131 7.763 0.478 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 131 10.276 1.162 -7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.236 2.837 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.864 3.135 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.460 4.200 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.771 2.955 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.496 3.914 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.200 5.169 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.628 5.074 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 131 7.909 5.129 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.837 7.344 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.719 7.077 -8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.385 7.023 -8.533 1.00 0.00 H new ATOM 845 N SER A 132 11.559 0.187 -5.951 1.00 0.00 N ATOM 846 CA SER A 132 12.373 -0.361 -4.872 1.00 0.00 C ATOM 847 C SER A 132 12.531 0.651 -3.740 1.00 0.00 C ATOM 848 O SER A 132 11.917 1.718 -3.757 1.00 0.00 O ATOM 849 CB SER A 132 13.749 -0.770 -5.401 1.00 0.00 C ATOM 850 OG SER A 132 14.296 -1.829 -4.634 1.00 0.00 O ATOM 0 H SER A 132 11.980 0.109 -6.877 1.00 0.00 H new ATOM 0 HA SER A 132 11.865 -1.242 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.665 -1.078 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 132 14.422 0.087 -5.375 1.00 0.00 H new ATOM 0 HG SER A 132 15.175 -2.073 -4.993 1.00 0.00 H new ATOM 856 N GLY A 133 13.358 0.306 -2.758 1.00 0.00 N ATOM 857 CA GLY A 133 13.582 1.193 -1.631 1.00 0.00 C ATOM 858 C GLY A 133 13.108 0.596 -0.320 1.00 0.00 C ATOM 859 O GLY A 133 13.314 -0.590 -0.060 1.00 0.00 O ATOM 0 H GLY A 133 13.877 -0.572 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.645 1.422 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.064 2.136 -1.806 1.00 0.00 H new ATOM 863 N THR A 134 12.471 1.417 0.505 1.00 0.00 N ATOM 864 CA THR A 134 11.965 0.964 1.797 1.00 0.00 C ATOM 865 C THR A 134 10.751 1.783 2.221 1.00 0.00 C ATOM 866 O THR A 134 10.783 3.012 2.200 1.00 0.00 O ATOM 867 CB THR A 134 13.060 1.064 2.859 1.00 0.00 C ATOM 868 OG1 THR A 134 14.220 0.359 2.453 1.00 0.00 O ATOM 869 CG2 THR A 134 12.638 0.520 4.207 1.00 0.00 C ATOM 0 H THR A 134 12.292 2.401 0.304 1.00 0.00 H new ATOM 0 HA THR A 134 11.661 -0.078 1.697 1.00 0.00 H new ATOM 0 HB THR A 134 13.264 2.130 2.964 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.909 0.437 3.145 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.461 0.621 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.776 1.079 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.373 -0.533 4.108 1.00 0.00 H new ATOM 877 N VAL A 135 9.682 1.093 2.605 1.00 0.00 N ATOM 878 CA VAL A 135 8.459 1.762 3.034 1.00 0.00 C ATOM 879 C VAL A 135 8.736 2.724 4.184 1.00 0.00 C ATOM 880 O VAL A 135 9.031 2.301 5.302 1.00 0.00 O ATOM 881 CB VAL A 135 7.386 0.751 3.475 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.139 1.472 3.961 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.051 -0.201 2.336 1.00 0.00 C ATOM 0 H VAL A 135 9.638 0.074 2.628 1.00 0.00 H new ATOM 0 HA VAL A 135 8.087 2.320 2.175 1.00 0.00 H new ATOM 0 HB VAL A 135 7.784 0.165 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.392 0.740 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.394 2.108 4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 135 5.736 2.085 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.291 -0.909 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.674 0.367 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.948 -0.744 2.040 1.00 0.00 H new ATOM 893 N LYS A 136 8.638 4.018 3.904 1.00 0.00 N ATOM 894 CA LYS A 136 8.877 5.039 4.916 1.00 0.00 C ATOM 895 C LYS A 136 7.751 5.058 5.944 1.00 0.00 C ATOM 896 O LYS A 136 8.000 5.104 7.149 1.00 0.00 O ATOM 897 CB LYS A 136 9.010 6.415 4.263 1.00 0.00 C ATOM 898 CG LYS A 136 10.174 7.234 4.798 1.00 0.00 C ATOM 899 CD LYS A 136 11.478 6.454 4.738 1.00 0.00 C ATOM 900 CE LYS A 136 12.159 6.401 6.095 1.00 0.00 C ATOM 901 NZ LYS A 136 12.463 7.761 6.619 1.00 0.00 N ATOM 0 H LYS A 136 8.395 4.385 2.984 1.00 0.00 H new ATOM 0 HA LYS A 136 9.809 4.797 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.131 6.287 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.085 6.971 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.271 8.152 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 136 9.971 7.527 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 136 11.281 5.440 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 136 12.147 6.917 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.518 5.875 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 136 13.083 5.828 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 13.249 7.704 7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 12.730 8.385 5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 11.622 8.146 7.095 1.00 0.00 H new ATOM 915 N ALA A 137 6.513 5.024 5.462 1.00 0.00 N ATOM 916 CA ALA A 137 5.353 5.037 6.346 1.00 0.00 C ATOM 917 C ALA A 137 4.050 5.029 5.554 1.00 0.00 C ATOM 918 O ALA A 137 4.055 5.116 4.326 1.00 0.00 O ATOM 919 CB ALA A 137 5.407 6.248 7.264 1.00 0.00 C ATOM 0 H ALA A 137 6.287 4.987 4.468 1.00 0.00 H new ATOM 0 HA ALA A 137 5.380 4.131 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.536 6.247 7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.314 6.208 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.409 7.159 6.665 1.00 0.00 H new ATOM 925 N ILE A 138 2.934 4.926 6.270 1.00 0.00 N ATOM 926 CA ILE A 138 1.619 4.908 5.644 1.00 0.00 C ATOM 927 C ILE A 138 0.741 6.032 6.185 1.00 0.00 C ATOM 928 O ILE A 138 0.715 6.285 7.389 1.00 0.00 O ATOM 929 CB ILE A 138 0.909 3.559 5.868 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.689 2.430 5.194 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.517 3.613 5.342 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.014 1.080 5.299 1.00 0.00 C ATOM 0 H ILE A 138 2.916 4.854 7.287 1.00 0.00 H new ATOM 0 HA ILE A 138 1.773 5.053 4.575 1.00 0.00 H new ATOM 0 HB ILE A 138 0.871 3.361 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.830 2.675 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.681 2.367 5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -1.003 2.652 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -1.069 4.394 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.503 3.832 4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.624 0.328 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.897 0.812 6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.034 1.126 4.825 1.00 0.00 H new ATOM 944 N LEU A 139 0.029 6.707 5.288 1.00 0.00 N ATOM 945 CA LEU A 139 -0.844 7.808 5.678 1.00 0.00 C ATOM 946 C LEU A 139 -2.310 7.385 5.653 1.00 0.00 C ATOM 947 O LEU A 139 -3.133 7.924 6.395 1.00 0.00 O ATOM 948 CB LEU A 139 -0.631 9.005 4.750 1.00 0.00 C ATOM 949 CG LEU A 139 0.807 9.197 4.264 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.024 10.626 3.791 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.792 8.843 5.368 1.00 0.00 C ATOM 0 H LEU A 139 0.040 6.511 4.287 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.589 8.094 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.280 8.893 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.947 9.910 5.270 1.00 0.00 H new ATOM 0 HG LEU A 139 0.979 8.528 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.052 10.744 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.341 10.845 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.834 11.315 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.810 8.985 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.620 9.488 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.652 7.802 5.660 1.00 0.00 H new ATOM 963 N VAL A 140 -2.631 6.423 4.796 1.00 0.00 N ATOM 964 CA VAL A 140 -3.999 5.932 4.675 1.00 0.00 C ATOM 965 C VAL A 140 -4.466 5.279 5.974 1.00 0.00 C ATOM 966 O VAL A 140 -5.630 5.397 6.353 1.00 0.00 O ATOM 967 CB VAL A 140 -4.132 4.919 3.521 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.460 4.179 3.603 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.990 5.621 2.180 1.00 0.00 C ATOM 0 H VAL A 140 -1.963 5.967 4.174 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.629 6.796 4.462 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.330 4.186 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.533 3.469 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.520 3.643 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.280 4.894 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -4.086 4.892 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.770 6.376 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.012 6.099 2.121 1.00 0.00 H new ATOM 979 N GLU A 141 -3.551 4.590 6.647 1.00 0.00 N ATOM 980 CA GLU A 141 -3.873 3.919 7.902 1.00 0.00 C ATOM 981 C GLU A 141 -4.741 2.692 7.652 1.00 0.00 C ATOM 982 O GLU A 141 -5.970 2.779 7.642 1.00 0.00 O ATOM 983 CB GLU A 141 -4.590 4.880 8.851 1.00 0.00 C ATOM 984 CG GLU A 141 -3.973 6.267 8.892 1.00 0.00 C ATOM 985 CD GLU A 141 -2.636 6.290 9.606 1.00 0.00 C ATOM 986 OE1 GLU A 141 -2.336 5.322 10.335 1.00 0.00 O ATOM 987 OE2 GLU A 141 -1.888 7.276 9.434 1.00 0.00 O ATOM 0 H GLU A 141 -2.583 4.481 6.346 1.00 0.00 H new ATOM 0 HA GLU A 141 -2.939 3.596 8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.634 4.965 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -4.582 4.458 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.843 6.633 7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -4.659 6.951 9.391 1.00 0.00 H new ATOM 994 N SER A 142 -4.096 1.549 7.449 1.00 0.00 N ATOM 995 CA SER A 142 -4.812 0.304 7.199 1.00 0.00 C ATOM 996 C SER A 142 -6.064 0.217 8.067 1.00 0.00 C ATOM 997 O SER A 142 -6.195 0.937 9.057 1.00 0.00 O ATOM 998 CB SER A 142 -3.902 -0.893 7.472 1.00 0.00 C ATOM 999 OG SER A 142 -4.581 -1.892 8.215 1.00 0.00 O ATOM 0 H SER A 142 -3.080 1.459 7.453 1.00 0.00 H new ATOM 0 HA SER A 142 -5.115 0.288 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.554 -1.312 6.528 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.019 -0.565 8.020 1.00 0.00 H new ATOM 0 HG SER A 142 -3.973 -2.272 8.883 1.00 0.00 H new ATOM 1005 N GLY A 143 -6.985 -0.667 7.691 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.212 -0.826 8.450 1.00 0.00 C ATOM 1007 C GLY A 143 -9.198 0.299 8.205 1.00 0.00 C ATOM 1008 O GLY A 143 -10.315 0.276 8.720 1.00 0.00 O ATOM 0 H GLY A 143 -6.903 -1.274 6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.677 -1.776 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -7.974 -0.871 9.513 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.785 1.288 7.418 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.640 2.426 7.107 1.00 0.00 C ATOM 1014 C GLN A 144 -9.881 2.532 5.606 1.00 0.00 C ATOM 1015 O GLN A 144 -8.996 2.237 4.802 1.00 0.00 O ATOM 1016 CB GLN A 144 -9.011 3.720 7.627 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.743 4.975 7.180 1.00 0.00 C ATOM 1018 CD GLN A 144 -8.857 6.205 7.199 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -8.898 7.001 8.137 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.049 6.366 6.158 1.00 0.00 N ATOM 0 H GLN A 144 -7.862 1.323 6.984 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.600 2.272 7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.989 3.691 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -7.976 3.773 7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.130 4.826 6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -10.602 5.141 7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -8.048 5.681 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -7.429 7.175 6.114 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.089 2.957 5.209 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.455 3.105 3.796 1.00 0.00 C ATOM 1031 C PRO A 145 -10.611 4.159 3.087 1.00 0.00 C ATOM 1032 O PRO A 145 -10.498 5.294 3.551 1.00 0.00 O ATOM 1033 CB PRO A 145 -12.924 3.539 3.843 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.118 4.098 5.212 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.193 3.329 6.108 1.00 0.00 C ATOM 0 HA PRO A 145 -11.291 2.183 3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.140 4.285 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.591 2.696 3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -12.887 5.163 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.153 3.989 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.845 3.936 6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.680 2.451 6.532 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.017 3.776 1.961 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.181 4.686 1.188 1.00 0.00 C ATOM 1045 C VAL A 146 -10.031 5.631 0.344 1.00 0.00 C ATOM 1046 O VAL A 146 -11.152 5.298 -0.040 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.219 3.919 0.263 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.512 2.810 1.026 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.966 3.358 -0.938 1.00 0.00 C ATOM 0 H VAL A 146 -10.100 2.840 1.564 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.599 5.265 1.905 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.463 4.615 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.837 2.280 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -6.941 3.241 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -8.250 2.113 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -8.270 2.819 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.745 2.677 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.419 4.175 -1.499 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.489 6.810 0.060 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.196 7.803 -0.740 1.00 0.00 C ATOM 1061 C GLU A 147 -9.322 8.299 -1.887 1.00 0.00 C ATOM 1062 O GLU A 147 -8.108 8.443 -1.740 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.624 8.982 0.136 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.614 9.916 -0.542 1.00 0.00 C ATOM 1065 CD GLU A 147 -11.187 11.369 -0.469 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -11.400 11.997 0.590 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -10.641 11.878 -1.470 1.00 0.00 O ATOM 0 H GLU A 147 -8.563 7.101 0.372 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.083 7.330 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -11.069 8.599 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.739 9.550 0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.725 9.626 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.592 9.804 -0.074 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.948 8.557 -3.031 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.230 9.036 -4.206 1.00 0.00 C ATOM 1076 C PHE A 148 -8.094 9.971 -3.808 1.00 0.00 C ATOM 1077 O PHE A 148 -8.300 10.937 -3.072 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.187 9.753 -5.155 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.866 9.537 -6.608 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.858 10.269 -7.226 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -10.573 8.602 -7.356 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.561 10.071 -8.566 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -10.280 8.400 -8.696 1.00 0.00 C ATOM 1084 CZ PHE A 148 -9.273 9.135 -9.301 1.00 0.00 C ATOM 0 H PHE A 148 -10.952 8.442 -3.169 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.802 8.173 -4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -11.203 9.410 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.165 10.822 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.301 10.999 -6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -11.359 8.027 -6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.776 10.645 -9.037 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -10.836 7.671 -9.267 1.00 0.00 H new ATOM 0 HZ PHE A 148 -9.043 8.979 -10.345 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.894 9.678 -4.297 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.723 10.492 -3.991 1.00 0.00 C ATOM 1096 C ASP A 149 -5.377 10.408 -2.508 1.00 0.00 C ATOM 1097 O ASP A 149 -5.451 11.402 -1.785 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.970 11.948 -4.387 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.905 12.481 -5.326 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -3.754 12.003 -5.247 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -5.222 13.375 -6.138 1.00 0.00 O ATOM 0 H ASP A 149 -6.706 8.883 -4.907 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.881 10.105 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.946 12.031 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.001 12.565 -3.489 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.999 9.215 -2.062 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.641 9.002 -0.664 1.00 0.00 C ATOM 1108 C GLU A 150 -3.332 8.225 -0.548 1.00 0.00 C ATOM 1109 O GLU A 150 -3.241 7.075 -0.979 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.761 8.249 0.058 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.638 9.143 0.918 1.00 0.00 C ATOM 1112 CD GLU A 150 -6.258 9.095 2.385 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -5.087 8.780 2.685 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -7.131 9.373 3.234 1.00 0.00 O ATOM 0 H GLU A 150 -4.933 8.382 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.504 9.977 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.384 7.745 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.321 7.474 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.564 10.170 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.679 8.841 0.806 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.299 8.850 0.037 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.987 8.219 0.211 1.00 0.00 C ATOM 1123 C PRO A 151 -1.084 6.865 0.909 1.00 0.00 C ATOM 1124 O PRO A 151 -1.035 6.783 2.137 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.221 9.216 1.084 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.880 10.528 0.829 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.330 10.221 0.576 1.00 0.00 C ATOM 0 HA PRO A 151 -0.505 8.014 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.276 8.943 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.836 9.245 0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.766 11.195 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.432 11.030 -0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.919 10.280 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.772 10.922 -0.133 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.221 5.807 0.117 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.324 4.456 0.658 1.00 0.00 C ATOM 1137 C LEU A 152 -0.039 4.057 1.374 1.00 0.00 C ATOM 1138 O LEU A 152 -0.055 3.720 2.557 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.629 3.460 -0.461 1.00 0.00 C ATOM 1140 CG LEU A 152 -3.059 3.512 -1.001 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -3.146 2.816 -2.351 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -4.025 2.879 -0.010 1.00 0.00 C ATOM 0 H LEU A 152 -1.263 5.858 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 152 -2.140 4.441 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.939 3.640 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.432 2.453 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.339 4.557 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -4.171 2.863 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.483 3.312 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.847 1.773 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -5.038 2.924 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.746 1.838 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.983 3.420 0.935 1.00 0.00 H new ATOM 1154 N VAL A 153 1.073 4.097 0.648 1.00 0.00 N ATOM 1155 CA VAL A 153 2.367 3.740 1.213 1.00 0.00 C ATOM 1156 C VAL A 153 3.494 4.515 0.541 1.00 0.00 C ATOM 1157 O VAL A 153 3.717 4.385 -0.663 1.00 0.00 O ATOM 1158 CB VAL A 153 2.645 2.232 1.072 1.00 0.00 C ATOM 1159 CG1 VAL A 153 3.949 1.864 1.764 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.488 1.419 1.634 1.00 0.00 C ATOM 0 H VAL A 153 1.103 4.373 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 153 2.331 3.999 2.271 1.00 0.00 H new ATOM 0 HB VAL A 153 2.742 1.997 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.130 0.795 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.770 2.419 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.882 2.114 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.703 0.356 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.356 1.656 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.575 1.662 1.090 1.00 0.00 H new ATOM 1170 N VAL A 154 4.201 5.320 1.325 1.00 0.00 N ATOM 1171 CA VAL A 154 5.306 6.114 0.804 1.00 0.00 C ATOM 1172 C VAL A 154 6.629 5.367 0.936 1.00 0.00 C ATOM 1173 O VAL A 154 7.036 4.996 2.038 1.00 0.00 O ATOM 1174 CB VAL A 154 5.418 7.468 1.528 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.057 8.141 1.616 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.020 7.285 2.913 1.00 0.00 C ATOM 0 H VAL A 154 4.029 5.440 2.323 1.00 0.00 H new ATOM 0 HA VAL A 154 5.096 6.293 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 154 6.080 8.113 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.156 9.097 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.668 8.309 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.370 7.501 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.091 8.253 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.386 6.622 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.015 6.849 2.823 1.00 0.00 H new ATOM 1186 N ILE A 155 7.293 5.151 -0.194 1.00 0.00 N ATOM 1187 CA ILE A 155 8.570 4.447 -0.210 1.00 0.00 C ATOM 1188 C ILE A 155 9.740 5.424 -0.159 1.00 0.00 C ATOM 1189 O ILE A 155 9.669 6.522 -0.710 1.00 0.00 O ATOM 1190 CB ILE A 155 8.708 3.567 -1.467 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.386 2.857 -1.766 1.00 0.00 C ATOM 1192 CG2 ILE A 155 9.832 2.558 -1.287 1.00 0.00 C ATOM 1193 CD1 ILE A 155 6.777 2.180 -0.557 1.00 0.00 C ATOM 0 H ILE A 155 6.968 5.454 -1.112 1.00 0.00 H new ATOM 0 HA ILE A 155 8.592 3.813 0.676 1.00 0.00 H new ATOM 0 HB ILE A 155 8.954 4.206 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 155 6.675 3.582 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.551 2.112 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 155 9.917 1.944 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.771 3.085 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 155 9.615 1.921 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 155 5.842 1.697 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.469 1.431 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 155 6.580 2.923 0.216 1.00 0.00 H new ATOM 1205 N GLU A 156 10.815 5.015 0.505 1.00 0.00 N ATOM 1206 CA GLU A 156 12.002 5.852 0.628 1.00 0.00 C ATOM 1207 C GLU A 156 13.166 5.063 1.219 1.00 0.00 C ATOM 1208 O GLU A 156 13.709 4.190 0.509 1.00 0.00 O ATOM 1209 CB GLU A 156 11.704 7.074 1.499 1.00 0.00 C ATOM 1210 CG GLU A 156 11.565 8.364 0.711 1.00 0.00 C ATOM 1211 CD GLU A 156 12.895 9.056 0.487 1.00 0.00 C ATOM 1212 OE1 GLU A 156 13.450 9.606 1.461 1.00 0.00 O ATOM 1213 OE2 GLU A 156 13.383 9.046 -0.663 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.525 5.325 2.386 1.00 0.00 O ATOM 0 H GLU A 156 10.889 4.108 0.967 1.00 0.00 H new ATOM 0 HA GLU A 156 12.284 6.187 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 156 10.783 6.897 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.502 7.190 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 156 11.105 8.149 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 156 10.893 9.039 1.241 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -13.170 -9.740 3.200 1.00 0.00 C HETATM 1223 O11 BTN A 222 -13.585 -10.851 3.530 1.00 0.00 O HETATM 1224 C10 BTN A 222 -13.156 -8.633 4.236 1.00 0.00 C HETATM 1225 C9 BTN A 222 -11.939 -8.697 5.144 1.00 0.00 C HETATM 1226 C8 BTN A 222 -11.067 -7.460 4.992 1.00 0.00 C HETATM 1227 C7 BTN A 222 -9.603 -7.769 5.266 1.00 0.00 C HETATM 1228 C2 BTN A 222 -8.834 -8.239 4.027 1.00 0.00 C HETATM 1229 S1 BTN A 222 -9.529 -9.718 3.177 1.00 0.00 S HETATM 1230 C6 BTN A 222 -7.888 -10.140 2.463 1.00 0.00 C HETATM 1231 C5 BTN A 222 -6.870 -9.781 3.538 1.00 0.00 C HETATM 1232 N1 BTN A 222 -6.713 -10.839 4.530 1.00 0.00 N HETATM 1233 C3 BTN A 222 -7.047 -10.487 5.772 1.00 0.00 C HETATM 1234 O3 BTN A 222 -7.000 -11.202 6.772 1.00 0.00 O HETATM 1235 N2 BTN A 222 -7.442 -9.217 5.724 1.00 0.00 N HETATM 1236 C4 BTN A 222 -7.390 -8.625 4.394 1.00 0.00 C HETATM 0 H102 BTN A 222 -13.177 -7.667 3.731 1.00 0.00 H new HETATM 0 H101 BTN A 222 -14.060 -8.696 4.842 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -7.754 -8.702 6.548 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -6.375 -11.772 4.293 1.00 0.00 H new HETATM 0 H92 BTN A 222 -12.261 -8.791 6.181 1.00 0.00 H new HETATM 0 H91 BTN A 222 -11.355 -9.587 4.910 1.00 0.00 H new HETATM 0 H82 BTN A 222 -11.173 -7.062 3.983 1.00 0.00 H new HETATM 0 H81 BTN A 222 -11.410 -6.686 5.678 1.00 0.00 H new HETATM 0 H72 BTN A 222 -9.121 -6.877 5.666 1.00 0.00 H new HETATM 0 H71 BTN A 222 -9.540 -8.538 6.036 1.00 0.00 H new HETATM 0 H62 BTN A 222 -7.832 -11.198 2.208 1.00 0.00 H new HETATM 0 H61 BTN A 222 -7.704 -9.580 1.546 1.00 0.00 H new HETATM 0 H5 BTN A 222 -5.950 -9.571 2.992 1.00 0.00 H new HETATM 0 H4 BTN A 222 -6.771 -7.735 4.282 1.00 0.00 H new HETATM 0 H2 BTN A 222 -8.902 -7.383 3.356 1.00 0.00 H new