USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 776 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 89 THR OG1 : rot 71:sc= 1.11 USER MOD Set 1.2: A 99 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 41 MET CE :methyl 155:sc= -0.51 (180deg=-0.211) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -0.122 USER MOD Set 3.1: A 28 MET CE :methyl -138:sc= -32.6! (180deg=-31.1!) USER MOD Set 3.2: A 80 MET CE :methyl -178:sc= -3.2 (180deg=-1.5) USER MOD Set 4.1: A 21 MET CE :methyl -131:sc= -29.2! (180deg=-0.628) USER MOD Set 4.2: A 83 HIS :FLIP no HE2:sc= -22.1! C(o=-54!,f=-51!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -140:sc= -0.0937 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00127 USER MOD Single : A 29 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.27) USER MOD Single : A 33 SER OG : rot -111:sc= 1.04 USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -0.0368 (180deg=-0.332) USER MOD Single : A 49 ASN : amide:sc= -6.87! C(o=-6.9!,f=-6.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 76:sc= 1.15 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -13.8! C(o=-17!,f=-14!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -21:sc= -9.35! USER MOD Single : A 78 SER OG : rot 87:sc= 1.14 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= -0.0957 (180deg=-0.104) USER MOD Single : A 88 HIS : no HD1:sc= -23.8! C(o=-24!,f=-28!) USER MOD Single : A 91 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.2!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 6:sc= 1.49 USER MOD Single : A 96 SER OG : rot 58:sc= 0.145 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= -0.534 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 -0.138 9.607 -4.993 1.00 0.00 N ATOM 2 CA GLU A 12 0.988 8.948 -5.624 1.00 0.00 C ATOM 3 C GLU A 12 1.799 9.958 -6.424 1.00 0.00 C ATOM 4 O GLU A 12 1.240 10.879 -7.014 1.00 0.00 O ATOM 5 CB GLU A 12 0.478 7.828 -6.526 1.00 0.00 C ATOM 6 CG GLU A 12 1.442 7.637 -7.694 1.00 0.00 C ATOM 7 CD GLU A 12 1.207 8.687 -8.770 1.00 0.00 C ATOM 8 OE1 GLU A 12 2.073 9.581 -8.889 1.00 0.00 O ATOM 9 OE2 GLU A 12 0.166 8.577 -9.453 1.00 0.00 O ATOM 0 HA GLU A 12 1.636 8.518 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.389 6.902 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.517 8.071 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.470 7.701 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.313 6.641 -8.118 1.00 0.00 H new ATOM 17 N ALA A 13 3.122 9.781 -6.442 1.00 0.00 N ATOM 18 CA ALA A 13 4.003 10.674 -7.166 1.00 0.00 C ATOM 19 C ALA A 13 5.430 10.512 -6.663 1.00 0.00 C ATOM 20 O ALA A 13 6.350 10.311 -7.453 1.00 0.00 O ATOM 21 CB ALA A 13 3.527 12.113 -6.987 1.00 0.00 C ATOM 0 H ALA A 13 3.600 9.021 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 13 3.983 10.428 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.190 12.786 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.513 12.211 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.539 12.371 -5.928 1.00 0.00 H new ATOM 27 N PRO A 14 5.613 10.599 -5.343 1.00 0.00 N ATOM 28 CA PRO A 14 6.896 10.469 -4.687 1.00 0.00 C ATOM 29 C PRO A 14 7.343 9.014 -4.724 1.00 0.00 C ATOM 30 O PRO A 14 8.430 8.685 -4.254 1.00 0.00 O ATOM 31 CB PRO A 14 6.650 10.929 -3.252 1.00 0.00 C ATOM 32 CG PRO A 14 5.186 10.558 -3.023 1.00 0.00 C ATOM 33 CD PRO A 14 4.554 10.834 -4.386 1.00 0.00 C ATOM 0 HA PRO A 14 7.679 11.055 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.310 10.424 -2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.819 12.000 -3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.074 9.515 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.733 11.162 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.704 10.176 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.184 11.857 -4.450 1.00 0.00 H new ATOM 41 N LEU A 15 6.501 8.143 -5.284 1.00 0.00 N ATOM 42 CA LEU A 15 6.812 6.730 -5.378 1.00 0.00 C ATOM 43 C LEU A 15 6.532 6.233 -6.789 1.00 0.00 C ATOM 44 O LEU A 15 6.058 6.989 -7.634 1.00 0.00 O ATOM 45 CB LEU A 15 5.980 5.958 -4.358 1.00 0.00 C ATOM 46 CG LEU A 15 5.509 6.909 -3.261 1.00 0.00 C ATOM 47 CD1 LEU A 15 4.422 6.231 -2.432 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.687 7.268 -2.359 1.00 0.00 C ATOM 0 H LEU A 15 5.596 8.401 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 15 7.868 6.571 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.122 5.497 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.572 5.152 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 15 5.108 7.816 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.085 6.910 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.581 5.974 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.822 5.324 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.351 7.947 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.088 6.361 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.464 7.752 -2.951 1.00 0.00 H new ATOM 60 N THR A 16 6.828 4.956 -7.044 1.00 0.00 N ATOM 61 CA THR A 16 6.605 4.369 -8.349 1.00 0.00 C ATOM 62 C THR A 16 6.376 2.871 -8.212 1.00 0.00 C ATOM 63 O THR A 16 5.452 2.323 -8.809 1.00 0.00 O ATOM 64 CB THR A 16 7.807 4.653 -9.245 1.00 0.00 C ATOM 65 OG1 THR A 16 8.452 5.828 -8.807 1.00 0.00 O ATOM 66 CG2 THR A 16 7.336 4.838 -10.685 1.00 0.00 C ATOM 0 H THR A 16 7.223 4.315 -6.356 1.00 0.00 H new ATOM 0 HA THR A 16 5.717 4.810 -8.802 1.00 0.00 H new ATOM 0 HB THR A 16 8.503 3.816 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.225 6.010 -9.381 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.194 5.041 -11.325 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.837 3.930 -11.024 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.640 5.675 -10.735 1.00 0.00 H new ATOM 74 N VAL A 17 7.224 2.207 -7.422 1.00 0.00 N ATOM 75 CA VAL A 17 7.112 0.778 -7.210 1.00 0.00 C ATOM 76 C VAL A 17 8.358 0.264 -6.503 1.00 0.00 C ATOM 77 O VAL A 17 8.285 -0.680 -5.720 1.00 0.00 O ATOM 78 CB VAL A 17 6.923 0.078 -8.553 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.988 -1.002 -8.718 1.00 0.00 C ATOM 80 CG2 VAL A 17 5.538 -0.560 -8.603 1.00 0.00 C ATOM 0 H VAL A 17 7.996 2.647 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 17 6.248 0.565 -6.581 1.00 0.00 H new ATOM 0 HB VAL A 17 7.017 0.806 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.853 -1.502 -9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.977 -0.546 -8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.895 -1.731 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.402 -1.060 -9.562 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.444 -1.288 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.777 0.212 -8.485 1.00 0.00 H new ATOM 90 N LYS A 18 9.505 0.888 -6.782 1.00 0.00 N ATOM 91 CA LYS A 18 10.758 0.490 -6.172 1.00 0.00 C ATOM 92 C LYS A 18 11.115 1.451 -5.047 1.00 0.00 C ATOM 93 O LYS A 18 12.188 1.349 -4.457 1.00 0.00 O ATOM 94 CB LYS A 18 11.855 0.469 -7.233 1.00 0.00 C ATOM 95 CG LYS A 18 11.623 -0.704 -8.181 1.00 0.00 C ATOM 96 CD LYS A 18 12.728 -1.739 -7.991 1.00 0.00 C ATOM 97 CE LYS A 18 12.189 -3.127 -8.326 1.00 0.00 C ATOM 98 NZ LYS A 18 13.116 -4.176 -7.874 1.00 0.00 N ATOM 0 H LYS A 18 9.583 1.672 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 18 10.659 -0.510 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.855 1.406 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.833 0.380 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.650 -1.155 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.611 -0.354 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.577 -1.502 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.089 -1.716 -6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.217 -3.267 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.035 -3.211 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.727 -5.110 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.035 -4.053 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.242 -4.107 -6.844 1.00 0.00 H new ATOM 112 N SER A 19 10.210 2.386 -4.750 1.00 0.00 N ATOM 113 CA SER A 19 10.433 3.358 -3.698 1.00 0.00 C ATOM 114 C SER A 19 10.745 2.642 -2.391 1.00 0.00 C ATOM 115 O SER A 19 10.263 1.536 -2.156 1.00 0.00 O ATOM 116 CB SER A 19 9.196 4.239 -3.550 1.00 0.00 C ATOM 117 OG SER A 19 9.569 5.594 -3.663 1.00 0.00 O ATOM 0 H SER A 19 9.315 2.484 -5.230 1.00 0.00 H new ATOM 0 HA SER A 19 11.284 3.989 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.463 3.987 -4.316 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.722 4.060 -2.585 1.00 0.00 H new ATOM 0 HG SER A 19 9.068 6.127 -3.011 1.00 0.00 H new ATOM 123 N ASP A 20 11.553 3.277 -1.540 1.00 0.00 N ATOM 124 CA ASP A 20 11.925 2.699 -0.264 1.00 0.00 C ATOM 125 C ASP A 20 10.723 1.998 0.354 1.00 0.00 C ATOM 126 O ASP A 20 9.757 2.649 0.745 1.00 0.00 O ATOM 127 CB ASP A 20 12.443 3.798 0.660 1.00 0.00 C ATOM 128 CG ASP A 20 13.961 3.745 0.769 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.612 3.936 -0.281 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.441 3.515 1.900 1.00 0.00 O ATOM 0 H ASP A 20 11.960 4.195 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 20 12.715 1.963 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.135 4.773 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.999 3.686 1.649 1.00 0.00 H new ATOM 136 N MET A 21 10.784 0.667 0.440 1.00 0.00 N ATOM 137 CA MET A 21 9.700 -0.110 1.006 1.00 0.00 C ATOM 138 C MET A 21 9.170 0.575 2.258 1.00 0.00 C ATOM 139 O MET A 21 7.961 0.652 2.462 1.00 0.00 O ATOM 140 CB MET A 21 10.199 -1.516 1.330 1.00 0.00 C ATOM 141 CG MET A 21 9.915 -2.441 0.151 1.00 0.00 C ATOM 142 SD MET A 21 11.039 -2.214 -1.249 1.00 0.00 S ATOM 143 CE MET A 21 12.573 -2.797 -0.486 1.00 0.00 C ATOM 0 H MET A 21 11.578 0.112 0.122 1.00 0.00 H new ATOM 0 HA MET A 21 8.886 -0.183 0.285 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.268 -1.494 1.540 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.706 -1.891 2.227 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.978 -3.475 0.490 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.892 -2.278 -0.187 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.367 -2.073 -0.666 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.424 -2.913 0.588 1.00 0.00 H new ATOM 0 HE3 MET A 21 12.853 -3.757 -0.919 1.00 0.00 H new ATOM 153 N SER A 22 10.081 1.073 3.097 1.00 0.00 N ATOM 154 CA SER A 22 9.702 1.749 4.322 1.00 0.00 C ATOM 155 C SER A 22 8.959 3.037 3.992 1.00 0.00 C ATOM 156 O SER A 22 8.002 3.396 4.674 1.00 0.00 O ATOM 157 CB SER A 22 10.950 2.041 5.148 1.00 0.00 C ATOM 158 OG SER A 22 11.887 2.736 4.355 1.00 0.00 O ATOM 0 H SER A 22 11.088 1.016 2.942 1.00 0.00 H new ATOM 0 HA SER A 22 9.039 1.110 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.688 2.634 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.385 1.110 5.511 1.00 0.00 H new ATOM 0 HG SER A 22 12.689 2.925 4.886 1.00 0.00 H new ATOM 164 N ALA A 23 9.403 3.731 2.942 1.00 0.00 N ATOM 165 CA ALA A 23 8.781 4.972 2.528 1.00 0.00 C ATOM 166 C ALA A 23 7.371 4.700 2.024 1.00 0.00 C ATOM 167 O ALA A 23 6.469 5.508 2.232 1.00 0.00 O ATOM 168 CB ALA A 23 9.627 5.626 1.439 1.00 0.00 C ATOM 0 H ALA A 23 10.195 3.446 2.366 1.00 0.00 H new ATOM 0 HA ALA A 23 8.717 5.652 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.160 6.560 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.625 5.831 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.702 4.954 0.584 1.00 0.00 H new ATOM 174 N ILE A 24 7.183 3.556 1.360 1.00 0.00 N ATOM 175 CA ILE A 24 5.887 3.181 0.832 1.00 0.00 C ATOM 176 C ILE A 24 4.920 2.919 1.978 1.00 0.00 C ATOM 177 O ILE A 24 3.864 3.542 2.055 1.00 0.00 O ATOM 178 CB ILE A 24 6.036 1.941 -0.046 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.801 2.305 -1.315 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.653 1.414 -0.419 1.00 0.00 C ATOM 181 CD1 ILE A 24 6.051 3.403 -2.064 1.00 0.00 C ATOM 0 H ILE A 24 7.922 2.877 1.179 1.00 0.00 H new ATOM 0 HA ILE A 24 5.487 3.993 0.225 1.00 0.00 H new ATOM 0 HB ILE A 24 6.583 1.172 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.806 2.644 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.911 1.426 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.758 0.529 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.106 1.154 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.106 2.182 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.597 3.663 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.055 3.047 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.964 4.284 -1.427 1.00 0.00 H new ATOM 193 N VAL A 25 5.284 1.994 2.869 1.00 0.00 N ATOM 194 CA VAL A 25 4.450 1.654 4.004 1.00 0.00 C ATOM 195 C VAL A 25 4.127 2.911 4.799 1.00 0.00 C ATOM 196 O VAL A 25 2.999 3.087 5.255 1.00 0.00 O ATOM 197 CB VAL A 25 5.171 0.632 4.877 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.217 0.116 5.951 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.641 -0.534 4.012 1.00 0.00 C ATOM 0 H VAL A 25 6.157 1.469 2.818 1.00 0.00 H new ATOM 0 HA VAL A 25 3.514 1.217 3.656 1.00 0.00 H new ATOM 0 HB VAL A 25 6.032 1.103 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.732 -0.614 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.881 0.948 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.356 -0.355 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.156 -1.265 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.780 -1.005 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.323 -0.166 3.245 1.00 0.00 H new ATOM 209 N ARG A 26 5.121 3.787 4.964 1.00 0.00 N ATOM 210 CA ARG A 26 4.938 5.020 5.703 1.00 0.00 C ATOM 211 C ARG A 26 3.797 5.822 5.094 1.00 0.00 C ATOM 212 O ARG A 26 2.885 6.243 5.802 1.00 0.00 O ATOM 213 CB ARG A 26 6.236 5.823 5.678 1.00 0.00 C ATOM 214 CG ARG A 26 6.766 5.977 7.101 1.00 0.00 C ATOM 215 CD ARG A 26 8.259 5.663 7.124 1.00 0.00 C ATOM 216 NE ARG A 26 8.698 5.296 8.471 1.00 0.00 N ATOM 217 CZ ARG A 26 8.946 6.204 9.425 1.00 0.00 C ATOM 218 NH1 ARG A 26 8.793 7.509 9.165 1.00 0.00 N ATOM 219 NH2 ARG A 26 9.347 5.806 10.641 1.00 0.00 N ATOM 0 H ARG A 26 6.061 3.656 4.591 1.00 0.00 H new ATOM 0 HA ARG A 26 4.684 4.794 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.976 5.320 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.061 6.804 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.591 6.992 7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.232 5.306 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.473 4.847 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.822 6.530 6.778 1.00 0.00 H new ATOM 0 HE ARG A 26 8.820 4.308 8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.487 7.812 8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.982 8.199 9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.463 4.812 10.840 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.536 6.497 11.367 1.00 0.00 H new ATOM 233 N VAL A 27 3.850 6.032 3.776 1.00 0.00 N ATOM 234 CA VAL A 27 2.823 6.780 3.080 1.00 0.00 C ATOM 235 C VAL A 27 1.455 6.190 3.392 1.00 0.00 C ATOM 236 O VAL A 27 0.588 6.878 3.927 1.00 0.00 O ATOM 237 CB VAL A 27 3.098 6.744 1.579 1.00 0.00 C ATOM 238 CG1 VAL A 27 2.135 7.686 0.862 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.534 7.187 1.315 1.00 0.00 C ATOM 0 H VAL A 27 4.600 5.689 3.176 1.00 0.00 H new ATOM 0 HA VAL A 27 2.834 7.818 3.413 1.00 0.00 H new ATOM 0 HB VAL A 27 2.956 5.729 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.331 7.660 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.109 7.370 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.276 8.701 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.731 7.162 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.676 8.202 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.222 6.514 1.827 1.00 0.00 H new ATOM 249 N MET A 28 1.262 4.913 3.056 1.00 0.00 N ATOM 250 CA MET A 28 0.001 4.242 3.302 1.00 0.00 C ATOM 251 C MET A 28 -0.487 4.556 4.708 1.00 0.00 C ATOM 252 O MET A 28 -1.676 4.789 4.918 1.00 0.00 O ATOM 253 CB MET A 28 0.183 2.738 3.117 1.00 0.00 C ATOM 254 CG MET A 28 0.934 2.472 1.816 1.00 0.00 C ATOM 255 SD MET A 28 0.312 1.049 0.885 1.00 0.00 S ATOM 256 CE MET A 28 0.937 -0.282 1.940 1.00 0.00 C ATOM 0 H MET A 28 1.970 4.328 2.612 1.00 0.00 H new ATOM 0 HA MET A 28 -0.747 4.596 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.735 2.321 3.960 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.788 2.243 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.875 3.360 1.186 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.988 2.312 2.043 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.337 -1.082 1.317 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.726 0.105 2.585 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.125 -0.671 2.554 1.00 0.00 H new ATOM 266 N GLN A 29 0.434 4.563 5.674 1.00 0.00 N ATOM 267 CA GLN A 29 0.093 4.847 7.053 1.00 0.00 C ATOM 268 C GLN A 29 -0.521 6.236 7.158 1.00 0.00 C ATOM 269 O GLN A 29 -1.550 6.415 7.805 1.00 0.00 O ATOM 270 CB GLN A 29 1.347 4.744 7.917 1.00 0.00 C ATOM 271 CG GLN A 29 1.460 3.333 8.486 1.00 0.00 C ATOM 272 CD GLN A 29 2.764 3.159 9.252 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.481 2.182 9.047 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.069 4.110 10.138 1.00 0.00 N ATOM 0 H GLN A 29 1.424 4.373 5.517 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.638 4.121 7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.230 4.980 7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.304 5.472 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.616 3.134 9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.409 2.605 7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.441 4.902 10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.930 4.044 10.681 1.00 0.00 H new ATOM 283 N LEU A 30 0.114 7.221 6.518 1.00 0.00 N ATOM 284 CA LEU A 30 -0.372 8.586 6.541 1.00 0.00 C ATOM 285 C LEU A 30 -1.840 8.619 6.141 1.00 0.00 C ATOM 286 O LEU A 30 -2.234 7.988 5.162 1.00 0.00 O ATOM 287 CB LEU A 30 0.465 9.440 5.593 1.00 0.00 C ATOM 288 CG LEU A 30 1.914 9.457 6.070 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.791 10.123 5.013 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.010 10.239 7.377 1.00 0.00 C ATOM 0 H LEU A 30 0.969 7.089 5.978 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.282 8.990 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.409 9.040 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.071 10.456 5.557 1.00 0.00 H new ATOM 0 HG LEU A 30 2.255 8.434 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.826 10.135 5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.723 9.565 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.451 11.146 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.045 10.251 7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.669 11.262 7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.385 9.763 8.132 1.00 0.00 H new ATOM 302 N PRO A 31 -2.651 9.357 6.902 1.00 0.00 N ATOM 303 CA PRO A 31 -4.072 9.507 6.673 1.00 0.00 C ATOM 304 C PRO A 31 -4.303 10.386 5.452 1.00 0.00 C ATOM 305 O PRO A 31 -5.443 10.692 5.111 1.00 0.00 O ATOM 306 CB PRO A 31 -4.604 10.178 7.938 1.00 0.00 C ATOM 307 CG PRO A 31 -3.409 11.006 8.409 1.00 0.00 C ATOM 308 CD PRO A 31 -2.222 10.111 8.060 1.00 0.00 C ATOM 0 HA PRO A 31 -4.573 8.558 6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.472 10.803 7.730 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.910 9.447 8.686 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.356 11.967 7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.458 11.216 9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.333 10.702 7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.968 9.451 8.889 1.00 0.00 H new ATOM 316 N ASP A 32 -3.215 10.793 4.793 1.00 0.00 N ATOM 317 CA ASP A 32 -3.304 11.635 3.617 1.00 0.00 C ATOM 318 C ASP A 32 -2.716 10.907 2.417 1.00 0.00 C ATOM 319 O ASP A 32 -2.321 11.537 1.439 1.00 0.00 O ATOM 320 CB ASP A 32 -2.563 12.944 3.873 1.00 0.00 C ATOM 321 CG ASP A 32 -3.399 13.884 4.730 1.00 0.00 C ATOM 322 OD1 ASP A 32 -4.148 13.359 5.581 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.273 15.109 4.517 1.00 0.00 O ATOM 0 H ASP A 32 -2.262 10.547 5.062 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.349 11.861 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.615 12.738 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.327 13.424 2.923 1.00 0.00 H new ATOM 329 N SER A 33 -2.659 9.575 2.493 1.00 0.00 N ATOM 330 CA SER A 33 -2.121 8.771 1.415 1.00 0.00 C ATOM 331 C SER A 33 -3.258 8.210 0.572 1.00 0.00 C ATOM 332 O SER A 33 -3.372 8.526 -0.610 1.00 0.00 O ATOM 333 CB SER A 33 -1.271 7.644 1.996 1.00 0.00 C ATOM 334 OG SER A 33 -2.018 6.947 2.967 1.00 0.00 O ATOM 0 H SER A 33 -2.983 9.037 3.297 1.00 0.00 H new ATOM 0 HA SER A 33 -1.492 9.389 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.959 6.963 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.364 8.051 2.442 1.00 0.00 H new ATOM 0 HG SER A 33 -1.640 7.117 3.855 1.00 0.00 H new ATOM 340 N GLY A 34 -4.101 7.375 1.183 1.00 0.00 N ATOM 341 CA GLY A 34 -5.222 6.779 0.484 1.00 0.00 C ATOM 342 C GLY A 34 -5.337 5.302 0.835 1.00 0.00 C ATOM 343 O GLY A 34 -5.588 4.472 -0.036 1.00 0.00 O ATOM 0 H GLY A 34 -4.021 7.101 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.143 7.296 0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.092 6.895 -0.592 1.00 0.00 H new ATOM 347 N LEU A 35 -5.152 4.975 2.116 1.00 0.00 N ATOM 348 CA LEU A 35 -5.235 3.604 2.576 1.00 0.00 C ATOM 349 C LEU A 35 -5.655 3.574 4.039 1.00 0.00 C ATOM 350 O LEU A 35 -6.527 2.796 4.421 1.00 0.00 O ATOM 351 CB LEU A 35 -3.883 2.922 2.388 1.00 0.00 C ATOM 352 CG LEU A 35 -4.097 1.504 1.866 1.00 0.00 C ATOM 353 CD1 LEU A 35 -4.337 0.560 3.041 1.00 0.00 C ATOM 354 CD2 LEU A 35 -5.308 1.481 0.938 1.00 0.00 C ATOM 0 H LEU A 35 -4.943 5.652 2.850 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.983 3.066 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.271 3.490 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.343 2.895 3.334 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.213 1.182 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.490 -0.453 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.472 0.576 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.221 0.882 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.461 0.468 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.193 1.803 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.136 2.155 0.099 1.00 0.00 H new ATOM 366 N GLU A 36 -5.033 4.424 4.858 1.00 0.00 N ATOM 367 CA GLU A 36 -5.348 4.489 6.271 1.00 0.00 C ATOM 368 C GLU A 36 -5.151 3.122 6.911 1.00 0.00 C ATOM 369 O GLU A 36 -5.902 2.190 6.632 1.00 0.00 O ATOM 370 CB GLU A 36 -6.786 4.968 6.449 1.00 0.00 C ATOM 371 CG GLU A 36 -6.838 6.026 7.547 1.00 0.00 C ATOM 372 CD GLU A 36 -7.762 7.170 7.155 1.00 0.00 C ATOM 373 OE1 GLU A 36 -7.245 8.302 7.039 1.00 0.00 O ATOM 374 OE2 GLU A 36 -8.967 6.891 6.979 1.00 0.00 O ATOM 0 H GLU A 36 -4.307 5.075 4.558 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.679 5.195 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.161 5.381 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.431 4.128 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.185 5.575 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.836 6.411 7.735 1.00 0.00 H new ATOM 382 N ILE A 37 -4.137 3.005 7.771 1.00 0.00 N ATOM 383 CA ILE A 37 -3.846 1.757 8.448 1.00 0.00 C ATOM 384 C ILE A 37 -3.974 1.946 9.953 1.00 0.00 C ATOM 385 O ILE A 37 -3.096 2.530 10.584 1.00 0.00 O ATOM 386 CB ILE A 37 -2.439 1.294 8.078 1.00 0.00 C ATOM 387 CG1 ILE A 37 -2.132 1.700 6.639 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.353 -0.224 8.208 1.00 0.00 C ATOM 389 CD1 ILE A 37 -3.151 1.059 5.701 1.00 0.00 C ATOM 0 H ILE A 37 -3.505 3.769 8.010 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.559 0.994 8.135 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.715 1.758 8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.164 2.785 6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.124 1.385 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.349 -0.555 7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.573 -0.514 9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.076 -0.688 7.537 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.932 1.349 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.097 -0.026 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.153 1.396 5.967 1.00 0.00 H new ATOM 401 N ARG A 38 -5.072 1.449 10.527 1.00 0.00 N ATOM 402 CA ARG A 38 -5.309 1.566 11.952 1.00 0.00 C ATOM 403 C ARG A 38 -6.678 0.995 12.295 1.00 0.00 C ATOM 404 O ARG A 38 -6.864 0.426 13.368 1.00 0.00 O ATOM 405 CB ARG A 38 -5.217 3.032 12.363 1.00 0.00 C ATOM 406 CG ARG A 38 -3.979 3.240 13.231 1.00 0.00 C ATOM 407 CD ARG A 38 -3.306 4.556 12.851 1.00 0.00 C ATOM 408 NE ARG A 38 -2.338 4.965 13.868 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.504 6.000 13.703 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.535 6.711 12.568 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.637 6.325 14.672 1.00 0.00 N ATOM 0 H ARG A 38 -5.809 0.961 10.017 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.554 1.001 12.498 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.165 3.666 11.478 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.112 3.324 12.912 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.258 3.253 14.284 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.284 2.411 13.096 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.804 4.447 11.890 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.061 5.333 12.730 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.296 4.439 14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.194 6.464 11.829 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.900 7.499 12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.612 5.784 15.536 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.002 7.113 14.545 1.00 0.00 H new ATOM 425 N ASP A 39 -7.637 1.148 11.379 1.00 0.00 N ATOM 426 CA ASP A 39 -8.981 0.649 11.590 1.00 0.00 C ATOM 427 C ASP A 39 -9.549 0.129 10.277 1.00 0.00 C ATOM 428 O ASP A 39 -9.283 0.692 9.217 1.00 0.00 O ATOM 429 CB ASP A 39 -9.856 1.766 12.152 1.00 0.00 C ATOM 430 CG ASP A 39 -9.074 2.625 13.136 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.521 3.649 12.680 1.00 0.00 O ATOM 432 OD2 ASP A 39 -9.044 2.242 14.325 1.00 0.00 O ATOM 0 H ASP A 39 -7.498 1.616 10.484 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.960 -0.173 12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.228 2.387 11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.726 1.337 12.649 1.00 0.00 H new ATOM 438 N ARG A 40 -10.332 -0.950 10.348 1.00 0.00 N ATOM 439 CA ARG A 40 -10.931 -1.540 9.168 1.00 0.00 C ATOM 440 C ARG A 40 -12.110 -2.415 9.570 1.00 0.00 C ATOM 441 O ARG A 40 -12.426 -2.528 10.753 1.00 0.00 O ATOM 442 CB ARG A 40 -9.881 -2.357 8.421 1.00 0.00 C ATOM 443 CG ARG A 40 -9.108 -1.446 7.472 1.00 0.00 C ATOM 444 CD ARG A 40 -9.105 -2.055 6.072 1.00 0.00 C ATOM 445 NE ARG A 40 -9.078 -1.012 5.047 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.164 -0.307 4.700 1.00 0.00 C ATOM 447 NH1 ARG A 40 -11.337 -0.544 5.303 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.076 0.635 3.751 1.00 0.00 N ATOM 0 H ARG A 40 -10.562 -1.429 11.219 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.297 -0.753 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.198 -2.826 9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.360 -3.160 7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.564 -0.456 7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.085 -1.317 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.238 -2.706 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.990 -2.677 5.940 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.195 -0.813 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.403 -1.261 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.164 -0.008 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.183 0.815 3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.902 1.172 3.487 1.00 0.00 H new ATOM 462 N MET A 41 -12.760 -3.036 8.583 1.00 0.00 N ATOM 463 CA MET A 41 -13.898 -3.894 8.842 1.00 0.00 C ATOM 464 C MET A 41 -13.638 -5.284 8.279 1.00 0.00 C ATOM 465 O MET A 41 -12.980 -5.426 7.250 1.00 0.00 O ATOM 466 CB MET A 41 -15.148 -3.283 8.214 1.00 0.00 C ATOM 467 CG MET A 41 -15.471 -1.962 8.906 1.00 0.00 C ATOM 468 SD MET A 41 -17.227 -1.526 8.876 1.00 0.00 S ATOM 469 CE MET A 41 -17.833 -2.677 10.135 1.00 0.00 C ATOM 0 H MET A 41 -12.510 -2.955 7.597 1.00 0.00 H new ATOM 0 HA MET A 41 -14.052 -3.983 9.917 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.989 -3.118 7.148 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.989 -3.970 8.308 1.00 0.00 H new ATOM 0 HG2 MET A 41 -15.138 -2.016 9.943 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.901 -1.165 8.429 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.751 -2.286 10.574 1.00 0.00 H new ATOM 0 HE2 MET A 41 -18.034 -3.645 9.676 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.079 -2.794 10.914 1.00 0.00 H new ATOM 479 N TRP A 42 -14.157 -6.311 8.955 1.00 0.00 N ATOM 480 CA TRP A 42 -13.978 -7.680 8.516 1.00 0.00 C ATOM 481 C TRP A 42 -14.956 -8.591 9.244 1.00 0.00 C ATOM 482 O TRP A 42 -15.093 -8.510 10.463 1.00 0.00 O ATOM 483 CB TRP A 42 -12.538 -8.113 8.777 1.00 0.00 C ATOM 484 CG TRP A 42 -12.206 -9.500 8.328 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.673 -10.466 9.107 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.372 -10.099 7.006 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.499 -11.615 8.364 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.914 -11.443 7.059 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.862 -9.644 5.769 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.941 -12.290 5.947 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.893 -10.485 4.648 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.434 -11.805 4.732 1.00 0.00 C ATOM 0 H TRP A 42 -14.705 -6.211 9.810 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.177 -7.750 7.447 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.868 -7.415 8.276 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.339 -8.035 9.846 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.422 -10.356 10.152 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.112 -12.484 8.733 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.221 -8.629 5.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.585 -13.307 6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.275 -10.111 3.710 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.461 -12.445 3.863 1.00 0.00 H new ATOM 503 N LEU A 43 -15.636 -9.460 8.494 1.00 0.00 N ATOM 504 CA LEU A 43 -16.596 -10.381 9.069 1.00 0.00 C ATOM 505 C LEU A 43 -17.824 -9.616 9.544 1.00 0.00 C ATOM 506 O LEU A 43 -18.626 -10.142 10.314 1.00 0.00 O ATOM 507 CB LEU A 43 -15.947 -11.134 10.227 1.00 0.00 C ATOM 508 CG LEU A 43 -15.505 -12.514 9.751 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.981 -12.565 9.684 1.00 0.00 C ATOM 510 CD2 LEU A 43 -16.008 -13.574 10.726 1.00 0.00 C ATOM 0 H LEU A 43 -15.533 -9.539 7.482 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.911 -11.102 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.090 -10.575 10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.652 -11.231 11.053 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.918 -12.707 8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.665 -13.551 9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.622 -11.808 8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.567 -12.372 10.674 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.692 -14.560 10.386 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.595 -13.382 11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.096 -13.538 10.773 1.00 0.00 H new ATOM 522 N LYS A 44 -17.970 -8.372 9.083 1.00 0.00 N ATOM 523 CA LYS A 44 -19.097 -7.545 9.463 1.00 0.00 C ATOM 524 C LYS A 44 -18.842 -6.915 10.825 1.00 0.00 C ATOM 525 O LYS A 44 -19.772 -6.456 11.484 1.00 0.00 O ATOM 526 CB LYS A 44 -20.364 -8.395 9.490 1.00 0.00 C ATOM 527 CG LYS A 44 -21.424 -7.756 8.597 1.00 0.00 C ATOM 528 CD LYS A 44 -22.675 -7.463 9.420 1.00 0.00 C ATOM 529 CE LYS A 44 -23.849 -7.193 8.484 1.00 0.00 C ATOM 530 NZ LYS A 44 -24.302 -8.432 7.833 1.00 0.00 N ATOM 0 H LYS A 44 -17.315 -7.922 8.444 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.226 -6.745 8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.144 -9.406 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.736 -8.480 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.039 -6.834 8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.668 -8.423 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.902 -8.308 10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.505 -6.601 10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -24.672 -6.752 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.555 -6.467 7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.279 -8.311 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.683 -8.646 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.264 -9.216 8.515 1.00 0.00 H new ATOM 544 N ILE A 45 -17.575 -6.893 11.246 1.00 0.00 N ATOM 545 CA ILE A 45 -17.201 -6.320 12.523 1.00 0.00 C ATOM 546 C ILE A 45 -16.239 -5.161 12.306 1.00 0.00 C ATOM 547 O ILE A 45 -15.907 -4.833 11.169 1.00 0.00 O ATOM 548 CB ILE A 45 -16.563 -7.397 13.396 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.185 -8.752 13.071 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.801 -7.067 14.867 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.442 -9.848 13.829 1.00 0.00 C ATOM 0 H ILE A 45 -16.793 -7.270 10.711 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.088 -5.940 13.029 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.491 -7.434 13.201 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.240 -8.755 13.347 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -17.135 -8.939 11.998 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.345 -7.836 15.491 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.355 -6.100 15.100 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.873 -7.029 15.063 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.886 -10.816 13.597 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.393 -9.849 13.532 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.515 -9.663 14.901 1.00 0.00 H new ATOM 563 N THR A 46 -15.792 -4.539 13.399 1.00 0.00 N ATOM 564 CA THR A 46 -14.872 -3.423 13.317 1.00 0.00 C ATOM 565 C THR A 46 -13.580 -3.760 14.049 1.00 0.00 C ATOM 566 O THR A 46 -13.612 -4.266 15.168 1.00 0.00 O ATOM 567 CB THR A 46 -15.525 -2.181 13.918 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.516 -1.699 13.038 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.467 -1.103 14.133 1.00 0.00 C ATOM 0 H THR A 46 -16.058 -4.796 14.349 1.00 0.00 H new ATOM 0 HA THR A 46 -14.632 -3.223 12.273 1.00 0.00 H new ATOM 0 HB THR A 46 -15.981 -2.437 14.874 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.937 -0.903 13.424 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.933 -0.216 14.562 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.701 -1.475 14.813 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.010 -0.846 13.177 1.00 0.00 H new ATOM 577 N ILE A 47 -12.442 -3.477 13.412 1.00 0.00 N ATOM 578 CA ILE A 47 -11.146 -3.747 14.001 1.00 0.00 C ATOM 579 C ILE A 47 -10.335 -2.461 14.075 1.00 0.00 C ATOM 580 O ILE A 47 -10.626 -1.500 13.367 1.00 0.00 O ATOM 581 CB ILE A 47 -10.418 -4.799 13.169 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.072 -6.161 13.384 1.00 0.00 C ATOM 583 CG2 ILE A 47 -8.955 -4.864 13.597 1.00 0.00 C ATOM 584 CD1 ILE A 47 -12.078 -6.426 12.267 1.00 0.00 C ATOM 0 H ILE A 47 -12.401 -3.058 12.483 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.275 -4.130 15.013 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.476 -4.531 12.114 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.313 -6.943 13.397 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.572 -6.187 14.352 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.435 -5.615 13.003 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.487 -3.892 13.442 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.896 -5.131 14.652 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.545 -7.399 12.421 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.844 -5.651 12.276 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.565 -6.418 11.306 1.00 0.00 H new ATOM 596 N ALA A 48 -9.315 -2.445 14.937 1.00 0.00 N ATOM 597 CA ALA A 48 -8.470 -1.279 15.099 1.00 0.00 C ATOM 598 C ALA A 48 -7.066 -1.586 14.597 1.00 0.00 C ATOM 599 O ALA A 48 -6.093 -1.417 15.328 1.00 0.00 O ATOM 600 CB ALA A 48 -8.442 -0.874 16.570 1.00 0.00 C ATOM 0 H ALA A 48 -9.061 -3.234 15.531 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.870 -0.450 14.515 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.807 0.003 16.694 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.453 -0.639 16.902 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.046 -1.696 17.166 1.00 0.00 H new ATOM 606 N ASN A 49 -6.963 -2.039 13.345 1.00 0.00 N ATOM 607 CA ASN A 49 -5.681 -2.366 12.755 1.00 0.00 C ATOM 608 C ASN A 49 -5.855 -3.450 11.702 1.00 0.00 C ATOM 609 O ASN A 49 -5.891 -4.635 12.026 1.00 0.00 O ATOM 610 CB ASN A 49 -4.722 -2.826 13.850 1.00 0.00 C ATOM 611 CG ASN A 49 -5.433 -3.718 14.856 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.255 -4.550 14.478 1.00 0.00 O ATOM 613 ND2 ASN A 49 -5.115 -3.545 16.141 1.00 0.00 N ATOM 0 H ASN A 49 -7.760 -2.185 12.726 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.265 -1.483 12.270 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.888 -3.367 13.404 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.303 -1.958 14.360 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.561 -4.117 16.858 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.426 -2.841 16.406 1.00 0.00 H new ATOM 620 N ALA A 50 -5.963 -3.041 10.435 1.00 0.00 N ATOM 621 CA ALA A 50 -6.134 -3.976 9.342 1.00 0.00 C ATOM 622 C ALA A 50 -5.914 -3.263 8.015 1.00 0.00 C ATOM 623 O ALA A 50 -6.078 -2.048 7.927 1.00 0.00 O ATOM 624 CB ALA A 50 -7.533 -4.582 9.405 1.00 0.00 C ATOM 0 H ALA A 50 -5.934 -2.062 10.150 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.401 -4.779 9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.662 -5.286 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.661 -5.104 10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.277 -3.789 9.324 1.00 0.00 H new ATOM 630 N VAL A 51 -5.543 -4.022 6.982 1.00 0.00 N ATOM 631 CA VAL A 51 -5.303 -3.461 5.667 1.00 0.00 C ATOM 632 C VAL A 51 -4.752 -4.536 4.742 1.00 0.00 C ATOM 633 O VAL A 51 -5.214 -4.681 3.612 1.00 0.00 O ATOM 634 CB VAL A 51 -4.325 -2.295 5.784 1.00 0.00 C ATOM 635 CG1 VAL A 51 -5.104 -0.985 5.872 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.475 -2.468 7.040 1.00 0.00 C ATOM 0 H VAL A 51 -5.404 -5.031 7.040 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.239 -3.093 5.247 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.677 -2.274 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.406 -0.152 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.711 -0.862 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.752 -1.005 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.776 -1.636 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.122 -2.489 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.919 -3.403 6.977 1.00 0.00 H new ATOM 646 N ILE A 52 -3.762 -5.292 5.224 1.00 0.00 N ATOM 647 CA ILE A 52 -3.155 -6.350 4.441 1.00 0.00 C ATOM 648 C ILE A 52 -2.683 -5.796 3.104 1.00 0.00 C ATOM 649 O ILE A 52 -2.968 -4.647 2.771 1.00 0.00 O ATOM 650 CB ILE A 52 -4.166 -7.474 4.236 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.470 -8.822 4.403 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.756 -7.377 2.831 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.492 -9.945 4.249 1.00 0.00 C ATOM 0 H ILE A 52 -3.368 -5.183 6.159 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.290 -6.750 4.971 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.964 -7.384 4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.680 -8.930 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.996 -8.879 5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.478 -8.180 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.253 -6.415 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.958 -7.467 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.995 -10.908 4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.266 -9.839 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.946 -9.891 3.259 1.00 0.00 H new ATOM 665 N GLY A 53 -1.961 -6.614 2.336 1.00 0.00 N ATOM 666 CA GLY A 53 -1.457 -6.198 1.043 1.00 0.00 C ATOM 667 C GLY A 53 -2.607 -5.773 0.141 1.00 0.00 C ATOM 668 O GLY A 53 -2.462 -4.857 -0.665 1.00 0.00 O ATOM 0 H GLY A 53 -1.716 -7.570 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.758 -5.371 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.905 -7.016 0.580 1.00 0.00 H new ATOM 672 N ALA A 54 -3.754 -6.443 0.279 1.00 0.00 N ATOM 673 CA ALA A 54 -4.921 -6.134 -0.522 1.00 0.00 C ATOM 674 C ALA A 54 -5.132 -4.627 -0.566 1.00 0.00 C ATOM 675 O ALA A 54 -5.112 -4.026 -1.638 1.00 0.00 O ATOM 676 CB ALA A 54 -6.142 -6.834 0.067 1.00 0.00 C ATOM 0 H ALA A 54 -3.890 -7.205 0.943 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.772 -6.490 -1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.020 -6.602 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.978 -7.912 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.301 -6.489 1.089 1.00 0.00 H new ATOM 682 N ASP A 55 -5.336 -4.017 0.604 1.00 0.00 N ATOM 683 CA ASP A 55 -5.551 -2.586 0.692 1.00 0.00 C ATOM 684 C ASP A 55 -4.302 -1.849 0.231 1.00 0.00 C ATOM 685 O ASP A 55 -4.391 -0.900 -0.545 1.00 0.00 O ATOM 686 CB ASP A 55 -5.900 -2.214 2.130 1.00 0.00 C ATOM 687 CG ASP A 55 -6.963 -1.125 2.167 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.600 -0.990 3.234 1.00 0.00 O ATOM 689 OD2 ASP A 55 -7.119 -0.449 1.127 1.00 0.00 O ATOM 0 H ASP A 55 -5.355 -4.501 1.502 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.379 -2.296 0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.258 -3.096 2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.005 -1.871 2.649 1.00 0.00 H new ATOM 695 N VAL A 56 -3.136 -2.287 0.712 1.00 0.00 N ATOM 696 CA VAL A 56 -1.878 -1.668 0.348 1.00 0.00 C ATOM 697 C VAL A 56 -1.755 -1.603 -1.168 1.00 0.00 C ATOM 698 O VAL A 56 -1.057 -0.742 -1.699 1.00 0.00 O ATOM 699 CB VAL A 56 -0.725 -2.467 0.950 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.586 -1.720 0.723 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.958 -2.643 2.448 1.00 0.00 C ATOM 0 H VAL A 56 -3.047 -3.072 1.357 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.842 -0.652 0.740 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.672 -3.445 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.409 -2.291 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.752 -1.593 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.535 -0.741 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.136 -3.213 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.011 -1.665 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.894 -3.177 2.610 1.00 0.00 H new ATOM 711 N VAL A 57 -2.437 -2.516 -1.863 1.00 0.00 N ATOM 712 CA VAL A 57 -2.401 -2.558 -3.311 1.00 0.00 C ATOM 713 C VAL A 57 -3.351 -1.514 -3.879 1.00 0.00 C ATOM 714 O VAL A 57 -2.919 -0.574 -4.542 1.00 0.00 O ATOM 715 CB VAL A 57 -2.785 -3.956 -3.788 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.804 -3.986 -5.313 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.766 -4.967 -3.272 1.00 0.00 C ATOM 0 H VAL A 57 -3.021 -3.235 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.394 -2.333 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.774 -4.211 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.078 -4.984 -5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.532 -3.264 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.815 -3.731 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.040 -5.966 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.777 -4.713 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.752 -4.946 -2.182 1.00 0.00 H new ATOM 727 N ASP A 58 -4.650 -1.680 -3.618 1.00 0.00 N ATOM 728 CA ASP A 58 -5.652 -0.753 -4.104 1.00 0.00 C ATOM 729 C ASP A 58 -5.170 0.677 -3.908 1.00 0.00 C ATOM 730 O ASP A 58 -5.578 1.577 -4.638 1.00 0.00 O ATOM 731 CB ASP A 58 -6.964 -0.988 -3.361 1.00 0.00 C ATOM 732 CG ASP A 58 -7.482 -2.399 -3.605 1.00 0.00 C ATOM 733 OD1 ASP A 58 -6.716 -3.190 -4.197 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.634 -2.659 -3.196 1.00 0.00 O ATOM 0 H ASP A 58 -5.025 -2.454 -3.070 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.818 -0.916 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.815 -0.831 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.707 -0.262 -3.689 1.00 0.00 H new ATOM 740 N TRP A 59 -4.298 0.885 -2.918 1.00 0.00 N ATOM 741 CA TRP A 59 -3.767 2.204 -2.637 1.00 0.00 C ATOM 742 C TRP A 59 -2.641 2.528 -3.608 1.00 0.00 C ATOM 743 O TRP A 59 -2.771 3.427 -4.436 1.00 0.00 O ATOM 744 CB TRP A 59 -3.269 2.254 -1.195 1.00 0.00 C ATOM 745 CG TRP A 59 -2.828 3.604 -0.728 1.00 0.00 C ATOM 746 CD1 TRP A 59 -3.626 4.529 -0.152 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.498 4.204 -0.784 1.00 0.00 C ATOM 748 NE1 TRP A 59 -2.887 5.653 0.150 1.00 0.00 N ATOM 749 CE2 TRP A 59 -1.565 5.506 -0.219 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.242 3.781 -1.254 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -0.450 6.343 -0.126 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.883 4.613 -1.166 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.783 5.892 -0.604 1.00 0.00 C ATOM 0 H TRP A 59 -3.950 0.150 -2.302 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.552 2.949 -2.763 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.064 1.901 -0.539 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.436 1.559 -1.089 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.681 4.407 0.042 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.270 6.489 0.591 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.142 2.798 -1.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.540 7.327 0.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.836 4.264 -1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.655 6.526 -0.540 1.00 0.00 H new ATOM 764 N LEU A 60 -1.533 1.791 -3.505 1.00 0.00 N ATOM 765 CA LEU A 60 -0.391 2.002 -4.373 1.00 0.00 C ATOM 766 C LEU A 60 -0.863 2.445 -5.750 1.00 0.00 C ATOM 767 O LEU A 60 -0.238 3.296 -6.379 1.00 0.00 O ATOM 768 CB LEU A 60 0.419 0.712 -4.468 1.00 0.00 C ATOM 769 CG LEU A 60 1.183 0.494 -3.165 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.523 -0.986 -3.016 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.471 1.312 -3.188 1.00 0.00 C ATOM 0 H LEU A 60 -1.410 1.042 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 60 0.244 2.786 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.243 -0.132 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.115 0.768 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 60 0.566 0.811 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.069 -1.142 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.603 -1.571 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.140 -1.304 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.017 1.157 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.088 0.995 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.229 2.369 -3.294 1.00 0.00 H new ATOM 783 N TYR A 61 -1.971 1.865 -6.218 1.00 0.00 N ATOM 784 CA TYR A 61 -2.518 2.202 -7.517 1.00 0.00 C ATOM 785 C TYR A 61 -3.349 3.473 -7.413 1.00 0.00 C ATOM 786 O TYR A 61 -3.089 4.447 -8.117 1.00 0.00 O ATOM 787 CB TYR A 61 -3.366 1.041 -8.027 1.00 0.00 C ATOM 788 CG TYR A 61 -4.114 1.355 -9.301 1.00 0.00 C ATOM 789 CD1 TYR A 61 -3.444 1.328 -10.530 1.00 0.00 C ATOM 790 CD2 TYR A 61 -5.477 1.671 -9.253 1.00 0.00 C ATOM 791 CE1 TYR A 61 -4.137 1.618 -11.711 1.00 0.00 C ATOM 792 CE2 TYR A 61 -6.170 1.961 -10.435 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.500 1.935 -11.664 1.00 0.00 C ATOM 794 OH TYR A 61 -6.174 2.217 -12.815 1.00 0.00 O ATOM 0 H TYR A 61 -2.502 1.159 -5.708 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.707 2.380 -8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.722 0.178 -8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.082 0.758 -7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.393 1.083 -10.567 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.994 1.691 -8.305 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.620 1.597 -12.659 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.221 2.205 -10.398 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.111 2.415 -12.606 1.00 0.00 H new ATOM 804 N THR A 62 -4.352 3.463 -6.532 1.00 0.00 N ATOM 805 CA THR A 62 -5.211 4.614 -6.343 1.00 0.00 C ATOM 806 C THR A 62 -4.375 5.830 -5.969 1.00 0.00 C ATOM 807 O THR A 62 -4.859 6.959 -6.018 1.00 0.00 O ATOM 808 CB THR A 62 -6.237 4.309 -5.256 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.064 3.247 -5.676 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.091 5.548 -5.000 1.00 0.00 C ATOM 0 H THR A 62 -4.582 2.664 -5.941 1.00 0.00 H new ATOM 0 HA THR A 62 -5.738 4.834 -7.272 1.00 0.00 H new ATOM 0 HB THR A 62 -5.721 4.027 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.576 2.401 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.824 5.330 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.452 6.370 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.607 5.830 -5.918 1.00 0.00 H new ATOM 818 N HIS A 63 -3.115 5.598 -5.594 1.00 0.00 N ATOM 819 CA HIS A 63 -2.222 6.674 -5.213 1.00 0.00 C ATOM 820 C HIS A 63 -1.289 7.010 -6.369 1.00 0.00 C ATOM 821 O HIS A 63 -1.468 8.023 -7.040 1.00 0.00 O ATOM 822 CB HIS A 63 -1.427 6.261 -3.979 1.00 0.00 C ATOM 823 CG HIS A 63 -1.177 7.408 -3.038 1.00 0.00 C ATOM 824 ND1 HIS A 63 0.042 7.813 -2.565 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -2.133 8.239 -2.500 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 -0.170 8.909 -1.723 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -1.496 9.127 -1.717 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.697 4.669 -5.549 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.804 7.564 -4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.966 5.474 -3.451 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.472 5.838 -4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.198 8.187 -2.674 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.581 9.468 -1.185 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.958 9.867 -1.189 1.00 0.00 H new ATOM 835 N VAL A 64 -0.291 6.153 -6.599 1.00 0.00 N ATOM 836 CA VAL A 64 0.664 6.361 -7.669 1.00 0.00 C ATOM 837 C VAL A 64 0.532 5.249 -8.699 1.00 0.00 C ATOM 838 O VAL A 64 -0.436 4.493 -8.678 1.00 0.00 O ATOM 839 CB VAL A 64 2.075 6.398 -7.090 1.00 0.00 C ATOM 840 CG1 VAL A 64 2.180 7.532 -6.074 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.377 5.069 -6.402 1.00 0.00 C ATOM 0 H VAL A 64 -0.130 5.308 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 64 0.464 7.312 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 64 2.793 6.563 -7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.188 7.558 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.964 8.481 -6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.462 7.368 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.385 5.094 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.659 4.904 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.303 4.259 -7.127 1.00 0.00 H new ATOM 851 N GLU A 65 1.509 5.151 -9.604 1.00 0.00 N ATOM 852 CA GLU A 65 1.495 4.132 -10.634 1.00 0.00 C ATOM 853 C GLU A 65 2.920 3.757 -11.014 1.00 0.00 C ATOM 854 O GLU A 65 3.875 4.349 -10.514 1.00 0.00 O ATOM 855 CB GLU A 65 0.729 4.649 -11.848 1.00 0.00 C ATOM 856 CG GLU A 65 1.320 5.985 -12.291 1.00 0.00 C ATOM 857 CD GLU A 65 1.194 6.162 -13.797 1.00 0.00 C ATOM 858 OE1 GLU A 65 2.216 5.940 -14.482 1.00 0.00 O ATOM 859 OE2 GLU A 65 0.079 6.517 -14.236 1.00 0.00 O ATOM 0 H GLU A 65 2.318 5.771 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 65 0.996 3.238 -10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.786 3.926 -12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.326 4.770 -11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.808 6.801 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.370 6.037 -12.001 1.00 0.00 H new ATOM 867 N GLY A 66 3.064 2.771 -11.902 1.00 0.00 N ATOM 868 CA GLY A 66 4.372 2.327 -12.341 1.00 0.00 C ATOM 869 C GLY A 66 4.360 0.827 -12.601 1.00 0.00 C ATOM 870 O GLY A 66 5.261 0.299 -13.249 1.00 0.00 O ATOM 0 H GLY A 66 2.284 2.269 -12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.658 2.858 -13.249 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.118 2.566 -11.583 1.00 0.00 H new ATOM 874 N PHE A 67 3.334 0.140 -12.092 1.00 0.00 N ATOM 875 CA PHE A 67 3.212 -1.293 -12.272 1.00 0.00 C ATOM 876 C PHE A 67 2.363 -1.589 -13.501 1.00 0.00 C ATOM 877 O PHE A 67 1.327 -0.961 -13.707 1.00 0.00 O ATOM 878 CB PHE A 67 2.590 -1.910 -11.023 1.00 0.00 C ATOM 879 CG PHE A 67 3.277 -1.500 -9.742 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.631 -1.798 -9.548 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.559 -0.824 -8.748 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.267 -1.421 -8.360 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.196 -0.447 -7.559 1.00 0.00 C ATOM 884 CZ PHE A 67 4.550 -0.745 -7.365 1.00 0.00 C ATOM 0 H PHE A 67 2.579 0.562 -11.552 1.00 0.00 H new ATOM 0 HA PHE A 67 4.199 -1.730 -12.424 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.540 -1.623 -10.970 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.620 -2.996 -11.110 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.185 -2.319 -10.315 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.515 -0.593 -8.898 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.311 -1.651 -8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.642 0.074 -6.792 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.041 -0.454 -6.448 1.00 0.00 H new ATOM 894 N LYS A 68 2.806 -2.548 -14.317 1.00 0.00 N ATOM 895 CA LYS A 68 2.085 -2.920 -15.518 1.00 0.00 C ATOM 896 C LYS A 68 0.588 -2.927 -15.243 1.00 0.00 C ATOM 897 O LYS A 68 -0.151 -2.116 -15.796 1.00 0.00 O ATOM 898 CB LYS A 68 2.555 -4.294 -15.987 1.00 0.00 C ATOM 899 CG LYS A 68 3.755 -4.132 -16.914 1.00 0.00 C ATOM 900 CD LYS A 68 5.035 -4.469 -16.154 1.00 0.00 C ATOM 901 CE LYS A 68 6.230 -4.360 -17.097 1.00 0.00 C ATOM 902 NZ LYS A 68 7.396 -5.075 -16.556 1.00 0.00 N ATOM 0 H LYS A 68 3.664 -3.077 -14.160 1.00 0.00 H new ATOM 0 HA LYS A 68 2.285 -2.193 -16.305 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.825 -4.910 -15.129 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.747 -4.809 -16.507 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.650 -4.786 -17.779 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.802 -3.110 -17.291 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.160 -3.789 -15.311 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.972 -5.477 -15.744 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.967 -4.771 -18.072 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.482 -3.311 -17.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.195 -4.986 -17.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.659 -4.665 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.160 -6.080 -16.432 1.00 0.00 H new ATOM 916 N GLU A 69 0.141 -3.847 -14.384 1.00 0.00 N ATOM 917 CA GLU A 69 -1.263 -3.951 -14.042 1.00 0.00 C ATOM 918 C GLU A 69 -1.414 -4.539 -12.646 1.00 0.00 C ATOM 919 O GLU A 69 -0.435 -4.675 -11.916 1.00 0.00 O ATOM 920 CB GLU A 69 -1.973 -4.822 -15.074 1.00 0.00 C ATOM 921 CG GLU A 69 -3.333 -4.212 -15.404 1.00 0.00 C ATOM 922 CD GLU A 69 -3.681 -4.423 -16.871 1.00 0.00 C ATOM 923 OE1 GLU A 69 -2.930 -5.174 -17.530 1.00 0.00 O ATOM 924 OE2 GLU A 69 -4.692 -3.829 -17.305 1.00 0.00 O ATOM 0 H GLU A 69 0.740 -4.528 -13.917 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.716 -2.960 -14.047 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.368 -4.900 -15.978 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.100 -5.833 -14.687 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.101 -4.663 -14.775 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.322 -3.146 -15.178 1.00 0.00 H new ATOM 932 N ARG A 70 -2.649 -4.888 -12.275 1.00 0.00 N ATOM 933 CA ARG A 70 -2.923 -5.458 -10.971 1.00 0.00 C ATOM 934 C ARG A 70 -1.826 -6.443 -10.598 1.00 0.00 C ATOM 935 O ARG A 70 -1.487 -6.582 -9.424 1.00 0.00 O ATOM 936 CB ARG A 70 -4.284 -6.148 -10.996 1.00 0.00 C ATOM 937 CG ARG A 70 -4.686 -6.529 -9.574 1.00 0.00 C ATOM 938 CD ARG A 70 -5.476 -5.385 -8.944 1.00 0.00 C ATOM 939 NE ARG A 70 -5.991 -5.764 -7.629 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.053 -6.566 -7.469 1.00 0.00 C ATOM 941 NH1 ARG A 70 -7.690 -7.057 -8.541 1.00 0.00 N ATOM 942 NH2 ARG A 70 -7.479 -6.876 -6.237 1.00 0.00 N ATOM 0 H ARG A 70 -3.472 -4.782 -12.868 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.944 -4.668 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.032 -5.486 -11.432 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.241 -7.038 -11.624 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.288 -7.437 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.798 -6.743 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.837 -4.507 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.304 -5.108 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.522 -5.403 -6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.367 -6.820 -9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.498 -7.667 -8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.995 -6.502 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.287 -7.486 -6.115 1.00 0.00 H new ATOM 956 N ARG A 71 -1.270 -7.128 -11.599 1.00 0.00 N ATOM 957 CA ARG A 71 -0.216 -8.096 -11.372 1.00 0.00 C ATOM 958 C ARG A 71 0.994 -7.407 -10.757 1.00 0.00 C ATOM 959 O ARG A 71 1.260 -7.560 -9.567 1.00 0.00 O ATOM 960 CB ARG A 71 0.156 -8.762 -12.694 1.00 0.00 C ATOM 961 CG ARG A 71 0.190 -10.277 -12.508 1.00 0.00 C ATOM 962 CD ARG A 71 -1.134 -10.876 -12.975 1.00 0.00 C ATOM 963 NE ARG A 71 -1.893 -11.415 -11.846 1.00 0.00 N ATOM 964 CZ ARG A 71 -3.167 -11.815 -11.953 1.00 0.00 C ATOM 965 NH1 ARG A 71 -3.799 -11.731 -13.132 1.00 0.00 N ATOM 966 NH2 ARG A 71 -3.810 -12.299 -10.882 1.00 0.00 N ATOM 0 H ARG A 71 -1.540 -7.023 -12.577 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.564 -8.862 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.568 -8.495 -13.464 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.128 -8.404 -13.033 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.016 -10.706 -13.076 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.363 -10.522 -11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.724 -10.113 -13.483 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.944 -11.667 -13.701 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.432 -11.489 -10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.310 -11.363 -13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.769 -12.036 -13.213 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.330 -12.363 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.780 -12.603 -10.964 1.00 0.00 H new ATOM 980 N GLU A 72 1.727 -6.644 -11.572 1.00 0.00 N ATOM 981 CA GLU A 72 2.901 -5.937 -11.101 1.00 0.00 C ATOM 982 C GLU A 72 2.618 -5.304 -9.746 1.00 0.00 C ATOM 983 O GLU A 72 3.466 -5.328 -8.857 1.00 0.00 O ATOM 984 CB GLU A 72 3.296 -4.874 -12.123 1.00 0.00 C ATOM 985 CG GLU A 72 4.050 -5.530 -13.275 1.00 0.00 C ATOM 986 CD GLU A 72 5.261 -6.297 -12.765 1.00 0.00 C ATOM 987 OE1 GLU A 72 5.189 -7.545 -12.778 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.236 -5.621 -12.371 1.00 0.00 O ATOM 0 H GLU A 72 1.520 -6.506 -12.561 1.00 0.00 H new ATOM 0 HA GLU A 72 3.728 -6.637 -10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.407 -4.367 -12.498 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.920 -4.115 -11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.385 -6.207 -13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.370 -4.768 -13.986 1.00 0.00 H new ATOM 996 N ALA A 73 1.420 -4.736 -9.590 1.00 0.00 N ATOM 997 CA ALA A 73 1.030 -4.100 -8.348 1.00 0.00 C ATOM 998 C ALA A 73 1.214 -5.073 -7.192 1.00 0.00 C ATOM 999 O ALA A 73 1.881 -4.755 -6.210 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.422 -3.643 -8.445 1.00 0.00 C ATOM 0 H ALA A 73 0.706 -4.708 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 73 1.659 -3.228 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.716 -3.164 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.526 -2.933 -9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.063 -4.505 -8.629 1.00 0.00 H new ATOM 1006 N ARG A 74 0.619 -6.262 -7.310 1.00 0.00 N ATOM 1007 CA ARG A 74 0.718 -7.273 -6.276 1.00 0.00 C ATOM 1008 C ARG A 74 2.173 -7.678 -6.089 1.00 0.00 C ATOM 1009 O ARG A 74 2.589 -8.011 -4.981 1.00 0.00 O ATOM 1010 CB ARG A 74 -0.133 -8.479 -6.663 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.376 -9.346 -5.430 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.709 -10.076 -5.576 1.00 0.00 C ATOM 1013 NE ARG A 74 -1.503 -11.514 -5.750 1.00 0.00 N ATOM 1014 CZ ARG A 74 -2.475 -12.342 -6.158 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -3.696 -11.861 -6.426 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -2.225 -13.651 -6.297 1.00 0.00 N ATOM 0 H ARG A 74 0.063 -6.541 -8.118 1.00 0.00 H new ATOM 0 HA ARG A 74 0.349 -6.872 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.084 -8.148 -7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.370 -9.060 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.434 -10.066 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.384 -8.727 -4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.324 -9.897 -4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.254 -9.677 -6.431 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.581 -11.903 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.886 -10.865 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.436 -12.491 -6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.295 -14.017 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.964 -14.281 -6.607 1.00 0.00 H new ATOM 1030 N LYS A 75 2.948 -7.648 -7.176 1.00 0.00 N ATOM 1031 CA LYS A 75 4.350 -8.011 -7.124 1.00 0.00 C ATOM 1032 C LYS A 75 5.088 -7.090 -6.162 1.00 0.00 C ATOM 1033 O LYS A 75 5.921 -7.544 -5.381 1.00 0.00 O ATOM 1034 CB LYS A 75 4.949 -7.924 -8.524 1.00 0.00 C ATOM 1035 CG LYS A 75 4.835 -9.281 -9.212 1.00 0.00 C ATOM 1036 CD LYS A 75 6.116 -10.079 -8.980 1.00 0.00 C ATOM 1037 CE LYS A 75 6.146 -11.278 -9.924 1.00 0.00 C ATOM 1038 NZ LYS A 75 6.582 -12.493 -9.219 1.00 0.00 N ATOM 0 H LYS A 75 2.619 -7.374 -8.102 1.00 0.00 H new ATOM 0 HA LYS A 75 4.451 -9.034 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.429 -7.164 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.994 -7.621 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.977 -9.828 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.667 -9.146 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.987 -9.446 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.165 -10.416 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.155 -11.436 -10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.820 -11.074 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.594 -13.294 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.537 -12.347 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.923 -12.698 -8.441 1.00 0.00 H new ATOM 1052 N TYR A 76 4.780 -5.793 -6.222 1.00 0.00 N ATOM 1053 CA TYR A 76 5.416 -4.818 -5.359 1.00 0.00 C ATOM 1054 C TYR A 76 4.969 -5.031 -3.920 1.00 0.00 C ATOM 1055 O TYR A 76 5.799 -5.165 -3.024 1.00 0.00 O ATOM 1056 CB TYR A 76 5.059 -3.412 -5.833 1.00 0.00 C ATOM 1057 CG TYR A 76 5.699 -2.318 -5.013 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.001 -1.893 -5.306 1.00 0.00 C ATOM 1059 CD2 TYR A 76 4.992 -1.729 -3.958 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.594 -0.879 -4.544 1.00 0.00 C ATOM 1061 CE2 TYR A 76 5.585 -0.715 -3.196 1.00 0.00 C ATOM 1062 CZ TYR A 76 6.887 -0.290 -3.490 1.00 0.00 C ATOM 1063 OH TYR A 76 7.465 0.697 -2.747 1.00 0.00 O ATOM 0 H TYR A 76 4.091 -5.401 -6.864 1.00 0.00 H new ATOM 0 HA TYR A 76 6.498 -4.940 -5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.363 -3.300 -6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.976 -3.291 -5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.547 -2.347 -6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.988 -2.057 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.598 -0.551 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.039 -0.261 -2.382 1.00 0.00 H new ATOM 0 HH TYR A 76 8.439 0.649 -2.840 1.00 0.00 H new ATOM 1073 N ALA A 77 3.653 -5.064 -3.701 1.00 0.00 N ATOM 1074 CA ALA A 77 3.103 -5.260 -2.375 1.00 0.00 C ATOM 1075 C ALA A 77 3.830 -6.403 -1.680 1.00 0.00 C ATOM 1076 O ALA A 77 4.181 -6.295 -0.507 1.00 0.00 O ATOM 1077 CB ALA A 77 1.610 -5.554 -2.483 1.00 0.00 C ATOM 0 H ALA A 77 2.952 -4.956 -4.434 1.00 0.00 H new ATOM 0 HA ALA A 77 3.239 -4.355 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.195 -5.702 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.108 -4.715 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.459 -6.456 -3.076 1.00 0.00 H new ATOM 1083 N SER A 78 4.054 -7.500 -2.406 1.00 0.00 N ATOM 1084 CA SER A 78 4.736 -8.654 -1.856 1.00 0.00 C ATOM 1085 C SER A 78 6.137 -8.260 -1.409 1.00 0.00 C ATOM 1086 O SER A 78 6.613 -8.721 -0.374 1.00 0.00 O ATOM 1087 CB SER A 78 4.794 -9.758 -2.907 1.00 0.00 C ATOM 1088 OG SER A 78 3.564 -9.818 -3.595 1.00 0.00 O ATOM 0 H SER A 78 3.768 -7.605 -3.380 1.00 0.00 H new ATOM 0 HA SER A 78 4.190 -9.025 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.606 -9.565 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.004 -10.716 -2.432 1.00 0.00 H new ATOM 0 HG SER A 78 3.575 -9.183 -4.341 1.00 0.00 H new ATOM 1094 N SER A 79 6.797 -7.405 -2.193 1.00 0.00 N ATOM 1095 CA SER A 79 8.137 -6.954 -1.873 1.00 0.00 C ATOM 1096 C SER A 79 8.114 -6.137 -0.589 1.00 0.00 C ATOM 1097 O SER A 79 9.062 -6.177 0.192 1.00 0.00 O ATOM 1098 CB SER A 79 8.684 -6.124 -3.031 1.00 0.00 C ATOM 1099 OG SER A 79 9.525 -6.928 -3.828 1.00 0.00 O ATOM 0 H SER A 79 6.417 -7.015 -3.055 1.00 0.00 H new ATOM 0 HA SER A 79 8.787 -7.815 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.863 -5.731 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.238 -5.267 -2.649 1.00 0.00 H new ATOM 0 HG SER A 79 9.876 -6.397 -4.573 1.00 0.00 H new ATOM 1105 N MET A 80 7.025 -5.395 -0.370 1.00 0.00 N ATOM 1106 CA MET A 80 6.888 -4.575 0.817 1.00 0.00 C ATOM 1107 C MET A 80 6.696 -5.460 2.039 1.00 0.00 C ATOM 1108 O MET A 80 7.231 -5.172 3.108 1.00 0.00 O ATOM 1109 CB MET A 80 5.703 -3.629 0.645 1.00 0.00 C ATOM 1110 CG MET A 80 6.118 -2.215 1.044 1.00 0.00 C ATOM 1111 SD MET A 80 5.485 -1.691 2.656 1.00 0.00 S ATOM 1112 CE MET A 80 3.712 -1.715 2.294 1.00 0.00 C ATOM 0 H MET A 80 6.229 -5.351 -1.006 1.00 0.00 H new ATOM 0 HA MET A 80 7.793 -3.984 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.362 -3.641 -0.390 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.867 -3.961 1.260 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.206 -2.156 1.056 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.769 -1.516 0.283 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.157 -1.382 3.171 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.502 -1.049 1.457 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.407 -2.729 2.035 1.00 0.00 H new ATOM 1122 N LEU A 81 5.930 -6.542 1.880 1.00 0.00 N ATOM 1123 CA LEU A 81 5.672 -7.464 2.968 1.00 0.00 C ATOM 1124 C LEU A 81 6.976 -8.104 3.423 1.00 0.00 C ATOM 1125 O LEU A 81 7.281 -8.120 4.614 1.00 0.00 O ATOM 1126 CB LEU A 81 4.680 -8.528 2.509 1.00 0.00 C ATOM 1127 CG LEU A 81 4.465 -9.541 3.629 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.600 -10.561 3.618 1.00 0.00 C ATOM 1129 CD2 LEU A 81 4.444 -8.816 4.972 1.00 0.00 C ATOM 0 H LEU A 81 5.480 -6.794 1.000 1.00 0.00 H new ATOM 0 HA LEU A 81 5.241 -6.924 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.732 -8.063 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.056 -9.030 1.617 1.00 0.00 H new ATOM 0 HG LEU A 81 3.515 -10.054 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.446 -11.285 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.615 -11.078 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.550 -10.049 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.290 -9.539 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.394 -8.303 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.633 -8.088 4.980 1.00 0.00 H new ATOM 1141 N LYS A 82 7.748 -8.633 2.470 1.00 0.00 N ATOM 1142 CA LYS A 82 9.012 -9.270 2.779 1.00 0.00 C ATOM 1143 C LYS A 82 9.899 -8.310 3.558 1.00 0.00 C ATOM 1144 O LYS A 82 10.420 -8.661 4.615 1.00 0.00 O ATOM 1145 CB LYS A 82 9.692 -9.702 1.483 1.00 0.00 C ATOM 1146 CG LYS A 82 9.444 -11.190 1.250 1.00 0.00 C ATOM 1147 CD LYS A 82 7.950 -11.480 1.358 1.00 0.00 C ATOM 1148 CE LYS A 82 7.701 -12.445 2.514 1.00 0.00 C ATOM 1149 NZ LYS A 82 8.185 -13.795 2.187 1.00 0.00 N ATOM 0 H LYS A 82 7.511 -8.628 1.478 1.00 0.00 H new ATOM 0 HA LYS A 82 8.837 -10.152 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.304 -9.122 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.763 -9.505 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.812 -11.481 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.994 -11.780 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.400 -10.553 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.584 -11.910 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.204 -12.082 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.635 -12.481 2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.914 -14.454 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.763 -14.107 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.221 -13.780 2.096 1.00 0.00 H new ATOM 1163 N HIS A 83 10.071 -7.093 3.035 1.00 0.00 N ATOM 1164 CA HIS A 83 10.895 -6.094 3.686 1.00 0.00 C ATOM 1165 C HIS A 83 10.691 -6.153 5.193 1.00 0.00 C ATOM 1166 O HIS A 83 11.605 -5.849 5.957 1.00 0.00 O ATOM 1167 CB HIS A 83 10.538 -4.712 3.146 1.00 0.00 C ATOM 1168 CG HIS A 83 11.749 -3.908 2.761 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.487 -3.112 3.594 1.00 0.00 N flip ATOM 1170 CD2 HIS A 83 12.314 -3.842 1.508 1.00 0.00 C flip ATOM 1171 CE1 HIS A 83 13.521 -2.548 2.841 1.00 0.00 C flip ATOM 1172 NE2 HIS A 83 13.375 -3.018 1.591 1.00 0.00 N flip ATOM 0 H HIS A 83 9.646 -6.784 2.161 1.00 0.00 H new ATOM 0 HA HIS A 83 11.946 -6.293 3.476 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.889 -4.823 2.277 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.970 -4.167 3.900 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.314 -2.958 4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.970 -4.356 0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.284 -1.870 3.194 1.00 0.00 H new ATOM 1180 N GLY A 84 9.489 -6.545 5.620 1.00 0.00 N ATOM 1181 CA GLY A 84 9.177 -6.640 7.032 1.00 0.00 C ATOM 1182 C GLY A 84 8.488 -5.368 7.507 1.00 0.00 C ATOM 1183 O GLY A 84 8.513 -5.051 8.694 1.00 0.00 O ATOM 0 H GLY A 84 8.720 -6.800 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.532 -7.500 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.091 -6.802 7.603 1.00 0.00 H new ATOM 1187 N PHE A 85 7.871 -4.638 6.575 1.00 0.00 N ATOM 1188 CA PHE A 85 7.181 -3.407 6.903 1.00 0.00 C ATOM 1189 C PHE A 85 5.713 -3.697 7.183 1.00 0.00 C ATOM 1190 O PHE A 85 4.915 -2.776 7.341 1.00 0.00 O ATOM 1191 CB PHE A 85 7.326 -2.420 5.748 1.00 0.00 C ATOM 1192 CG PHE A 85 8.663 -1.719 5.720 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.129 -1.053 6.860 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.436 -1.731 4.552 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.367 -0.401 6.833 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.674 -1.079 4.526 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.140 -0.414 5.666 1.00 0.00 C ATOM 0 H PHE A 85 7.840 -4.887 5.586 1.00 0.00 H new ATOM 0 HA PHE A 85 7.621 -2.967 7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.183 -2.951 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.535 -1.674 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.533 -1.042 7.760 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.077 -2.243 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.726 0.112 7.713 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.270 -1.089 3.626 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.096 0.089 5.645 1.00 0.00 H new ATOM 1207 N LEU A 86 5.358 -4.983 7.245 1.00 0.00 N ATOM 1208 CA LEU A 86 3.991 -5.388 7.505 1.00 0.00 C ATOM 1209 C LEU A 86 3.963 -6.427 8.617 1.00 0.00 C ATOM 1210 O LEU A 86 5.010 -6.889 9.064 1.00 0.00 O ATOM 1211 CB LEU A 86 3.374 -5.947 6.227 1.00 0.00 C ATOM 1212 CG LEU A 86 2.417 -4.919 5.631 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.359 -5.094 4.117 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.024 -5.119 6.221 1.00 0.00 C ATOM 0 H LEU A 86 6.008 -5.758 7.117 1.00 0.00 H new ATOM 0 HA LEU A 86 3.408 -4.525 7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.157 -6.190 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.841 -6.873 6.443 1.00 0.00 H new ATOM 0 HG LEU A 86 2.770 -3.915 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.675 -4.359 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.354 -4.950 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.006 -6.098 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.340 -4.385 5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.670 -6.123 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.065 -4.992 7.303 1.00 0.00 H new ATOM 1226 N ARG A 87 2.759 -6.795 9.062 1.00 0.00 N ATOM 1227 CA ARG A 87 2.600 -7.775 10.117 1.00 0.00 C ATOM 1228 C ARG A 87 1.469 -8.731 9.766 1.00 0.00 C ATOM 1229 O ARG A 87 0.311 -8.327 9.697 1.00 0.00 O ATOM 1230 CB ARG A 87 2.315 -7.061 11.435 1.00 0.00 C ATOM 1231 CG ARG A 87 3.477 -6.129 11.770 1.00 0.00 C ATOM 1232 CD ARG A 87 4.728 -6.957 12.049 1.00 0.00 C ATOM 1233 NE ARG A 87 5.457 -6.434 13.205 1.00 0.00 N ATOM 1234 CZ ARG A 87 6.365 -7.154 13.877 1.00 0.00 C ATOM 1235 NH1 ARG A 87 6.641 -8.409 13.496 1.00 0.00 N ATOM 1236 NH2 ARG A 87 7.000 -6.620 14.929 1.00 0.00 N ATOM 0 H ARG A 87 1.881 -6.422 8.700 1.00 0.00 H new ATOM 0 HA ARG A 87 3.518 -8.353 10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.388 -6.492 11.360 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.177 -7.790 12.234 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.658 -5.444 10.942 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.230 -5.520 12.639 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.448 -7.995 12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.376 -6.950 11.173 1.00 0.00 H new ATOM 0 HE ARG A 87 5.266 -5.480 13.512 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.160 -8.816 12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.332 -8.957 14.008 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.792 -5.664 15.219 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.691 -7.169 15.440 1.00 0.00 H new ATOM 1250 N HIS A 88 1.806 -10.004 9.546 1.00 0.00 N ATOM 1251 CA HIS A 88 0.816 -11.006 9.203 1.00 0.00 C ATOM 1252 C HIS A 88 0.606 -11.952 10.377 1.00 0.00 C ATOM 1253 O HIS A 88 1.090 -11.696 11.478 1.00 0.00 O ATOM 1254 CB HIS A 88 1.278 -11.773 7.967 1.00 0.00 C ATOM 1255 CG HIS A 88 1.358 -10.906 6.742 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.182 -9.541 6.701 1.00 0.00 N ATOM 1257 CD2 HIS A 88 1.618 -11.331 5.467 1.00 0.00 C ATOM 1258 CE1 HIS A 88 1.335 -9.157 5.421 1.00 0.00 C ATOM 1259 NE2 HIS A 88 1.601 -10.211 4.631 1.00 0.00 N ATOM 0 H HIS A 88 2.761 -10.358 9.601 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.134 -10.521 8.981 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.257 -12.211 8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.591 -12.598 7.779 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.803 -12.350 5.161 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.255 -8.137 5.074 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.759 -10.197 3.623 1.00 0.00 H new ATOM 1267 N THR A 89 -0.120 -13.047 10.141 1.00 0.00 N ATOM 1268 CA THR A 89 -0.387 -14.021 11.180 1.00 0.00 C ATOM 1269 C THR A 89 0.194 -15.372 10.787 1.00 0.00 C ATOM 1270 O THR A 89 -0.469 -16.398 10.917 1.00 0.00 O ATOM 1271 CB THR A 89 -1.893 -14.125 11.403 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.449 -15.004 10.450 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.527 -12.745 11.251 1.00 0.00 C ATOM 0 H THR A 89 -0.530 -13.274 9.235 1.00 0.00 H new ATOM 0 HA THR A 89 0.085 -13.703 12.110 1.00 0.00 H new ATOM 0 HB THR A 89 -2.086 -14.505 12.406 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.180 -15.923 10.656 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.603 -12.819 11.410 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.097 -12.064 11.986 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.334 -12.364 10.248 1.00 0.00 H new ATOM 1281 N VAL A 90 1.439 -15.369 10.306 1.00 0.00 N ATOM 1282 CA VAL A 90 2.104 -16.589 9.897 1.00 0.00 C ATOM 1283 C VAL A 90 3.419 -16.736 10.650 1.00 0.00 C ATOM 1284 O VAL A 90 3.750 -15.905 11.492 1.00 0.00 O ATOM 1285 CB VAL A 90 2.345 -16.556 8.390 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.016 -16.358 7.667 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.286 -15.404 8.051 1.00 0.00 C ATOM 0 H VAL A 90 2.002 -14.526 10.193 1.00 0.00 H new ATOM 0 HA VAL A 90 1.475 -17.447 10.132 1.00 0.00 H new ATOM 0 HB VAL A 90 2.794 -17.497 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.187 -16.334 6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.344 -17.181 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.566 -15.417 7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.459 -15.380 6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.837 -14.462 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.235 -15.546 8.568 1.00 0.00 H new ATOM 1297 N ASN A 91 4.168 -17.799 10.345 1.00 0.00 N ATOM 1298 CA ASN A 91 5.440 -18.046 10.994 1.00 0.00 C ATOM 1299 C ASN A 91 6.263 -16.767 11.028 1.00 0.00 C ATOM 1300 O ASN A 91 6.860 -16.436 12.050 1.00 0.00 O ATOM 1301 CB ASN A 91 6.185 -19.148 10.246 1.00 0.00 C ATOM 1302 CG ASN A 91 6.374 -20.373 11.129 1.00 0.00 C ATOM 1303 OD1 ASN A 91 6.530 -20.248 12.342 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.357 -21.560 10.519 1.00 0.00 N ATOM 0 H ASN A 91 3.907 -18.499 9.650 1.00 0.00 H new ATOM 0 HA ASN A 91 5.270 -18.370 12.021 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.630 -19.423 9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.156 -18.778 9.918 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.477 -22.415 11.063 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.224 -21.613 9.509 1.00 0.00 H new ATOM 1311 N LYS A 92 6.294 -16.045 9.905 1.00 0.00 N ATOM 1312 CA LYS A 92 7.042 -14.808 9.813 1.00 0.00 C ATOM 1313 C LYS A 92 6.178 -13.726 9.181 1.00 0.00 C ATOM 1314 O LYS A 92 5.812 -12.756 9.841 1.00 0.00 O ATOM 1315 CB LYS A 92 8.306 -15.038 8.991 1.00 0.00 C ATOM 1316 CG LYS A 92 9.080 -16.220 9.569 1.00 0.00 C ATOM 1317 CD LYS A 92 10.573 -15.903 9.564 1.00 0.00 C ATOM 1318 CE LYS A 92 11.240 -16.579 10.758 1.00 0.00 C ATOM 1319 NZ LYS A 92 11.422 -18.019 10.516 1.00 0.00 N ATOM 0 H LYS A 92 5.805 -16.305 9.049 1.00 0.00 H new ATOM 0 HA LYS A 92 7.328 -14.478 10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.046 -15.234 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.927 -14.143 9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.745 -16.426 10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.886 -17.117 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.026 -16.250 8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.727 -14.825 9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.207 -16.114 10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.632 -16.431 11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.878 -18.455 11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.496 -18.464 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.022 -18.157 9.678 1.00 0.00 H new ATOM 1333 N ILE A 93 5.852 -13.895 7.897 1.00 0.00 N ATOM 1334 CA ILE A 93 5.034 -12.937 7.181 1.00 0.00 C ATOM 1335 C ILE A 93 4.485 -13.575 5.913 1.00 0.00 C ATOM 1336 O ILE A 93 3.280 -13.784 5.793 1.00 0.00 O ATOM 1337 CB ILE A 93 5.868 -11.703 6.850 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.345 -12.083 6.807 1.00 0.00 C ATOM 1339 CG2 ILE A 93 5.647 -10.638 7.920 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.119 -11.029 6.020 1.00 0.00 C ATOM 0 H ILE A 93 6.149 -14.694 7.337 1.00 0.00 H new ATOM 0 HA ILE A 93 4.193 -12.633 7.804 1.00 0.00 H new ATOM 0 HB ILE A 93 5.566 -11.310 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.741 -12.160 7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.466 -13.061 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.243 -9.756 7.684 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.592 -10.366 7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 93 5.948 -11.030 8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.174 -11.300 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.729 -10.974 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.008 -10.059 6.504 1.00 0.00 H new ATOM 1352 N THR A 94 5.372 -13.885 4.965 1.00 0.00 N ATOM 1353 CA THR A 94 4.968 -14.497 3.715 1.00 0.00 C ATOM 1354 C THR A 94 3.690 -13.846 3.208 1.00 0.00 C ATOM 1355 O THR A 94 2.592 -14.245 3.590 1.00 0.00 O ATOM 1356 CB THR A 94 4.765 -15.995 3.926 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.599 -16.208 4.689 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.969 -16.573 4.665 1.00 0.00 C ATOM 0 H THR A 94 6.375 -13.718 5.048 1.00 0.00 H new ATOM 0 HA THR A 94 5.747 -14.350 2.967 1.00 0.00 H new ATOM 0 HB THR A 94 4.662 -16.487 2.959 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.137 -15.354 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.824 -17.643 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.871 -16.408 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.073 -16.081 5.632 1.00 0.00 H new ATOM 1366 N PHE A 95 3.834 -12.839 2.343 1.00 0.00 N ATOM 1367 CA PHE A 95 2.692 -12.140 1.788 1.00 0.00 C ATOM 1368 C PHE A 95 1.633 -13.144 1.355 1.00 0.00 C ATOM 1369 O PHE A 95 1.891 -14.345 1.317 1.00 0.00 O ATOM 1370 CB PHE A 95 3.145 -11.286 0.607 1.00 0.00 C ATOM 1371 CG PHE A 95 2.115 -10.274 0.166 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.021 -9.040 0.822 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.253 -10.568 -0.897 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.066 -8.102 0.415 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.297 -9.630 -1.304 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.204 -8.397 -0.648 1.00 0.00 C ATOM 0 H PHE A 95 4.737 -12.495 2.016 1.00 0.00 H new ATOM 0 HA PHE A 95 2.256 -11.488 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.063 -10.764 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.384 -11.939 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.686 -8.813 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.326 -11.519 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.994 -7.150 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.368 -9.858 -2.124 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.533 -7.673 -0.962 1.00 0.00 H new ATOM 1386 N SER A 96 0.437 -12.648 1.028 1.00 0.00 N ATOM 1387 CA SER A 96 -0.652 -13.502 0.599 1.00 0.00 C ATOM 1388 C SER A 96 -1.822 -12.650 0.127 1.00 0.00 C ATOM 1389 O SER A 96 -2.388 -12.902 -0.934 1.00 0.00 O ATOM 1390 CB SER A 96 -1.072 -14.407 1.753 1.00 0.00 C ATOM 1391 OG SER A 96 -0.719 -15.740 1.457 1.00 0.00 O ATOM 0 H SER A 96 0.207 -11.655 1.055 1.00 0.00 H new ATOM 0 HA SER A 96 -0.324 -14.125 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.587 -14.087 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.147 -14.332 1.916 1.00 0.00 H new ATOM 0 HG SER A 96 0.247 -15.795 1.299 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.183 -11.638 0.919 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.280 -10.756 0.576 1.00 0.00 C ATOM 1399 C GLU A 97 -4.606 -11.480 0.761 1.00 0.00 C ATOM 1400 O GLU A 97 -5.494 -11.380 -0.082 1.00 0.00 O ATOM 1401 CB GLU A 97 -3.119 -10.283 -0.866 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.933 -9.010 -1.078 1.00 0.00 C ATOM 1403 CD GLU A 97 -5.321 -9.335 -1.610 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -6.268 -9.282 -0.796 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -5.409 -9.631 -2.821 1.00 0.00 O ATOM 0 H GLU A 97 -1.725 -11.416 1.803 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.270 -9.887 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.067 -10.095 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.453 -11.060 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.018 -8.467 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.415 -8.355 -1.778 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.739 -12.210 1.871 1.00 0.00 N ATOM 1414 CA GLN A 98 -5.953 -12.946 2.161 1.00 0.00 C ATOM 1415 C GLN A 98 -6.321 -12.779 3.628 1.00 0.00 C ATOM 1416 O GLN A 98 -7.481 -12.543 3.957 1.00 0.00 O ATOM 1417 CB GLN A 98 -5.746 -14.419 1.820 1.00 0.00 C ATOM 1418 CG GLN A 98 -6.880 -14.897 0.917 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.564 -16.263 0.325 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -5.970 -17.108 0.992 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -6.962 -16.478 -0.931 1.00 0.00 N ATOM 0 H GLN A 98 -4.013 -12.302 2.581 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.772 -12.557 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.787 -14.556 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.718 -15.014 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.807 -14.949 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.040 -14.177 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.452 -15.745 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.776 -17.376 -1.378 1.00 0.00 H new ATOM 1430 N CYS A 99 -5.326 -12.901 4.511 1.00 0.00 N ATOM 1431 CA CYS A 99 -5.543 -12.762 5.937 1.00 0.00 C ATOM 1432 C CYS A 99 -5.260 -11.327 6.359 1.00 0.00 C ATOM 1433 O CYS A 99 -4.105 -10.947 6.531 1.00 0.00 O ATOM 1434 CB CYS A 99 -4.637 -13.736 6.686 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.339 -14.037 8.327 1.00 0.00 S ATOM 0 H CYS A 99 -4.359 -13.097 4.252 1.00 0.00 H new ATOM 0 HA CYS A 99 -6.580 -12.995 6.178 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.551 -14.672 6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.632 -13.325 6.775 1.00 0.00 H new ATOM 0 HG CYS A 99 -4.580 -14.867 8.978 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.319 -10.531 6.525 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.175 -9.145 6.923 1.00 0.00 C ATOM 1443 C TYR A 100 -4.985 -8.998 7.861 1.00 0.00 C ATOM 1444 O TYR A 100 -4.929 -9.646 8.903 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.459 -8.677 7.602 1.00 0.00 C ATOM 1446 CG TYR A 100 -8.442 -8.032 6.654 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.750 -8.653 5.437 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -9.045 -6.815 6.991 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.662 -8.056 4.558 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -9.956 -6.218 6.112 1.00 0.00 C ATOM 1451 CZ TYR A 100 -10.265 -6.838 4.895 1.00 0.00 C ATOM 1452 OH TYR A 100 -11.153 -6.257 4.039 1.00 0.00 O ATOM 0 H TYR A 100 -7.284 -10.832 6.388 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.997 -8.526 6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.937 -9.530 8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.206 -7.967 8.389 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.284 -9.592 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.807 -6.336 7.930 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.900 -8.535 3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.421 -5.279 6.372 1.00 0.00 H new ATOM 0 HH TYR A 100 -11.479 -5.418 4.426 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.031 -8.141 7.488 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.850 -7.916 8.295 1.00 0.00 C ATOM 1464 C TYR A 101 -2.733 -6.438 8.639 1.00 0.00 C ATOM 1465 O TYR A 101 -3.611 -5.649 8.299 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.616 -8.393 7.533 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.608 -9.880 7.269 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.079 -10.767 8.245 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -1.131 -10.372 6.049 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.072 -12.145 8.000 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -1.124 -11.750 5.804 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.595 -12.637 6.780 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.588 -13.980 6.541 1.00 0.00 O ATOM 0 H TYR A 101 -4.063 -7.594 6.627 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.928 -8.479 9.225 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.559 -7.863 6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.724 -8.128 8.100 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.448 -10.388 9.187 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.768 -9.688 5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.435 -12.829 8.753 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.755 -12.129 4.862 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.226 -14.151 5.646 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.644 -6.065 9.316 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.418 -4.687 9.702 1.00 0.00 C ATOM 1485 C VAL A 102 0.069 -4.370 9.630 1.00 0.00 C ATOM 1486 O VAL A 102 0.903 -5.228 9.911 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.952 -4.461 11.113 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.789 -4.167 12.057 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.915 -3.278 11.109 1.00 0.00 C ATOM 0 H VAL A 102 -0.907 -6.708 9.605 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.945 -4.022 9.018 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.476 -5.355 11.450 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.171 -4.005 13.065 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.101 -5.012 12.061 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.264 -3.273 11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.297 -3.116 12.117 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.391 -2.384 10.771 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.746 -3.488 10.436 1.00 0.00 H new ATOM 1499 N PHE A 103 0.400 -3.133 9.253 1.00 0.00 N ATOM 1500 CA PHE A 103 1.782 -2.712 9.148 1.00 0.00 C ATOM 1501 C PHE A 103 2.568 -3.214 10.352 1.00 0.00 C ATOM 1502 O PHE A 103 1.987 -3.734 11.302 1.00 0.00 O ATOM 1503 CB PHE A 103 1.844 -1.189 9.059 1.00 0.00 C ATOM 1504 CG PHE A 103 1.260 -0.491 10.263 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.902 -0.579 11.504 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.077 0.249 10.139 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.362 0.070 12.620 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.463 0.899 11.255 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.179 0.809 12.495 1.00 0.00 C ATOM 0 H PHE A 103 -0.279 -2.410 9.017 1.00 0.00 H new ATOM 0 HA PHE A 103 2.227 -3.134 8.247 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.883 -0.882 8.940 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.311 -0.863 8.166 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.815 -1.148 11.600 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.419 0.318 9.182 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.857 0.001 13.577 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.375 1.470 11.159 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.238 1.310 13.356 1.00 0.00 H new ATOM 1519 N GLY A 104 3.893 -3.057 10.310 1.00 0.00 N ATOM 1520 CA GLY A 104 4.746 -3.496 11.397 1.00 0.00 C ATOM 1521 C GLY A 104 5.827 -2.460 11.671 1.00 0.00 C ATOM 1522 O GLY A 104 5.639 -1.276 11.399 1.00 0.00 O ATOM 0 H GLY A 104 4.391 -2.628 9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.149 -3.655 12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.205 -4.452 11.145 1.00 0.00 H new ATOM 1526 N ASP A 105 6.961 -2.908 12.213 1.00 0.00 N ATOM 1527 CA ASP A 105 8.064 -2.020 12.522 1.00 0.00 C ATOM 1528 C ASP A 105 9.247 -2.828 13.036 1.00 0.00 C ATOM 1529 O ASP A 105 9.396 -3.015 14.241 1.00 0.00 O ATOM 1530 CB ASP A 105 7.616 -0.997 13.561 1.00 0.00 C ATOM 1531 CG ASP A 105 8.468 0.262 13.486 1.00 0.00 C ATOM 1532 OD1 ASP A 105 9.702 0.106 13.369 1.00 0.00 O ATOM 1533 OD2 ASP A 105 7.868 1.358 13.548 1.00 0.00 O ATOM 0 H ASP A 105 7.132 -3.886 12.445 1.00 0.00 H new ATOM 0 HA ASP A 105 8.374 -1.491 11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.569 -0.742 13.398 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.688 -1.431 14.559 1.00 0.00 H new TER 1539 ASP A 105