USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 785 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 26 ASN : amide:sc= 0.579 K(o=3.2,f=1.7) USER MOD Set 1.2: A 54 GLN : amide:sc= 2.61 K(o=3.2,f=-1.4) USER MOD Set 2.1: A 25 THR OG1 : rot -73:sc= 2.21 USER MOD Set 2.2: A 27 SER OG : rot -100:sc= 1.21 USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.025 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00632 USER MOD Single : A 3 SER OG : rot 180:sc= 0.108 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -35:sc= 1.56 USER MOD Single : A 10 ASN : amide:sc= 0.994 K(o=0.99,f=-5.8!) USER MOD Single : A 11 HIS : no HD1:sc=-0.00537 X(o=-0.0054,f=-0.0051) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 31 GLN : amide:sc= 0.511 K(o=0.51,f=-0.38) USER MOD Single : A 36 MET CE :methyl 159:sc=-0.00043 (180deg=-0.0293) USER MOD Single : A 38 SER OG : rot 79:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot -84:sc= 1.2 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 86:sc= 0.0141 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 1.05 (180deg=0.889) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 1.15 K(o=1.2,f=-0.00035) USER MOD Single : A 87 GLN : amide:sc= -0.0948 X(o=-0.095,f=-0.46) USER MOD Single : A 90 ASN : amide:sc= 0.857 K(o=0.86,f=-6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 103 SER OG : rot 180:sc=0.000273 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.799 -0.514 -19.526 1.00 0.00 N ATOM 2 CA SER A 1 5.794 0.216 -18.701 1.00 0.00 C ATOM 3 C SER A 1 6.448 1.043 -17.587 1.00 0.00 C ATOM 4 O SER A 1 7.502 0.662 -17.081 1.00 0.00 O ATOM 5 CB SER A 1 4.752 -0.751 -18.115 1.00 0.00 C ATOM 6 OG SER A 1 4.149 -1.483 -19.172 1.00 0.00 O ATOM 0 H1 SER A 1 6.407 -1.432 -19.819 1.00 0.00 H new ATOM 0 H2 SER A 1 7.031 0.049 -20.369 1.00 0.00 H new ATOM 0 H3 SER A 1 7.661 -0.669 -18.966 1.00 0.00 H new ATOM 0 HA SER A 1 5.286 0.913 -19.367 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.227 -1.432 -17.409 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.994 -0.196 -17.562 1.00 0.00 H new ATOM 0 HG SER A 1 3.485 -2.102 -18.804 1.00 0.00 H new ATOM 14 N VAL A 2 5.837 2.176 -17.196 1.00 0.00 N ATOM 15 CA VAL A 2 6.412 3.153 -16.228 1.00 0.00 C ATOM 16 C VAL A 2 5.616 3.333 -14.922 1.00 0.00 C ATOM 17 O VAL A 2 6.026 4.110 -14.062 1.00 0.00 O ATOM 18 CB VAL A 2 6.665 4.526 -16.897 1.00 0.00 C ATOM 19 CG1 VAL A 2 7.622 4.401 -18.089 1.00 0.00 C ATOM 20 CG2 VAL A 2 5.377 5.218 -17.366 1.00 0.00 C ATOM 0 H VAL A 2 4.918 2.451 -17.543 1.00 0.00 H new ATOM 0 HA VAL A 2 7.360 2.706 -15.929 1.00 0.00 H new ATOM 0 HB VAL A 2 7.116 5.144 -16.121 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.778 5.383 -18.535 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.577 4.002 -17.748 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.192 3.729 -18.832 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.625 6.175 -17.826 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.869 4.586 -18.095 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.722 5.385 -16.511 1.00 0.00 H new ATOM 30 N SER A 3 4.483 2.640 -14.757 1.00 0.00 N ATOM 31 CA SER A 3 3.542 2.865 -13.644 1.00 0.00 C ATOM 32 C SER A 3 4.047 2.356 -12.292 1.00 0.00 C ATOM 33 O SER A 3 4.500 1.219 -12.164 1.00 0.00 O ATOM 34 CB SER A 3 2.180 2.250 -13.979 1.00 0.00 C ATOM 35 OG SER A 3 1.355 2.201 -12.826 1.00 0.00 O ATOM 0 H SER A 3 4.188 1.901 -15.395 1.00 0.00 H new ATOM 0 HA SER A 3 3.446 3.945 -13.534 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.692 2.837 -14.757 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.317 1.245 -14.377 1.00 0.00 H new ATOM 0 HG SER A 3 0.489 1.807 -13.060 1.00 0.00 H new ATOM 41 N ILE A 4 3.866 3.180 -11.255 1.00 0.00 N ATOM 42 CA ILE A 4 4.181 2.847 -9.856 1.00 0.00 C ATOM 43 C ILE A 4 3.024 2.072 -9.208 1.00 0.00 C ATOM 44 O ILE A 4 3.219 1.386 -8.210 1.00 0.00 O ATOM 45 CB ILE A 4 4.571 4.114 -9.048 1.00 0.00 C ATOM 46 CG1 ILE A 4 5.345 5.192 -9.850 1.00 0.00 C ATOM 47 CG2 ILE A 4 5.392 3.725 -7.803 1.00 0.00 C ATOM 48 CD1 ILE A 4 6.620 4.712 -10.561 1.00 0.00 C ATOM 0 H ILE A 4 3.487 4.121 -11.365 1.00 0.00 H new ATOM 0 HA ILE A 4 5.053 2.192 -9.846 1.00 0.00 H new ATOM 0 HB ILE A 4 3.621 4.568 -8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.673 5.614 -10.597 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.614 6.000 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.658 4.624 -7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.799 3.067 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.300 3.208 -8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.078 5.548 -11.089 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.321 4.320 -9.825 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.366 3.928 -11.274 1.00 0.00 H new ATOM 60 N LEU A 5 1.820 2.115 -9.790 1.00 0.00 N ATOM 61 CA LEU A 5 0.698 1.249 -9.403 1.00 0.00 C ATOM 62 C LEU A 5 0.895 -0.188 -9.923 1.00 0.00 C ATOM 63 O LEU A 5 0.530 -1.138 -9.234 1.00 0.00 O ATOM 64 CB LEU A 5 -0.618 1.869 -9.918 1.00 0.00 C ATOM 65 CG LEU A 5 -1.043 3.139 -9.155 1.00 0.00 C ATOM 66 CD1 LEU A 5 -2.069 3.931 -9.965 1.00 0.00 C ATOM 67 CD2 LEU A 5 -1.672 2.792 -7.806 1.00 0.00 C ATOM 0 H LEU A 5 1.594 2.757 -10.550 1.00 0.00 H new ATOM 0 HA LEU A 5 0.653 1.181 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.507 2.111 -10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.413 1.127 -9.843 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.143 3.733 -8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.358 4.824 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.632 4.221 -10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.949 3.313 -10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.961 3.709 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.554 2.172 -7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.950 2.247 -7.197 1.00 0.00 H new ATOM 79 N ARG A 6 1.524 -0.361 -11.095 1.00 0.00 N ATOM 80 CA ARG A 6 1.873 -1.690 -11.647 1.00 0.00 C ATOM 81 C ARG A 6 3.189 -2.249 -11.086 1.00 0.00 C ATOM 82 O ARG A 6 3.284 -3.457 -10.871 1.00 0.00 O ATOM 83 CB ARG A 6 1.906 -1.642 -13.185 1.00 0.00 C ATOM 84 CG ARG A 6 0.516 -1.348 -13.776 1.00 0.00 C ATOM 85 CD ARG A 6 0.540 -1.392 -15.309 1.00 0.00 C ATOM 86 NE ARG A 6 -0.790 -1.084 -15.875 1.00 0.00 N ATOM 87 CZ ARG A 6 -1.781 -1.927 -16.115 1.00 0.00 C ATOM 88 NH1 ARG A 6 -1.692 -3.203 -15.858 1.00 0.00 N ATOM 89 NH2 ARG A 6 -2.898 -1.497 -16.623 1.00 0.00 N ATOM 0 H ARG A 6 1.808 0.415 -11.693 1.00 0.00 H new ATOM 0 HA ARG A 6 1.090 -2.378 -11.329 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.609 -0.875 -13.510 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.271 -2.594 -13.571 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.202 -2.077 -13.401 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.178 -0.367 -13.444 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.272 -0.677 -15.684 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.860 -2.380 -15.642 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.964 -0.106 -16.108 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.835 -3.584 -15.457 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.479 -3.820 -16.058 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.013 -0.507 -16.838 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.660 -2.150 -16.807 1.00 0.00 H new ATOM 103 N SER A 7 4.155 -1.369 -10.810 1.00 0.00 N ATOM 104 CA SER A 7 5.491 -1.693 -10.276 1.00 0.00 C ATOM 105 C SER A 7 5.813 -0.813 -9.059 1.00 0.00 C ATOM 106 O SER A 7 6.587 0.143 -9.137 1.00 0.00 O ATOM 107 CB SER A 7 6.556 -1.554 -11.375 1.00 0.00 C ATOM 108 OG SER A 7 6.298 -2.463 -12.440 1.00 0.00 O ATOM 0 H SER A 7 4.027 -0.368 -10.957 1.00 0.00 H new ATOM 0 HA SER A 7 5.495 -2.730 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.563 -0.532 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.544 -1.746 -10.957 1.00 0.00 H new ATOM 0 HG SER A 7 6.985 -2.360 -13.132 1.00 0.00 H new ATOM 114 N SER A 8 5.172 -1.115 -7.928 1.00 0.00 N ATOM 115 CA SER A 8 5.313 -0.385 -6.661 1.00 0.00 C ATOM 116 C SER A 8 6.673 -0.631 -5.986 1.00 0.00 C ATOM 117 O SER A 8 7.229 -1.728 -6.062 1.00 0.00 O ATOM 118 CB SER A 8 4.177 -0.748 -5.697 1.00 0.00 C ATOM 119 OG SER A 8 2.905 -0.574 -6.303 1.00 0.00 O ATOM 0 H SER A 8 4.520 -1.897 -7.864 1.00 0.00 H new ATOM 0 HA SER A 8 5.257 0.676 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.289 -1.783 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.244 -0.127 -4.804 1.00 0.00 H new ATOM 0 HG SER A 8 2.935 0.193 -6.912 1.00 0.00 H new ATOM 125 N VAL A 9 7.180 0.387 -5.277 1.00 0.00 N ATOM 126 CA VAL A 9 8.438 0.354 -4.499 1.00 0.00 C ATOM 127 C VAL A 9 8.251 0.961 -3.100 1.00 0.00 C ATOM 128 O VAL A 9 7.363 1.788 -2.886 1.00 0.00 O ATOM 129 CB VAL A 9 9.602 1.050 -5.245 1.00 0.00 C ATOM 130 CG1 VAL A 9 9.971 0.301 -6.532 1.00 0.00 C ATOM 131 CG2 VAL A 9 9.316 2.514 -5.605 1.00 0.00 C ATOM 0 H VAL A 9 6.712 1.292 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 9 8.704 -0.696 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 9 10.433 1.031 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.792 0.817 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.278 -0.716 -6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.106 0.269 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.176 2.935 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.440 2.565 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.129 3.083 -4.694 1.00 0.00 H new ATOM 141 N ASN A 10 9.094 0.559 -2.143 1.00 0.00 N ATOM 142 CA ASN A 10 9.085 1.086 -0.769 1.00 0.00 C ATOM 143 C ASN A 10 9.754 2.476 -0.683 1.00 0.00 C ATOM 144 O ASN A 10 10.662 2.785 -1.458 1.00 0.00 O ATOM 145 CB ASN A 10 9.763 0.041 0.142 1.00 0.00 C ATOM 146 CG ASN A 10 9.726 0.412 1.616 1.00 0.00 C ATOM 147 OD1 ASN A 10 10.682 0.935 2.168 1.00 0.00 O ATOM 148 ND2 ASN A 10 8.626 0.193 2.292 1.00 0.00 N ATOM 0 H ASN A 10 9.811 -0.149 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 10 8.060 1.244 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.273 -0.923 0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.801 -0.082 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.570 0.459 3.275 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.825 -0.243 1.835 1.00 0.00 H new ATOM 155 N HIS A 11 9.372 3.291 0.310 1.00 0.00 N ATOM 156 CA HIS A 11 9.970 4.616 0.568 1.00 0.00 C ATOM 157 C HIS A 11 11.502 4.568 0.692 1.00 0.00 C ATOM 158 O HIS A 11 12.175 5.436 0.139 1.00 0.00 O ATOM 159 CB HIS A 11 9.339 5.210 1.843 1.00 0.00 C ATOM 160 CG HIS A 11 10.028 6.450 2.367 1.00 0.00 C ATOM 161 ND1 HIS A 11 10.505 6.611 3.671 1.00 0.00 N ATOM 162 CD2 HIS A 11 10.353 7.563 1.640 1.00 0.00 C ATOM 163 CE1 HIS A 11 11.103 7.815 3.701 1.00 0.00 C ATOM 164 NE2 HIS A 11 11.031 8.406 2.497 1.00 0.00 N ATOM 0 H HIS A 11 8.630 3.049 0.967 1.00 0.00 H new ATOM 0 HA HIS A 11 9.757 5.253 -0.291 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.295 5.449 1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.345 4.449 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.124 7.746 0.600 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.575 8.246 4.571 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.412 9.321 2.257 1.00 0.00 H new ATOM 172 N ARG A 12 12.062 3.526 1.325 1.00 0.00 N ATOM 173 CA ARG A 12 13.523 3.369 1.489 1.00 0.00 C ATOM 174 C ARG A 12 14.270 3.233 0.157 1.00 0.00 C ATOM 175 O ARG A 12 15.397 3.707 0.050 1.00 0.00 O ATOM 176 CB ARG A 12 13.824 2.163 2.395 1.00 0.00 C ATOM 177 CG ARG A 12 13.359 2.393 3.842 1.00 0.00 C ATOM 178 CD ARG A 12 13.503 1.131 4.699 1.00 0.00 C ATOM 179 NE ARG A 12 12.544 0.085 4.288 1.00 0.00 N ATOM 180 CZ ARG A 12 12.468 -1.150 4.757 1.00 0.00 C ATOM 181 NH1 ARG A 12 13.280 -1.589 5.675 1.00 0.00 N ATOM 182 NH2 ARG A 12 11.567 -1.976 4.309 1.00 0.00 N ATOM 0 H ARG A 12 11.520 2.768 1.738 1.00 0.00 H new ATOM 0 HA ARG A 12 13.887 4.284 1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.332 1.277 1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.896 1.963 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.941 3.201 4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.317 2.714 3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.520 0.747 4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.342 1.382 5.748 1.00 0.00 H new ATOM 0 HE ARG A 12 11.870 0.342 3.567 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.001 -0.975 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.195 -2.547 6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.911 -1.673 3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.518 -2.926 4.678 1.00 0.00 H new ATOM 196 N GLU A 13 13.638 2.655 -0.871 1.00 0.00 N ATOM 197 CA GLU A 13 14.237 2.549 -2.211 1.00 0.00 C ATOM 198 C GLU A 13 14.256 3.906 -2.931 1.00 0.00 C ATOM 199 O GLU A 13 15.262 4.265 -3.538 1.00 0.00 O ATOM 200 CB GLU A 13 13.491 1.504 -3.058 1.00 0.00 C ATOM 201 CG GLU A 13 13.652 0.077 -2.520 1.00 0.00 C ATOM 202 CD GLU A 13 15.091 -0.448 -2.701 1.00 0.00 C ATOM 203 OE1 GLU A 13 15.450 -0.871 -3.829 1.00 0.00 O ATOM 204 OE2 GLU A 13 15.874 -0.443 -1.720 1.00 0.00 O ATOM 0 H GLU A 13 12.704 2.250 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 13 15.270 2.225 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.431 1.758 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.859 1.544 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.388 0.056 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.957 -0.586 -3.035 1.00 0.00 H new ATOM 211 N VAL A 14 13.174 4.689 -2.812 1.00 0.00 N ATOM 212 CA VAL A 14 13.099 6.062 -3.359 1.00 0.00 C ATOM 213 C VAL A 14 14.091 6.989 -2.641 1.00 0.00 C ATOM 214 O VAL A 14 14.822 7.744 -3.281 1.00 0.00 O ATOM 215 CB VAL A 14 11.668 6.629 -3.261 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.549 7.991 -3.955 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.636 5.700 -3.913 1.00 0.00 C ATOM 0 H VAL A 14 12.323 4.393 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 14 13.370 6.011 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 14 11.467 6.725 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.526 8.357 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.231 8.699 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.804 7.886 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.642 6.138 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.879 5.570 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.653 4.731 -3.414 1.00 0.00 H new ATOM 227 N ASP A 15 14.157 6.903 -1.311 1.00 0.00 N ATOM 228 CA ASP A 15 15.089 7.679 -0.490 1.00 0.00 C ATOM 229 C ASP A 15 16.556 7.325 -0.797 1.00 0.00 C ATOM 230 O ASP A 15 17.369 8.227 -1.009 1.00 0.00 O ATOM 231 CB ASP A 15 14.758 7.449 0.989 1.00 0.00 C ATOM 232 CG ASP A 15 15.621 8.346 1.880 1.00 0.00 C ATOM 233 OD1 ASP A 15 15.328 9.562 1.958 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.599 7.852 2.491 1.00 0.00 O ATOM 0 H ASP A 15 13.556 6.284 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 15 14.972 8.736 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.703 7.657 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.925 6.403 1.246 1.00 0.00 H new ATOM 239 N GLU A 16 16.890 6.033 -0.911 1.00 0.00 N ATOM 240 CA GLU A 16 18.221 5.604 -1.349 1.00 0.00 C ATOM 241 C GLU A 16 18.525 6.051 -2.781 1.00 0.00 C ATOM 242 O GLU A 16 19.649 6.468 -3.030 1.00 0.00 O ATOM 243 CB GLU A 16 18.409 4.085 -1.203 1.00 0.00 C ATOM 244 CG GLU A 16 19.752 3.563 -1.757 1.00 0.00 C ATOM 245 CD GLU A 16 21.016 4.207 -1.133 1.00 0.00 C ATOM 246 OE1 GLU A 16 20.970 4.762 -0.011 1.00 0.00 O ATOM 247 OE2 GLU A 16 22.107 4.176 -1.754 1.00 0.00 O ATOM 0 H GLU A 16 16.252 5.265 -0.704 1.00 0.00 H new ATOM 0 HA GLU A 16 18.936 6.095 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.335 3.820 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.593 3.577 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.797 2.485 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.772 3.730 -2.834 1.00 0.00 H new ATOM 254 N ALA A 17 17.570 6.023 -3.718 1.00 0.00 N ATOM 255 CA ALA A 17 17.812 6.501 -5.080 1.00 0.00 C ATOM 256 C ALA A 17 18.149 8.009 -5.111 1.00 0.00 C ATOM 257 O ALA A 17 19.108 8.415 -5.770 1.00 0.00 O ATOM 258 CB ALA A 17 16.596 6.173 -5.956 1.00 0.00 C ATOM 0 H ALA A 17 16.625 5.675 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 17 18.686 5.987 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.773 6.528 -6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.438 5.095 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.712 6.663 -5.549 1.00 0.00 H new ATOM 264 N ILE A 18 17.417 8.827 -4.342 1.00 0.00 N ATOM 265 CA ILE A 18 17.719 10.261 -4.163 1.00 0.00 C ATOM 266 C ILE A 18 19.108 10.457 -3.542 1.00 0.00 C ATOM 267 O ILE A 18 19.916 11.232 -4.048 1.00 0.00 O ATOM 268 CB ILE A 18 16.610 10.924 -3.309 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.335 11.044 -4.166 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.011 12.317 -2.782 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.075 11.351 -3.354 1.00 0.00 C ATOM 0 H ILE A 18 16.596 8.516 -3.824 1.00 0.00 H new ATOM 0 HA ILE A 18 17.737 10.747 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 18 16.441 10.294 -2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.479 11.830 -4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.186 10.113 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.194 12.731 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.901 12.228 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.222 12.977 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.218 11.421 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.905 10.554 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.203 12.297 -2.828 1.00 0.00 H new ATOM 283 N ASP A 19 19.411 9.742 -2.462 1.00 0.00 N ATOM 284 CA ASP A 19 20.681 9.875 -1.751 1.00 0.00 C ATOM 285 C ASP A 19 21.882 9.307 -2.544 1.00 0.00 C ATOM 286 O ASP A 19 22.994 9.829 -2.464 1.00 0.00 O ATOM 287 CB ASP A 19 20.508 9.243 -0.370 1.00 0.00 C ATOM 288 CG ASP A 19 21.497 9.836 0.635 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.138 10.861 1.263 1.00 0.00 O ATOM 290 OD2 ASP A 19 22.596 9.258 0.792 1.00 0.00 O ATOM 0 H ASP A 19 18.781 9.052 -2.053 1.00 0.00 H new ATOM 0 HA ASP A 19 20.930 10.930 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.488 9.402 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.657 8.165 -0.439 1.00 0.00 H new ATOM 295 N ASN A 20 21.656 8.293 -3.386 1.00 0.00 N ATOM 296 CA ASN A 20 22.628 7.775 -4.349 1.00 0.00 C ATOM 297 C ASN A 20 22.896 8.786 -5.476 1.00 0.00 C ATOM 298 O ASN A 20 24.054 8.987 -5.835 1.00 0.00 O ATOM 299 CB ASN A 20 22.126 6.431 -4.900 1.00 0.00 C ATOM 300 CG ASN A 20 23.067 5.833 -5.931 1.00 0.00 C ATOM 301 OD1 ASN A 20 22.948 6.069 -7.125 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.039 5.054 -5.509 1.00 0.00 N ATOM 0 H ASN A 20 20.765 7.797 -3.415 1.00 0.00 H new ATOM 0 HA ASN A 20 23.580 7.615 -3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.002 5.728 -4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.143 6.571 -5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.693 4.647 -6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.139 4.857 -4.513 1.00 0.00 H new ATOM 309 N ILE A 21 21.867 9.476 -5.987 1.00 0.00 N ATOM 310 CA ILE A 21 22.041 10.584 -6.945 1.00 0.00 C ATOM 311 C ILE A 21 22.830 11.733 -6.303 1.00 0.00 C ATOM 312 O ILE A 21 23.756 12.256 -6.918 1.00 0.00 O ATOM 313 CB ILE A 21 20.666 11.046 -7.487 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.147 10.027 -8.524 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.764 12.443 -8.126 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.646 10.155 -8.810 1.00 0.00 C ATOM 0 H ILE A 21 20.893 9.285 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 21 22.624 10.233 -7.796 1.00 0.00 H new ATOM 0 HB ILE A 21 19.968 11.104 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.698 10.156 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.356 9.019 -8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.784 12.742 -8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.104 13.161 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.473 12.416 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.351 9.408 -9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.085 9.997 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.433 11.151 -9.198 1.00 0.00 H new ATOM 328 N LEU A 22 22.506 12.095 -5.060 1.00 0.00 N ATOM 329 CA LEU A 22 23.220 13.117 -4.286 1.00 0.00 C ATOM 330 C LEU A 22 24.721 12.782 -4.139 1.00 0.00 C ATOM 331 O LEU A 22 25.580 13.629 -4.392 1.00 0.00 O ATOM 332 CB LEU A 22 22.501 13.217 -2.929 1.00 0.00 C ATOM 333 CG LEU A 22 23.090 14.231 -1.940 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.891 15.656 -2.443 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.387 14.075 -0.592 1.00 0.00 C ATOM 0 H LEU A 22 21.725 11.679 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 22 23.200 14.080 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.458 13.476 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.509 12.233 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 22 24.159 14.043 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.316 16.358 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.388 15.775 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.826 15.856 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.799 14.792 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.320 14.258 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.540 13.063 -0.217 1.00 0.00 H new ATOM 347 N ARG A 23 25.030 11.517 -3.806 1.00 0.00 N ATOM 348 CA ARG A 23 26.405 10.982 -3.756 1.00 0.00 C ATOM 349 C ARG A 23 27.092 10.983 -5.131 1.00 0.00 C ATOM 350 O ARG A 23 28.196 11.509 -5.257 1.00 0.00 O ATOM 351 CB ARG A 23 26.372 9.564 -3.150 1.00 0.00 C ATOM 352 CG ARG A 23 26.355 9.572 -1.615 1.00 0.00 C ATOM 353 CD ARG A 23 26.157 8.159 -1.034 1.00 0.00 C ATOM 354 NE ARG A 23 24.742 7.900 -0.704 1.00 0.00 N ATOM 355 CZ ARG A 23 24.025 6.808 -0.870 1.00 0.00 C ATOM 356 NH1 ARG A 23 24.399 5.733 -1.498 1.00 0.00 N ATOM 357 NH2 ARG A 23 22.843 6.782 -0.364 1.00 0.00 N ATOM 0 H ARG A 23 24.322 10.825 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 23 27.002 11.639 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.490 9.038 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.242 9.006 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.291 9.989 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.555 10.224 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.505 7.417 -1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.767 8.045 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 23 24.244 8.685 -0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.327 5.685 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 23 23.764 4.938 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 23 22.489 7.591 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 23 22.260 5.952 -0.473 1.00 0.00 H new ATOM 371 N TYR A 24 26.436 10.450 -6.165 1.00 0.00 N ATOM 372 CA TYR A 24 26.980 10.341 -7.530 1.00 0.00 C ATOM 373 C TYR A 24 27.298 11.712 -8.155 1.00 0.00 C ATOM 374 O TYR A 24 28.370 11.904 -8.734 1.00 0.00 O ATOM 375 CB TYR A 24 25.962 9.580 -8.398 1.00 0.00 C ATOM 376 CG TYR A 24 26.264 9.595 -9.889 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.354 8.860 -10.392 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.467 10.359 -10.764 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.657 8.896 -11.768 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.762 10.397 -12.141 1.00 0.00 C ATOM 381 CZ TYR A 24 26.860 9.665 -12.648 1.00 0.00 C ATOM 382 OH TYR A 24 27.137 9.702 -13.981 1.00 0.00 O ATOM 0 H TYR A 24 25.492 10.073 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 24 27.926 9.802 -7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.918 8.545 -8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.973 10.010 -8.237 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.959 8.267 -9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.627 10.917 -10.378 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.498 8.336 -12.151 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.150 10.985 -12.809 1.00 0.00 H new ATOM 0 HH TYR A 24 26.487 10.279 -14.434 1.00 0.00 H new ATOM 392 N THR A 25 26.390 12.682 -7.993 1.00 0.00 N ATOM 393 CA THR A 25 26.581 14.059 -8.488 1.00 0.00 C ATOM 394 C THR A 25 27.529 14.897 -7.622 1.00 0.00 C ATOM 395 O THR A 25 27.842 16.024 -8.004 1.00 0.00 O ATOM 396 CB THR A 25 25.251 14.809 -8.666 1.00 0.00 C ATOM 397 OG1 THR A 25 24.561 14.873 -7.442 1.00 0.00 O ATOM 398 CG2 THR A 25 24.323 14.177 -9.698 1.00 0.00 C ATOM 0 H THR A 25 25.500 12.539 -7.515 1.00 0.00 H new ATOM 0 HA THR A 25 27.049 13.933 -9.464 1.00 0.00 H new ATOM 0 HB THR A 25 25.522 15.802 -9.024 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.191 13.991 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.405 14.761 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.817 14.159 -10.669 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.082 13.158 -9.395 1.00 0.00 H new ATOM 406 N ASN A 26 28.002 14.377 -6.478 1.00 0.00 N ATOM 407 CA ASN A 26 28.899 15.085 -5.553 1.00 0.00 C ATOM 408 C ASN A 26 28.331 16.460 -5.114 1.00 0.00 C ATOM 409 O ASN A 26 29.062 17.441 -4.965 1.00 0.00 O ATOM 410 CB ASN A 26 30.315 15.107 -6.167 1.00 0.00 C ATOM 411 CG ASN A 26 31.375 15.675 -5.235 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.603 15.182 -4.138 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.065 16.714 -5.649 1.00 0.00 N ATOM 0 H ASN A 26 27.767 13.435 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 26 28.974 14.551 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.596 14.092 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.295 15.697 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.793 17.112 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 26 31.873 17.122 -6.564 1.00 0.00 H new ATOM 420 N SER A 27 27.004 16.541 -4.958 1.00 0.00 N ATOM 421 CA SER A 27 26.263 17.799 -4.762 1.00 0.00 C ATOM 422 C SER A 27 25.712 17.969 -3.335 1.00 0.00 C ATOM 423 O SER A 27 25.789 17.065 -2.501 1.00 0.00 O ATOM 424 CB SER A 27 25.147 17.891 -5.815 1.00 0.00 C ATOM 425 OG SER A 27 24.172 16.886 -5.617 1.00 0.00 O ATOM 0 H SER A 27 26.401 15.719 -4.964 1.00 0.00 H new ATOM 0 HA SER A 27 26.964 18.624 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.676 18.873 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.576 17.794 -6.812 1.00 0.00 H new ATOM 0 HG SER A 27 24.327 16.152 -6.247 1.00 0.00 H new ATOM 431 N THR A 28 25.167 19.162 -3.053 1.00 0.00 N ATOM 432 CA THR A 28 24.371 19.441 -1.842 1.00 0.00 C ATOM 433 C THR A 28 22.883 19.521 -2.200 1.00 0.00 C ATOM 434 O THR A 28 22.523 19.921 -3.310 1.00 0.00 O ATOM 435 CB THR A 28 24.887 20.682 -1.089 1.00 0.00 C ATOM 436 OG1 THR A 28 24.130 20.852 0.091 1.00 0.00 O ATOM 437 CG2 THR A 28 24.803 21.991 -1.880 1.00 0.00 C ATOM 0 H THR A 28 25.266 19.972 -3.665 1.00 0.00 H new ATOM 0 HA THR A 28 24.491 18.614 -1.142 1.00 0.00 H new ATOM 0 HB THR A 28 25.942 20.489 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.454 21.639 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.188 22.809 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.397 21.905 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.764 22.191 -2.143 1.00 0.00 H new ATOM 445 N GLU A 29 21.989 19.152 -1.278 1.00 0.00 N ATOM 446 CA GLU A 29 20.557 18.995 -1.584 1.00 0.00 C ATOM 447 C GLU A 29 19.866 20.319 -1.950 1.00 0.00 C ATOM 448 O GLU A 29 18.917 20.311 -2.728 1.00 0.00 O ATOM 449 CB GLU A 29 19.824 18.295 -0.431 1.00 0.00 C ATOM 450 CG GLU A 29 20.356 16.892 -0.139 1.00 0.00 C ATOM 451 CD GLU A 29 19.496 16.175 0.912 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.688 16.406 2.129 1.00 0.00 O ATOM 453 OE2 GLU A 29 18.644 15.340 0.521 1.00 0.00 O ATOM 0 H GLU A 29 22.230 18.955 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 29 20.501 18.365 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.912 18.904 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.763 18.231 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.371 16.308 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.385 16.957 0.214 1.00 0.00 H new ATOM 460 N GLN A 30 20.392 21.464 -1.496 1.00 0.00 N ATOM 461 CA GLN A 30 19.944 22.789 -1.957 1.00 0.00 C ATOM 462 C GLN A 30 20.154 22.964 -3.473 1.00 0.00 C ATOM 463 O GLN A 30 19.262 23.444 -4.175 1.00 0.00 O ATOM 464 CB GLN A 30 20.716 23.888 -1.200 1.00 0.00 C ATOM 465 CG GLN A 30 20.362 24.004 0.293 1.00 0.00 C ATOM 466 CD GLN A 30 19.001 24.658 0.528 1.00 0.00 C ATOM 467 OE1 GLN A 30 18.007 24.003 0.802 1.00 0.00 O ATOM 468 NE2 GLN A 30 18.898 25.968 0.428 1.00 0.00 N ATOM 0 H GLN A 30 21.138 21.501 -0.801 1.00 0.00 H new ATOM 0 HA GLN A 30 18.877 22.872 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.784 23.693 -1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.524 24.847 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 30 20.365 23.010 0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.132 24.585 0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.719 26.528 0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.997 26.422 0.579 1.00 0.00 H new ATOM 477 N GLN A 31 21.303 22.521 -4.001 1.00 0.00 N ATOM 478 CA GLN A 31 21.577 22.558 -5.440 1.00 0.00 C ATOM 479 C GLN A 31 20.822 21.471 -6.206 1.00 0.00 C ATOM 480 O GLN A 31 20.406 21.718 -7.332 1.00 0.00 O ATOM 481 CB GLN A 31 23.094 22.517 -5.710 1.00 0.00 C ATOM 482 CG GLN A 31 23.828 23.778 -5.218 1.00 0.00 C ATOM 483 CD GLN A 31 23.175 25.068 -5.722 1.00 0.00 C ATOM 484 OE1 GLN A 31 22.571 25.822 -4.971 1.00 0.00 O ATOM 485 NE2 GLN A 31 23.219 25.346 -7.009 1.00 0.00 N ATOM 0 H GLN A 31 22.063 22.130 -3.445 1.00 0.00 H new ATOM 0 HA GLN A 31 21.199 23.507 -5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.521 21.641 -5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.264 22.399 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.844 23.784 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 31 24.865 23.745 -5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 31 23.719 24.727 -7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 31 22.754 26.180 -7.367 1.00 0.00 H new ATOM 494 N PHE A 32 20.548 20.309 -5.601 1.00 0.00 N ATOM 495 CA PHE A 32 19.654 19.309 -6.202 1.00 0.00 C ATOM 496 C PHE A 32 18.207 19.843 -6.312 1.00 0.00 C ATOM 497 O PHE A 32 17.581 19.697 -7.362 1.00 0.00 O ATOM 498 CB PHE A 32 19.781 17.988 -5.416 1.00 0.00 C ATOM 499 CG PHE A 32 19.203 16.706 -6.011 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.619 16.639 -7.296 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.285 15.529 -5.242 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.079 15.431 -7.771 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.766 14.317 -5.724 1.00 0.00 C ATOM 504 CZ PHE A 32 18.136 14.270 -6.980 1.00 0.00 C ATOM 0 H PHE A 32 20.932 20.037 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 32 19.952 19.104 -7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.842 17.816 -5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.311 18.139 -4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.587 17.522 -7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.753 15.559 -4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.619 15.395 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.851 13.420 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.699 13.348 -7.335 1.00 0.00 H new ATOM 514 N LEU A 33 17.705 20.566 -5.304 1.00 0.00 N ATOM 515 CA LEU A 33 16.410 21.264 -5.379 1.00 0.00 C ATOM 516 C LEU A 33 16.416 22.348 -6.462 1.00 0.00 C ATOM 517 O LEU A 33 15.512 22.381 -7.293 1.00 0.00 O ATOM 518 CB LEU A 33 16.053 21.768 -3.961 1.00 0.00 C ATOM 519 CG LEU A 33 14.693 22.459 -3.738 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.633 23.890 -4.271 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.522 21.667 -4.326 1.00 0.00 C ATOM 0 H LEU A 33 18.183 20.686 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 33 15.618 20.585 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.104 20.914 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.832 22.466 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 33 14.596 22.495 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.646 24.309 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.389 24.496 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.821 23.887 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.591 22.202 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.664 21.551 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.476 20.684 -3.858 1.00 0.00 H new ATOM 533 N GLU A 34 17.456 23.177 -6.519 1.00 0.00 N ATOM 534 CA GLU A 34 17.593 24.219 -7.547 1.00 0.00 C ATOM 535 C GLU A 34 17.678 23.647 -8.969 1.00 0.00 C ATOM 536 O GLU A 34 17.033 24.164 -9.880 1.00 0.00 O ATOM 537 CB GLU A 34 18.804 25.108 -7.215 1.00 0.00 C ATOM 538 CG GLU A 34 18.939 26.312 -8.154 1.00 0.00 C ATOM 539 CD GLU A 34 20.059 27.264 -7.687 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.242 27.060 -8.059 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.760 28.239 -6.953 1.00 0.00 O ATOM 0 H GLU A 34 18.230 23.149 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 34 16.688 24.827 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.716 25.463 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.713 24.509 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.152 25.965 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.993 26.852 -8.195 1.00 0.00 H new ATOM 548 N ALA A 35 18.407 22.547 -9.162 1.00 0.00 N ATOM 549 CA ALA A 35 18.521 21.869 -10.453 1.00 0.00 C ATOM 550 C ALA A 35 17.192 21.216 -10.874 1.00 0.00 C ATOM 551 O ALA A 35 16.776 21.363 -12.021 1.00 0.00 O ATOM 552 CB ALA A 35 19.667 20.846 -10.371 1.00 0.00 C ATOM 0 H ALA A 35 18.940 22.097 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 35 18.751 22.601 -11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.765 20.332 -11.327 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.599 21.362 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.450 20.119 -9.588 1.00 0.00 H new ATOM 558 N MET A 36 16.477 20.558 -9.957 1.00 0.00 N ATOM 559 CA MET A 36 15.146 19.994 -10.242 1.00 0.00 C ATOM 560 C MET A 36 14.113 21.088 -10.543 1.00 0.00 C ATOM 561 O MET A 36 13.346 20.955 -11.491 1.00 0.00 O ATOM 562 CB MET A 36 14.699 19.103 -9.070 1.00 0.00 C ATOM 563 CG MET A 36 15.489 17.785 -9.015 1.00 0.00 C ATOM 564 SD MET A 36 15.088 16.588 -10.324 1.00 0.00 S ATOM 565 CE MET A 36 13.598 15.831 -9.626 1.00 0.00 C ATOM 0 H MET A 36 16.798 20.400 -9.002 1.00 0.00 H new ATOM 0 HA MET A 36 15.218 19.382 -11.141 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.830 19.644 -8.133 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.635 18.885 -9.166 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.553 18.015 -9.069 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.313 17.314 -8.048 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.020 15.364 -10.423 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.883 15.076 -8.893 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.994 16.597 -9.141 1.00 0.00 H new ATOM 575 N GLU A 37 14.123 22.207 -9.810 1.00 0.00 N ATOM 576 CA GLU A 37 13.194 23.320 -10.056 1.00 0.00 C ATOM 577 C GLU A 37 13.517 24.071 -11.366 1.00 0.00 C ATOM 578 O GLU A 37 12.600 24.464 -12.094 1.00 0.00 O ATOM 579 CB GLU A 37 13.193 24.239 -8.825 1.00 0.00 C ATOM 580 CG GLU A 37 12.090 25.304 -8.887 1.00 0.00 C ATOM 581 CD GLU A 37 11.890 25.972 -7.512 1.00 0.00 C ATOM 582 OE1 GLU A 37 11.151 25.400 -6.672 1.00 0.00 O ATOM 583 OE2 GLU A 37 12.453 27.065 -7.271 1.00 0.00 O ATOM 0 H GLU A 37 14.768 22.368 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 37 12.187 22.927 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.062 23.637 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.163 24.730 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.350 26.060 -9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.156 24.847 -9.213 1.00 0.00 H new ATOM 590 N SER A 38 14.804 24.193 -11.721 1.00 0.00 N ATOM 591 CA SER A 38 15.243 24.813 -12.991 1.00 0.00 C ATOM 592 C SER A 38 14.984 23.943 -14.230 1.00 0.00 C ATOM 593 O SER A 38 14.864 24.470 -15.335 1.00 0.00 O ATOM 594 CB SER A 38 16.743 25.147 -12.946 1.00 0.00 C ATOM 595 OG SER A 38 17.052 26.017 -11.871 1.00 0.00 O ATOM 0 H SER A 38 15.575 23.866 -11.139 1.00 0.00 H new ATOM 0 HA SER A 38 14.642 25.717 -13.086 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.318 24.227 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.042 25.610 -13.887 1.00 0.00 H new ATOM 0 HG SER A 38 17.088 25.505 -11.036 1.00 0.00 H new ATOM 601 N THR A 39 14.892 22.616 -14.057 1.00 0.00 N ATOM 602 CA THR A 39 14.678 21.644 -15.156 1.00 0.00 C ATOM 603 C THR A 39 13.239 21.121 -15.258 1.00 0.00 C ATOM 604 O THR A 39 12.938 20.321 -16.146 1.00 0.00 O ATOM 605 CB THR A 39 15.661 20.468 -15.068 1.00 0.00 C ATOM 606 OG1 THR A 39 15.512 19.797 -13.840 1.00 0.00 O ATOM 607 CG2 THR A 39 17.117 20.906 -15.196 1.00 0.00 C ATOM 0 H THR A 39 14.964 22.175 -13.140 1.00 0.00 H new ATOM 0 HA THR A 39 14.869 22.207 -16.070 1.00 0.00 H new ATOM 0 HB THR A 39 15.423 19.810 -15.904 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.030 20.260 -13.149 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.767 20.034 -15.127 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.267 21.394 -16.159 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.359 21.603 -14.394 1.00 0.00 H new ATOM 615 N GLY A 40 12.338 21.555 -14.366 1.00 0.00 N ATOM 616 CA GLY A 40 10.931 21.127 -14.364 1.00 0.00 C ATOM 617 C GLY A 40 10.719 19.702 -13.839 1.00 0.00 C ATOM 618 O GLY A 40 9.755 19.037 -14.221 1.00 0.00 O ATOM 0 H GLY A 40 12.565 22.215 -13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.351 21.819 -13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.539 21.192 -15.379 1.00 0.00 H new ATOM 622 N GLY A 41 11.631 19.222 -12.984 1.00 0.00 N ATOM 623 CA GLY A 41 11.555 17.895 -12.363 1.00 0.00 C ATOM 624 C GLY A 41 12.093 16.743 -13.215 1.00 0.00 C ATOM 625 O GLY A 41 11.814 15.585 -12.896 1.00 0.00 O ATOM 0 H GLY A 41 12.454 19.753 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.107 17.919 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.514 17.687 -12.115 1.00 0.00 H new ATOM 629 N ARG A 42 12.865 17.016 -14.280 1.00 0.00 N ATOM 630 CA ARG A 42 13.521 15.961 -15.075 1.00 0.00 C ATOM 631 C ARG A 42 14.835 15.545 -14.423 1.00 0.00 C ATOM 632 O ARG A 42 15.856 16.204 -14.598 1.00 0.00 O ATOM 633 CB ARG A 42 13.726 16.408 -16.534 1.00 0.00 C ATOM 634 CG ARG A 42 12.420 16.334 -17.346 1.00 0.00 C ATOM 635 CD ARG A 42 12.725 15.964 -18.800 1.00 0.00 C ATOM 636 NE ARG A 42 11.482 15.831 -19.590 1.00 0.00 N ATOM 637 CZ ARG A 42 11.379 15.592 -20.885 1.00 0.00 C ATOM 638 NH1 ARG A 42 12.421 15.433 -21.654 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.202 15.504 -21.438 1.00 0.00 N ATOM 0 H ARG A 42 13.051 17.962 -14.612 1.00 0.00 H new ATOM 0 HA ARG A 42 12.867 15.090 -15.098 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.107 17.429 -16.551 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.482 15.779 -17.004 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.751 15.594 -16.907 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.904 17.293 -17.307 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.363 16.727 -19.246 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.281 15.027 -18.831 1.00 0.00 H new ATOM 0 HE ARG A 42 10.606 15.936 -19.078 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.360 15.492 -21.259 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.297 15.250 -22.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.362 15.620 -20.871 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.121 15.320 -22.438 1.00 0.00 H new ATOM 653 N VAL A 43 14.826 14.392 -13.753 1.00 0.00 N ATOM 654 CA VAL A 43 15.999 13.841 -13.038 1.00 0.00 C ATOM 655 C VAL A 43 17.218 13.748 -13.958 1.00 0.00 C ATOM 656 O VAL A 43 18.293 14.172 -13.561 1.00 0.00 O ATOM 657 CB VAL A 43 15.672 12.473 -12.395 1.00 0.00 C ATOM 658 CG1 VAL A 43 16.848 11.926 -11.571 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.475 12.581 -11.440 1.00 0.00 C ATOM 0 H VAL A 43 13.998 13.800 -13.685 1.00 0.00 H new ATOM 0 HA VAL A 43 16.249 14.531 -12.232 1.00 0.00 H new ATOM 0 HB VAL A 43 15.452 11.803 -13.226 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.573 10.964 -11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.717 11.798 -12.217 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.090 12.627 -10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.269 11.604 -11.003 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.706 13.292 -10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.600 12.924 -11.991 1.00 0.00 H new ATOM 669 N ARG A 44 17.054 13.316 -15.218 1.00 0.00 N ATOM 670 CA ARG A 44 18.166 13.209 -16.188 1.00 0.00 C ATOM 671 C ARG A 44 18.876 14.545 -16.464 1.00 0.00 C ATOM 672 O ARG A 44 20.102 14.615 -16.423 1.00 0.00 O ATOM 673 CB ARG A 44 17.682 12.485 -17.468 1.00 0.00 C ATOM 674 CG ARG A 44 16.662 13.235 -18.360 1.00 0.00 C ATOM 675 CD ARG A 44 16.150 12.345 -19.500 1.00 0.00 C ATOM 676 NE ARG A 44 17.205 12.040 -20.491 1.00 0.00 N ATOM 677 CZ ARG A 44 17.133 11.159 -21.476 1.00 0.00 C ATOM 678 NH1 ARG A 44 16.063 10.446 -21.696 1.00 0.00 N ATOM 679 NH2 ARG A 44 18.146 10.976 -22.271 1.00 0.00 N ATOM 0 H ARG A 44 16.151 13.031 -15.597 1.00 0.00 H new ATOM 0 HA ARG A 44 18.945 12.597 -15.734 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.556 12.252 -18.076 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.238 11.535 -17.172 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.821 13.568 -17.752 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.128 14.128 -18.776 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.764 11.414 -19.086 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.318 12.841 -20.000 1.00 0.00 H new ATOM 0 HE ARG A 44 18.077 12.562 -20.407 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.244 10.558 -21.099 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.045 9.777 -22.466 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.003 11.513 -22.137 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.084 10.295 -23.028 1.00 0.00 H new ATOM 693 N ILE A 45 18.104 15.619 -16.638 1.00 0.00 N ATOM 694 CA ILE A 45 18.653 16.962 -16.909 1.00 0.00 C ATOM 695 C ILE A 45 19.228 17.556 -15.616 1.00 0.00 C ATOM 696 O ILE A 45 20.281 18.182 -15.647 1.00 0.00 O ATOM 697 CB ILE A 45 17.613 17.899 -17.580 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.928 17.216 -18.791 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.313 19.194 -18.051 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.922 18.093 -19.550 1.00 0.00 C ATOM 0 H ILE A 45 17.085 15.590 -16.597 1.00 0.00 H new ATOM 0 HA ILE A 45 19.464 16.864 -17.631 1.00 0.00 H new ATOM 0 HB ILE A 45 16.845 18.132 -16.842 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.699 16.889 -19.488 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.414 16.321 -18.441 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.583 19.852 -18.522 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.757 19.700 -17.194 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.094 18.945 -18.770 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.497 17.526 -20.378 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.124 18.400 -18.874 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.429 18.977 -19.937 1.00 0.00 H new ATOM 712 N ALA A 46 18.601 17.305 -14.465 1.00 0.00 N ATOM 713 CA ALA A 46 19.101 17.767 -13.170 1.00 0.00 C ATOM 714 C ALA A 46 20.461 17.136 -12.825 1.00 0.00 C ATOM 715 O ALA A 46 21.411 17.857 -12.523 1.00 0.00 O ATOM 716 CB ALA A 46 18.034 17.492 -12.103 1.00 0.00 C ATOM 0 H ALA A 46 17.731 16.775 -14.405 1.00 0.00 H new ATOM 0 HA ALA A 46 19.283 18.841 -13.211 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.394 17.832 -11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.119 18.026 -12.358 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.830 16.422 -12.060 1.00 0.00 H new ATOM 722 N ILE A 47 20.605 15.808 -12.951 1.00 0.00 N ATOM 723 CA ILE A 47 21.902 15.144 -12.714 1.00 0.00 C ATOM 724 C ILE A 47 22.939 15.547 -13.768 1.00 0.00 C ATOM 725 O ILE A 47 24.088 15.794 -13.405 1.00 0.00 O ATOM 726 CB ILE A 47 21.782 13.611 -12.532 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.431 12.855 -13.829 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.796 13.310 -11.392 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.303 11.336 -13.668 1.00 0.00 C ATOM 0 H ILE A 47 19.849 15.175 -13.213 1.00 0.00 H new ATOM 0 HA ILE A 47 22.269 15.508 -11.754 1.00 0.00 H new ATOM 0 HB ILE A 47 22.768 13.233 -12.262 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.491 13.246 -14.219 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.198 13.065 -14.575 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.709 12.231 -11.261 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.160 13.759 -10.468 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.819 13.726 -11.637 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.055 10.888 -14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.248 10.927 -13.310 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.515 11.111 -12.949 1.00 0.00 H new ATOM 741 N ALA A 48 22.537 15.730 -15.036 1.00 0.00 N ATOM 742 CA ALA A 48 23.415 16.289 -16.067 1.00 0.00 C ATOM 743 C ALA A 48 23.947 17.686 -15.691 1.00 0.00 C ATOM 744 O ALA A 48 25.158 17.901 -15.694 1.00 0.00 O ATOM 745 CB ALA A 48 22.646 16.315 -17.394 1.00 0.00 C ATOM 0 H ALA A 48 21.602 15.496 -15.370 1.00 0.00 H new ATOM 0 HA ALA A 48 24.297 15.656 -16.163 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.283 16.728 -18.176 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.352 15.301 -17.664 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.756 16.934 -17.286 1.00 0.00 H new ATOM 751 N LYS A 49 23.076 18.617 -15.276 1.00 0.00 N ATOM 752 CA LYS A 49 23.481 19.977 -14.863 1.00 0.00 C ATOM 753 C LYS A 49 24.393 19.966 -13.633 1.00 0.00 C ATOM 754 O LYS A 49 25.378 20.702 -13.603 1.00 0.00 O ATOM 755 CB LYS A 49 22.228 20.843 -14.624 1.00 0.00 C ATOM 756 CG LYS A 49 21.493 21.234 -15.918 1.00 0.00 C ATOM 757 CD LYS A 49 22.236 22.310 -16.729 1.00 0.00 C ATOM 758 CE LYS A 49 21.451 22.644 -18.005 1.00 0.00 C ATOM 759 NZ LYS A 49 22.111 23.718 -18.800 1.00 0.00 N ATOM 0 H LYS A 49 22.071 18.453 -15.216 1.00 0.00 H new ATOM 0 HA LYS A 49 24.067 20.413 -15.672 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.540 20.301 -13.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.519 21.750 -14.093 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.361 20.347 -16.537 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.497 21.599 -15.668 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.363 23.209 -16.125 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.234 21.957 -16.989 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.354 21.747 -18.617 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.442 22.958 -17.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.549 23.913 -19.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 22.180 24.582 -18.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 23.065 23.409 -19.077 1.00 0.00 H new ATOM 773 N LEU A 50 24.121 19.097 -12.655 1.00 0.00 N ATOM 774 CA LEU A 50 24.962 18.953 -11.455 1.00 0.00 C ATOM 775 C LEU A 50 26.357 18.377 -11.768 1.00 0.00 C ATOM 776 O LEU A 50 27.341 18.842 -11.191 1.00 0.00 O ATOM 777 CB LEU A 50 24.237 18.079 -10.412 1.00 0.00 C ATOM 778 CG LEU A 50 22.979 18.701 -9.779 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.224 17.628 -8.991 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.316 19.847 -8.826 1.00 0.00 C ATOM 0 H LEU A 50 23.314 18.473 -12.669 1.00 0.00 H new ATOM 0 HA LEU A 50 25.124 19.952 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.956 17.138 -10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.941 17.837 -9.615 1.00 0.00 H new ATOM 0 HG LEU A 50 22.371 19.098 -10.592 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.333 18.066 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 50 21.932 16.821 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.868 17.232 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.396 20.253 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.951 19.476 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.842 20.631 -9.371 1.00 0.00 H new ATOM 792 N LEU A 51 26.471 17.395 -12.673 1.00 0.00 N ATOM 793 CA LEU A 51 27.761 16.758 -12.986 1.00 0.00 C ATOM 794 C LEU A 51 28.583 17.542 -14.022 1.00 0.00 C ATOM 795 O LEU A 51 29.776 17.745 -13.805 1.00 0.00 O ATOM 796 CB LEU A 51 27.568 15.249 -13.276 1.00 0.00 C ATOM 797 CG LEU A 51 27.008 14.849 -14.659 1.00 0.00 C ATOM 798 CD1 LEU A 51 28.108 14.680 -15.713 1.00 0.00 C ATOM 799 CD2 LEU A 51 26.290 13.500 -14.567 1.00 0.00 C ATOM 0 H LEU A 51 25.683 17.022 -13.204 1.00 0.00 H new ATOM 0 HA LEU A 51 28.397 16.801 -12.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 28.533 14.757 -13.150 1.00 0.00 H new ATOM 0 HB3 LEU A 51 26.902 14.844 -12.514 1.00 0.00 H new ATOM 0 HG LEU A 51 26.336 15.655 -14.954 1.00 0.00 H new ATOM 0 HD11 LEU A 51 27.659 14.399 -16.666 1.00 0.00 H new ATOM 0 HD12 LEU A 51 28.648 15.620 -15.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.801 13.901 -15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.899 13.228 -15.548 1.00 0.00 H new ATOM 0 HD22 LEU A 51 26.992 12.736 -14.232 1.00 0.00 H new ATOM 0 HD23 LEU A 51 25.467 13.574 -13.856 1.00 0.00 H new ATOM 811 N SER A 52 27.967 18.089 -15.078 1.00 0.00 N ATOM 812 CA SER A 52 28.669 18.857 -16.132 1.00 0.00 C ATOM 813 C SER A 52 29.270 20.176 -15.622 1.00 0.00 C ATOM 814 O SER A 52 30.241 20.672 -16.193 1.00 0.00 O ATOM 815 CB SER A 52 27.734 19.131 -17.319 1.00 0.00 C ATOM 816 OG SER A 52 27.365 17.918 -17.961 1.00 0.00 O ATOM 0 H SER A 52 26.961 18.015 -15.232 1.00 0.00 H new ATOM 0 HA SER A 52 29.501 18.233 -16.458 1.00 0.00 H new ATOM 0 HB2 SER A 52 26.841 19.650 -16.972 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.229 19.790 -18.033 1.00 0.00 H new ATOM 0 HG SER A 52 26.587 17.531 -17.507 1.00 0.00 H new ATOM 822 N LYS A 53 28.749 20.718 -14.509 1.00 0.00 N ATOM 823 CA LYS A 53 29.332 21.852 -13.769 1.00 0.00 C ATOM 824 C LYS A 53 30.710 21.523 -13.157 1.00 0.00 C ATOM 825 O LYS A 53 31.519 22.426 -12.947 1.00 0.00 O ATOM 826 CB LYS A 53 28.302 22.262 -12.692 1.00 0.00 C ATOM 827 CG LYS A 53 28.657 23.493 -11.841 1.00 0.00 C ATOM 828 CD LYS A 53 28.901 24.784 -12.642 1.00 0.00 C ATOM 829 CE LYS A 53 27.647 25.259 -13.393 1.00 0.00 C ATOM 830 NZ LYS A 53 27.881 26.559 -14.086 1.00 0.00 N ATOM 0 H LYS A 53 27.888 20.371 -14.087 1.00 0.00 H new ATOM 0 HA LYS A 53 29.527 22.679 -14.451 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.349 22.451 -13.185 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.152 21.415 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.850 23.670 -11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.551 23.269 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.234 25.570 -11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.707 24.617 -13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.352 24.505 -14.123 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.820 25.364 -12.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.014 26.849 -14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.138 27.284 -13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.654 26.452 -14.774 1.00 0.00 H new ATOM 844 N GLN A 54 30.981 20.241 -12.896 1.00 0.00 N ATOM 845 CA GLN A 54 32.199 19.745 -12.236 1.00 0.00 C ATOM 846 C GLN A 54 33.163 19.017 -13.189 1.00 0.00 C ATOM 847 O GLN A 54 34.377 19.192 -13.082 1.00 0.00 O ATOM 848 CB GLN A 54 31.783 18.819 -11.082 1.00 0.00 C ATOM 849 CG GLN A 54 31.063 19.556 -9.941 1.00 0.00 C ATOM 850 CD GLN A 54 30.472 18.564 -8.945 1.00 0.00 C ATOM 851 OE1 GLN A 54 31.132 18.082 -8.033 1.00 0.00 O ATOM 852 NE2 GLN A 54 29.223 18.192 -9.113 1.00 0.00 N ATOM 0 H GLN A 54 30.337 19.491 -13.146 1.00 0.00 H new ATOM 0 HA GLN A 54 32.751 20.609 -11.865 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.130 18.037 -11.470 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.669 18.325 -10.684 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.763 20.218 -9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.271 20.184 -10.350 1.00 0.00 H new ATOM 0 HE21 GLN A 54 28.670 18.591 -9.871 1.00 0.00 H new ATOM 0 HE22 GLN A 54 28.807 17.504 -8.485 1.00 0.00 H new ATOM 861 N THR A 55 32.650 18.183 -14.100 1.00 0.00 N ATOM 862 CA THR A 55 33.449 17.278 -14.948 1.00 0.00 C ATOM 863 C THR A 55 32.696 16.843 -16.215 1.00 0.00 C ATOM 864 O THR A 55 31.467 16.753 -16.220 1.00 0.00 O ATOM 865 CB THR A 55 33.900 16.053 -14.123 1.00 0.00 C ATOM 866 OG1 THR A 55 34.661 15.169 -14.922 1.00 0.00 O ATOM 867 CG2 THR A 55 32.741 15.269 -13.502 1.00 0.00 C ATOM 0 H THR A 55 31.648 18.113 -14.276 1.00 0.00 H new ATOM 0 HA THR A 55 34.327 17.828 -15.286 1.00 0.00 H new ATOM 0 HB THR A 55 34.500 16.457 -13.308 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.940 14.399 -14.383 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.135 14.423 -12.938 1.00 0.00 H new ATOM 0 HG22 THR A 55 32.178 15.920 -12.834 1.00 0.00 H new ATOM 0 HG23 THR A 55 32.084 14.904 -14.292 1.00 0.00 H new ATOM 875 N SER A 56 33.424 16.539 -17.294 1.00 0.00 N ATOM 876 CA SER A 56 32.883 16.091 -18.594 1.00 0.00 C ATOM 877 C SER A 56 32.477 14.601 -18.586 1.00 0.00 C ATOM 878 O SER A 56 32.919 13.808 -19.422 1.00 0.00 O ATOM 879 CB SER A 56 33.880 16.413 -19.721 1.00 0.00 C ATOM 880 OG SER A 56 34.195 17.802 -19.736 1.00 0.00 O ATOM 0 H SER A 56 34.442 16.598 -17.293 1.00 0.00 H new ATOM 0 HA SER A 56 31.963 16.645 -18.781 1.00 0.00 H new ATOM 0 HB2 SER A 56 34.791 15.830 -19.584 1.00 0.00 H new ATOM 0 HB3 SER A 56 33.456 16.121 -20.682 1.00 0.00 H new ATOM 0 HG SER A 56 34.831 17.985 -20.458 1.00 0.00 H new ATOM 886 N GLY A 57 31.659 14.205 -17.604 1.00 0.00 N ATOM 887 CA GLY A 57 31.192 12.826 -17.398 1.00 0.00 C ATOM 888 C GLY A 57 30.216 12.316 -18.471 1.00 0.00 C ATOM 889 O GLY A 57 29.686 13.080 -19.285 1.00 0.00 O ATOM 0 H GLY A 57 31.292 14.854 -16.908 1.00 0.00 H new ATOM 0 HA2 GLY A 57 32.057 12.164 -17.368 1.00 0.00 H new ATOM 0 HA3 GLY A 57 30.707 12.762 -16.424 1.00 0.00 H new ATOM 893 N GLY A 58 29.974 10.999 -18.468 1.00 0.00 N ATOM 894 CA GLY A 58 29.086 10.316 -19.424 1.00 0.00 C ATOM 895 C GLY A 58 29.693 10.067 -20.815 1.00 0.00 C ATOM 896 O GLY A 58 28.968 9.707 -21.748 1.00 0.00 O ATOM 0 H GLY A 58 30.396 10.365 -17.790 1.00 0.00 H new ATOM 0 HA2 GLY A 58 28.787 9.358 -18.998 1.00 0.00 H new ATOM 0 HA3 GLY A 58 28.179 10.909 -19.541 1.00 0.00 H new ATOM 900 N SER A 59 31.007 10.257 -20.974 1.00 0.00 N ATOM 901 CA SER A 59 31.753 10.028 -22.221 1.00 0.00 C ATOM 902 C SER A 59 32.040 8.537 -22.491 1.00 0.00 C ATOM 903 O SER A 59 31.957 7.689 -21.594 1.00 0.00 O ATOM 904 CB SER A 59 33.053 10.846 -22.201 1.00 0.00 C ATOM 905 OG SER A 59 33.874 10.487 -21.095 1.00 0.00 O ATOM 0 H SER A 59 31.603 10.585 -20.214 1.00 0.00 H new ATOM 0 HA SER A 59 31.122 10.363 -23.044 1.00 0.00 H new ATOM 0 HB2 SER A 59 33.600 10.685 -23.130 1.00 0.00 H new ATOM 0 HB3 SER A 59 32.816 11.909 -22.150 1.00 0.00 H new ATOM 0 HG SER A 59 34.695 11.022 -21.109 1.00 0.00 H new ATOM 911 N GLY A 60 32.394 8.211 -23.740 1.00 0.00 N ATOM 912 CA GLY A 60 32.699 6.846 -24.191 1.00 0.00 C ATOM 913 C GLY A 60 31.472 5.934 -24.346 1.00 0.00 C ATOM 914 O GLY A 60 30.328 6.401 -24.396 1.00 0.00 O ATOM 0 H GLY A 60 32.479 8.905 -24.483 1.00 0.00 H new ATOM 0 HA2 GLY A 60 33.217 6.901 -25.148 1.00 0.00 H new ATOM 0 HA3 GLY A 60 33.388 6.388 -23.481 1.00 0.00 H new ATOM 918 N GLY A 61 31.716 4.623 -24.461 1.00 0.00 N ATOM 919 CA GLY A 61 30.681 3.593 -24.628 1.00 0.00 C ATOM 920 C GLY A 61 29.850 3.313 -23.364 1.00 0.00 C ATOM 921 O GLY A 61 30.214 3.704 -22.249 1.00 0.00 O ATOM 0 H GLY A 61 32.661 4.239 -24.440 1.00 0.00 H new ATOM 0 HA2 GLY A 61 30.008 3.898 -25.429 1.00 0.00 H new ATOM 0 HA3 GLY A 61 31.157 2.666 -24.947 1.00 0.00 H new ATOM 925 N SER A 62 28.728 2.610 -23.542 1.00 0.00 N ATOM 926 CA SER A 62 27.795 2.229 -22.468 1.00 0.00 C ATOM 927 C SER A 62 28.400 1.230 -21.465 1.00 0.00 C ATOM 928 O SER A 62 29.271 0.425 -21.816 1.00 0.00 O ATOM 929 CB SER A 62 26.514 1.628 -23.069 1.00 0.00 C ATOM 930 OG SER A 62 25.898 2.545 -23.966 1.00 0.00 O ATOM 0 H SER A 62 28.432 2.279 -24.460 1.00 0.00 H new ATOM 0 HA SER A 62 27.569 3.143 -21.919 1.00 0.00 H new ATOM 0 HB2 SER A 62 26.753 0.703 -23.594 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.818 1.371 -22.270 1.00 0.00 H new ATOM 0 HG SER A 62 25.086 2.143 -24.339 1.00 0.00 H new ATOM 936 N LYS A 63 27.907 1.248 -20.216 1.00 0.00 N ATOM 937 CA LYS A 63 28.335 0.333 -19.139 1.00 0.00 C ATOM 938 C LYS A 63 27.988 -1.137 -19.434 1.00 0.00 C ATOM 939 O LYS A 63 26.962 -1.431 -20.054 1.00 0.00 O ATOM 940 CB LYS A 63 27.788 0.823 -17.778 1.00 0.00 C ATOM 941 CG LYS A 63 26.259 0.710 -17.608 1.00 0.00 C ATOM 942 CD LYS A 63 25.836 -0.555 -16.834 1.00 0.00 C ATOM 943 CE LYS A 63 24.309 -0.712 -16.786 1.00 0.00 C ATOM 944 NZ LYS A 63 23.764 -1.334 -18.027 1.00 0.00 N ATOM 0 H LYS A 63 27.188 1.908 -19.919 1.00 0.00 H new ATOM 0 HA LYS A 63 29.424 0.356 -19.088 1.00 0.00 H new ATOM 0 HB2 LYS A 63 28.269 0.252 -16.984 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.077 1.865 -17.642 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.890 1.592 -17.084 1.00 0.00 H new ATOM 0 HG3 LYS A 63 25.788 0.703 -18.591 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.277 -1.433 -17.305 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.228 -0.507 -15.818 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.036 -1.323 -15.926 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.850 0.266 -16.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 22.730 -1.221 -18.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.180 -0.869 -18.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.002 -2.346 -18.041 1.00 0.00 H new ATOM 958 N LEU A 64 28.827 -2.058 -18.954 1.00 0.00 N ATOM 959 CA LEU A 64 28.662 -3.508 -19.136 1.00 0.00 C ATOM 960 C LEU A 64 27.784 -4.133 -18.035 1.00 0.00 C ATOM 961 O LEU A 64 27.796 -3.686 -16.885 1.00 0.00 O ATOM 962 CB LEU A 64 30.044 -4.191 -19.213 1.00 0.00 C ATOM 963 CG LEU A 64 30.967 -3.695 -20.345 1.00 0.00 C ATOM 964 CD1 LEU A 64 32.305 -4.435 -20.281 1.00 0.00 C ATOM 965 CD2 LEU A 64 30.368 -3.917 -21.736 1.00 0.00 C ATOM 0 H LEU A 64 29.659 -1.815 -18.416 1.00 0.00 H new ATOM 0 HA LEU A 64 28.139 -3.673 -20.078 1.00 0.00 H new ATOM 0 HB2 LEU A 64 30.555 -4.046 -18.261 1.00 0.00 H new ATOM 0 HB3 LEU A 64 29.894 -5.264 -19.334 1.00 0.00 H new ATOM 0 HG LEU A 64 31.097 -2.623 -20.195 1.00 0.00 H new ATOM 0 HD11 LEU A 64 32.955 -4.082 -21.082 1.00 0.00 H new ATOM 0 HD12 LEU A 64 32.780 -4.245 -19.318 1.00 0.00 H new ATOM 0 HD13 LEU A 64 32.135 -5.505 -20.397 1.00 0.00 H new ATOM 0 HD21 LEU A 64 31.060 -3.549 -22.493 1.00 0.00 H new ATOM 0 HD22 LEU A 64 30.193 -4.982 -21.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 29.424 -3.378 -21.816 1.00 0.00 H new ATOM 977 N GLY A 65 27.044 -5.191 -18.385 1.00 0.00 N ATOM 978 CA GLY A 65 26.127 -5.899 -17.480 1.00 0.00 C ATOM 979 C GLY A 65 24.839 -5.130 -17.144 1.00 0.00 C ATOM 980 O GLY A 65 24.547 -4.068 -17.707 1.00 0.00 O ATOM 0 H GLY A 65 27.065 -5.588 -19.324 1.00 0.00 H new ATOM 0 HA2 GLY A 65 25.857 -6.854 -17.931 1.00 0.00 H new ATOM 0 HA3 GLY A 65 26.654 -6.122 -16.552 1.00 0.00 H new ATOM 984 N GLY A 66 24.051 -5.684 -16.218 1.00 0.00 N ATOM 985 CA GLY A 66 22.762 -5.141 -15.766 1.00 0.00 C ATOM 986 C GLY A 66 22.074 -6.020 -14.709 1.00 0.00 C ATOM 987 O GLY A 66 22.644 -7.008 -14.237 1.00 0.00 O ATOM 0 H GLY A 66 24.299 -6.553 -15.745 1.00 0.00 H new ATOM 0 HA2 GLY A 66 22.919 -4.144 -15.354 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.100 -5.031 -16.625 1.00 0.00 H new ATOM 991 N SER A 67 20.844 -5.654 -14.331 1.00 0.00 N ATOM 992 CA SER A 67 20.051 -6.358 -13.306 1.00 0.00 C ATOM 993 C SER A 67 19.668 -7.787 -13.724 1.00 0.00 C ATOM 994 O SER A 67 19.326 -8.045 -14.883 1.00 0.00 O ATOM 995 CB SER A 67 18.777 -5.571 -12.975 1.00 0.00 C ATOM 996 OG SER A 67 19.105 -4.262 -12.524 1.00 0.00 O ATOM 0 H SER A 67 20.361 -4.850 -14.732 1.00 0.00 H new ATOM 0 HA SER A 67 20.688 -6.430 -12.424 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.140 -5.509 -13.858 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.208 -6.095 -12.207 1.00 0.00 H new ATOM 0 HG SER A 67 18.282 -3.771 -12.318 1.00 0.00 H new ATOM 1002 N GLY A 68 19.706 -8.725 -12.770 1.00 0.00 N ATOM 1003 CA GLY A 68 19.365 -10.138 -12.988 1.00 0.00 C ATOM 1004 C GLY A 68 17.859 -10.411 -13.112 1.00 0.00 C ATOM 1005 O GLY A 68 17.026 -9.654 -12.606 1.00 0.00 O ATOM 0 H GLY A 68 19.979 -8.521 -11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.861 -10.484 -13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.763 -10.728 -12.162 1.00 0.00 H new ATOM 1009 N GLY A 69 17.506 -11.528 -13.756 1.00 0.00 N ATOM 1010 CA GLY A 69 16.116 -11.966 -13.968 1.00 0.00 C ATOM 1011 C GLY A 69 15.415 -12.541 -12.724 1.00 0.00 C ATOM 1012 O GLY A 69 14.200 -12.748 -12.744 1.00 0.00 O ATOM 0 H GLY A 69 18.191 -12.170 -14.155 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.536 -11.118 -14.333 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.105 -12.722 -14.754 1.00 0.00 H new ATOM 1016 N SER A 70 16.156 -12.780 -11.635 1.00 0.00 N ATOM 1017 CA SER A 70 15.665 -13.391 -10.385 1.00 0.00 C ATOM 1018 C SER A 70 14.862 -12.439 -9.475 1.00 0.00 C ATOM 1019 O SER A 70 14.345 -12.872 -8.441 1.00 0.00 O ATOM 1020 CB SER A 70 16.847 -13.976 -9.593 1.00 0.00 C ATOM 1021 OG SER A 70 17.661 -14.818 -10.404 1.00 0.00 O ATOM 0 H SER A 70 17.148 -12.547 -11.594 1.00 0.00 H new ATOM 0 HA SER A 70 14.969 -14.171 -10.694 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.452 -13.164 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.469 -14.544 -8.743 1.00 0.00 H new ATOM 0 HG SER A 70 18.402 -15.170 -9.869 1.00 0.00 H new ATOM 1027 N ARG A 71 14.758 -11.148 -9.829 1.00 0.00 N ATOM 1028 CA ARG A 71 14.038 -10.118 -9.054 1.00 0.00 C ATOM 1029 C ARG A 71 12.515 -10.344 -8.988 1.00 0.00 C ATOM 1030 O ARG A 71 11.923 -10.994 -9.852 1.00 0.00 O ATOM 1031 CB ARG A 71 14.292 -8.723 -9.653 1.00 0.00 C ATOM 1032 CG ARG A 71 15.713 -8.169 -9.459 1.00 0.00 C ATOM 1033 CD ARG A 71 15.834 -6.719 -9.971 1.00 0.00 C ATOM 1034 NE ARG A 71 15.045 -5.769 -9.151 1.00 0.00 N ATOM 1035 CZ ARG A 71 13.792 -5.376 -9.329 1.00 0.00 C ATOM 1036 NH1 ARG A 71 13.094 -5.688 -10.380 1.00 0.00 N ATOM 1037 NH2 ARG A 71 13.178 -4.676 -8.424 1.00 0.00 N ATOM 0 H ARG A 71 15.181 -10.780 -10.681 1.00 0.00 H new ATOM 0 HA ARG A 71 14.429 -10.190 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.078 -8.761 -10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.584 -8.022 -9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.977 -8.205 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.426 -8.802 -9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.882 -6.419 -9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 71 15.496 -6.671 -11.006 1.00 0.00 H new ATOM 0 HE ARG A 71 15.528 -5.367 -8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.508 -6.261 -11.115 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.132 -5.360 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.660 -4.421 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.213 -4.381 -8.575 1.00 0.00 H new ATOM 1051 N LYS A 72 11.889 -9.712 -7.986 1.00 0.00 N ATOM 1052 CA LYS A 72 10.432 -9.550 -7.803 1.00 0.00 C ATOM 1053 C LYS A 72 10.095 -8.071 -7.546 1.00 0.00 C ATOM 1054 O LYS A 72 10.936 -7.315 -7.057 1.00 0.00 O ATOM 1055 CB LYS A 72 9.939 -10.435 -6.639 1.00 0.00 C ATOM 1056 CG LYS A 72 10.128 -11.950 -6.839 1.00 0.00 C ATOM 1057 CD LYS A 72 9.267 -12.525 -7.973 1.00 0.00 C ATOM 1058 CE LYS A 72 9.479 -14.044 -8.067 1.00 0.00 C ATOM 1059 NZ LYS A 72 8.654 -14.653 -9.149 1.00 0.00 N ATOM 0 H LYS A 72 12.416 -9.271 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 72 9.922 -9.867 -8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.463 -10.137 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.880 -10.236 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.178 -12.153 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.884 -12.465 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.215 -12.306 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.532 -12.052 -8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.533 -14.253 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.225 -14.506 -7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.825 -15.678 -9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.647 -14.476 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.914 -14.231 -10.063 1.00 0.00 H new ATOM 1073 N ASP A 73 8.863 -7.667 -7.857 1.00 0.00 N ATOM 1074 CA ASP A 73 8.326 -6.316 -7.616 1.00 0.00 C ATOM 1075 C ASP A 73 6.886 -6.369 -7.064 1.00 0.00 C ATOM 1076 O ASP A 73 6.153 -7.336 -7.297 1.00 0.00 O ATOM 1077 CB ASP A 73 8.376 -5.481 -8.906 1.00 0.00 C ATOM 1078 CG ASP A 73 9.812 -5.121 -9.324 1.00 0.00 C ATOM 1079 OD1 ASP A 73 10.447 -4.260 -8.670 1.00 0.00 O ATOM 1080 OD2 ASP A 73 10.327 -5.677 -10.322 1.00 0.00 O ATOM 0 H ASP A 73 8.184 -8.287 -8.298 1.00 0.00 H new ATOM 0 HA ASP A 73 8.953 -5.839 -6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.895 -6.036 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.803 -4.565 -8.764 1.00 0.00 H new ATOM 1085 N LEU A 74 6.481 -5.322 -6.334 1.00 0.00 N ATOM 1086 CA LEU A 74 5.132 -5.175 -5.769 1.00 0.00 C ATOM 1087 C LEU A 74 4.182 -4.441 -6.737 1.00 0.00 C ATOM 1088 O LEU A 74 4.606 -3.871 -7.743 1.00 0.00 O ATOM 1089 CB LEU A 74 5.233 -4.450 -4.407 1.00 0.00 C ATOM 1090 CG LEU A 74 6.063 -5.174 -3.326 1.00 0.00 C ATOM 1091 CD1 LEU A 74 6.109 -4.311 -2.065 1.00 0.00 C ATOM 1092 CD2 LEU A 74 5.481 -6.538 -2.951 1.00 0.00 C ATOM 0 H LEU A 74 7.094 -4.537 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 74 4.702 -6.165 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.666 -3.464 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.225 -4.295 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 74 7.059 -5.333 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.694 -4.818 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.570 -3.351 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.095 -4.147 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.105 -7.002 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.470 -6.408 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.453 -7.177 -3.834 1.00 0.00 H new ATOM 1104 N SER A 75 2.890 -4.410 -6.406 1.00 0.00 N ATOM 1105 CA SER A 75 1.853 -3.630 -7.102 1.00 0.00 C ATOM 1106 C SER A 75 0.856 -3.014 -6.109 1.00 0.00 C ATOM 1107 O SER A 75 0.828 -3.388 -4.934 1.00 0.00 O ATOM 1108 CB SER A 75 1.137 -4.496 -8.148 1.00 0.00 C ATOM 1109 OG SER A 75 0.435 -5.567 -7.531 1.00 0.00 O ATOM 0 H SER A 75 2.519 -4.944 -5.620 1.00 0.00 H new ATOM 0 HA SER A 75 2.342 -2.806 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.441 -3.881 -8.719 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.865 -4.894 -8.855 1.00 0.00 H new ATOM 0 HG SER A 75 -0.014 -6.103 -8.218 1.00 0.00 H new ATOM 1115 N VAL A 76 0.072 -2.032 -6.573 1.00 0.00 N ATOM 1116 CA VAL A 76 -0.982 -1.255 -5.874 1.00 0.00 C ATOM 1117 C VAL A 76 -0.608 -0.544 -4.556 1.00 0.00 C ATOM 1118 O VAL A 76 -1.434 0.191 -4.012 1.00 0.00 O ATOM 1119 CB VAL A 76 -2.320 -2.025 -5.762 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -2.811 -2.507 -7.131 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -2.280 -3.222 -4.805 1.00 0.00 C ATOM 0 H VAL A 76 0.162 -1.725 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.114 -0.415 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.015 -1.296 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.753 -3.043 -7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.962 -1.649 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.068 -3.172 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.257 -3.705 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.529 -3.935 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.025 -2.878 -3.803 1.00 0.00 H new ATOM 1131 N LYS A 77 0.631 -0.688 -4.064 1.00 0.00 N ATOM 1132 CA LYS A 77 1.172 0.071 -2.916 1.00 0.00 C ATOM 1133 C LYS A 77 1.655 1.479 -3.302 1.00 0.00 C ATOM 1134 O LYS A 77 1.754 2.354 -2.440 1.00 0.00 O ATOM 1135 CB LYS A 77 2.294 -0.731 -2.223 1.00 0.00 C ATOM 1136 CG LYS A 77 1.881 -2.110 -1.673 1.00 0.00 C ATOM 1137 CD LYS A 77 0.742 -2.049 -0.642 1.00 0.00 C ATOM 1138 CE LYS A 77 0.489 -3.448 -0.060 1.00 0.00 C ATOM 1139 NZ LYS A 77 -0.605 -3.436 0.952 1.00 0.00 N ATOM 0 H LYS A 77 1.302 -1.347 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 77 0.351 0.214 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.108 -0.872 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.688 -0.134 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.573 -2.745 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.749 -2.583 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.000 -1.354 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.166 -1.671 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.232 -4.136 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.404 -3.822 0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.746 -4.398 1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.348 -2.799 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.485 -3.103 0.508 1.00 0.00 H new ATOM 1153 N GLY A 78 1.943 1.704 -4.589 1.00 0.00 N ATOM 1154 CA GLY A 78 2.259 3.022 -5.161 1.00 0.00 C ATOM 1155 C GLY A 78 1.036 3.942 -5.304 1.00 0.00 C ATOM 1156 O GLY A 78 -0.090 3.556 -4.986 1.00 0.00 O ATOM 0 H GLY A 78 1.964 0.956 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.001 3.513 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.715 2.883 -6.141 1.00 0.00 H new ATOM 1160 N MET A 79 1.265 5.166 -5.806 1.00 0.00 N ATOM 1161 CA MET A 79 0.231 6.218 -5.921 1.00 0.00 C ATOM 1162 C MET A 79 0.042 6.787 -7.347 1.00 0.00 C ATOM 1163 O MET A 79 -0.907 7.532 -7.588 1.00 0.00 O ATOM 1164 CB MET A 79 0.581 7.316 -4.892 1.00 0.00 C ATOM 1165 CG MET A 79 -0.554 8.301 -4.571 1.00 0.00 C ATOM 1166 SD MET A 79 -2.056 7.548 -3.876 1.00 0.00 S ATOM 1167 CE MET A 79 -3.075 9.035 -3.681 1.00 0.00 C ATOM 0 H MET A 79 2.180 5.460 -6.148 1.00 0.00 H new ATOM 0 HA MET A 79 -0.741 5.773 -5.706 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.896 6.836 -3.966 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.436 7.881 -5.265 1.00 0.00 H new ATOM 0 HG2 MET A 79 -0.180 9.045 -3.867 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.822 8.832 -5.484 1.00 0.00 H new ATOM 0 HE1 MET A 79 -4.043 8.760 -3.262 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.575 9.734 -3.010 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.221 9.506 -4.653 1.00 0.00 H new ATOM 1177 N LEU A 80 0.926 6.455 -8.303 1.00 0.00 N ATOM 1178 CA LEU A 80 0.988 7.085 -9.635 1.00 0.00 C ATOM 1179 C LEU A 80 1.049 6.059 -10.777 1.00 0.00 C ATOM 1180 O LEU A 80 1.745 5.050 -10.676 1.00 0.00 O ATOM 1181 CB LEU A 80 2.223 8.015 -9.709 1.00 0.00 C ATOM 1182 CG LEU A 80 2.224 9.228 -8.757 1.00 0.00 C ATOM 1183 CD1 LEU A 80 3.560 9.965 -8.886 1.00 0.00 C ATOM 1184 CD2 LEU A 80 1.106 10.222 -9.074 1.00 0.00 C ATOM 0 H LEU A 80 1.630 5.729 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 80 0.069 7.656 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.112 7.419 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.314 8.382 -10.731 1.00 0.00 H new ATOM 0 HG LEU A 80 2.068 8.846 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.568 10.824 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.375 9.291 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.690 10.305 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.152 11.057 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.228 10.594 -10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.140 9.725 -8.983 1.00 0.00 H new ATOM 1196 N TYR A 81 0.379 6.364 -11.892 1.00 0.00 N ATOM 1197 CA TYR A 81 0.503 5.631 -13.163 1.00 0.00 C ATOM 1198 C TYR A 81 1.586 6.224 -14.095 1.00 0.00 C ATOM 1199 O TYR A 81 2.039 5.558 -15.029 1.00 0.00 O ATOM 1200 CB TYR A 81 -0.868 5.574 -13.854 1.00 0.00 C ATOM 1201 CG TYR A 81 -1.486 6.930 -14.152 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -1.113 7.641 -15.312 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -2.424 7.489 -13.259 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -1.665 8.909 -15.574 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -2.977 8.759 -13.518 1.00 0.00 C ATOM 1206 CZ TYR A 81 -2.596 9.475 -14.677 1.00 0.00 C ATOM 1207 OH TYR A 81 -3.126 10.701 -14.942 1.00 0.00 O ATOM 0 H TYR A 81 -0.279 7.142 -11.941 1.00 0.00 H new ATOM 0 HA TYR A 81 0.835 4.618 -12.936 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.766 5.023 -14.789 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.554 5.008 -13.224 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.401 7.211 -16.001 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.719 6.943 -12.375 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.376 9.450 -16.463 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.692 9.186 -12.831 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.751 10.948 -14.229 1.00 0.00 H new ATOM 1217 N ASP A 82 2.016 7.465 -13.845 1.00 0.00 N ATOM 1218 CA ASP A 82 3.132 8.121 -14.538 1.00 0.00 C ATOM 1219 C ASP A 82 4.507 7.688 -13.978 1.00 0.00 C ATOM 1220 O ASP A 82 4.595 7.045 -12.929 1.00 0.00 O ATOM 1221 CB ASP A 82 2.925 9.642 -14.459 1.00 0.00 C ATOM 1222 CG ASP A 82 3.927 10.431 -15.321 1.00 0.00 C ATOM 1223 OD1 ASP A 82 4.212 10.009 -16.466 1.00 0.00 O ATOM 1224 OD2 ASP A 82 4.438 11.472 -14.842 1.00 0.00 O ATOM 0 H ASP A 82 1.586 8.058 -13.135 1.00 0.00 H new ATOM 0 HA ASP A 82 3.139 7.811 -15.583 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.911 9.882 -14.779 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.016 9.962 -13.421 1.00 0.00 H new ATOM 1229 N SER A 83 5.580 8.051 -14.685 1.00 0.00 N ATOM 1230 CA SER A 83 6.981 7.766 -14.353 1.00 0.00 C ATOM 1231 C SER A 83 7.417 8.212 -12.943 1.00 0.00 C ATOM 1232 O SER A 83 6.869 9.144 -12.347 1.00 0.00 O ATOM 1233 CB SER A 83 7.898 8.441 -15.382 1.00 0.00 C ATOM 1234 OG SER A 83 7.584 7.997 -16.695 1.00 0.00 O ATOM 0 H SER A 83 5.491 8.581 -15.552 1.00 0.00 H new ATOM 0 HA SER A 83 7.068 6.680 -14.374 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.787 9.524 -15.322 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.939 8.214 -15.154 1.00 0.00 H new ATOM 0 HG SER A 83 8.176 8.438 -17.340 1.00 0.00 H new ATOM 1240 N ASP A 84 8.475 7.571 -12.431 1.00 0.00 N ATOM 1241 CA ASP A 84 9.025 7.784 -11.081 1.00 0.00 C ATOM 1242 C ASP A 84 9.631 9.179 -10.831 1.00 0.00 C ATOM 1243 O ASP A 84 9.816 9.563 -9.678 1.00 0.00 O ATOM 1244 CB ASP A 84 10.057 6.687 -10.777 1.00 0.00 C ATOM 1245 CG ASP A 84 11.285 6.761 -11.708 1.00 0.00 C ATOM 1246 OD1 ASP A 84 11.208 6.248 -12.850 1.00 0.00 O ATOM 1247 OD2 ASP A 84 12.329 7.324 -11.302 1.00 0.00 O ATOM 0 H ASP A 84 8.990 6.867 -12.959 1.00 0.00 H new ATOM 0 HA ASP A 84 8.177 7.727 -10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.384 6.776 -9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.585 5.710 -10.879 1.00 0.00 H new ATOM 1252 N SER A 85 9.875 9.972 -11.882 1.00 0.00 N ATOM 1253 CA SER A 85 10.390 11.351 -11.791 1.00 0.00 C ATOM 1254 C SER A 85 9.547 12.247 -10.873 1.00 0.00 C ATOM 1255 O SER A 85 10.107 12.995 -10.071 1.00 0.00 O ATOM 1256 CB SER A 85 10.473 11.964 -13.196 1.00 0.00 C ATOM 1257 OG SER A 85 9.233 11.812 -13.875 1.00 0.00 O ATOM 0 H SER A 85 9.717 9.669 -12.843 1.00 0.00 H new ATOM 0 HA SER A 85 11.383 11.295 -11.345 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.729 13.021 -13.124 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.268 11.481 -13.764 1.00 0.00 H new ATOM 0 HG SER A 85 9.299 12.208 -14.769 1.00 0.00 H new ATOM 1263 N GLN A 86 8.213 12.119 -10.898 1.00 0.00 N ATOM 1264 CA GLN A 86 7.325 12.855 -9.985 1.00 0.00 C ATOM 1265 C GLN A 86 7.465 12.403 -8.520 1.00 0.00 C ATOM 1266 O GLN A 86 7.464 13.244 -7.625 1.00 0.00 O ATOM 1267 CB GLN A 86 5.862 12.755 -10.451 1.00 0.00 C ATOM 1268 CG GLN A 86 5.596 13.509 -11.767 1.00 0.00 C ATOM 1269 CD GLN A 86 4.107 13.812 -11.952 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.514 14.601 -11.228 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.438 13.207 -12.908 1.00 0.00 N ATOM 0 H GLN A 86 7.720 11.506 -11.548 1.00 0.00 H new ATOM 0 HA GLN A 86 7.636 13.899 -10.019 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.599 11.705 -10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.211 13.153 -9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.161 14.441 -11.774 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.954 12.913 -12.607 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.913 12.546 -13.523 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.444 13.399 -13.035 1.00 0.00 H new ATOM 1280 N GLN A 87 7.661 11.105 -8.255 1.00 0.00 N ATOM 1281 CA GLN A 87 7.881 10.593 -6.890 1.00 0.00 C ATOM 1282 C GLN A 87 9.270 10.983 -6.357 1.00 0.00 C ATOM 1283 O GLN A 87 9.394 11.393 -5.203 1.00 0.00 O ATOM 1284 CB GLN A 87 7.642 9.071 -6.875 1.00 0.00 C ATOM 1285 CG GLN A 87 7.635 8.455 -5.465 1.00 0.00 C ATOM 1286 CD GLN A 87 6.506 8.983 -4.577 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.689 9.875 -3.762 1.00 0.00 O ATOM 1288 NE2 GLN A 87 5.299 8.474 -4.715 1.00 0.00 N ATOM 0 H GLN A 87 7.672 10.381 -8.974 1.00 0.00 H new ATOM 0 HA GLN A 87 7.166 11.055 -6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.689 8.858 -7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.416 8.586 -7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.544 7.372 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.591 8.658 -4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.134 7.729 -5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.529 8.825 -4.145 1.00 0.00 H new ATOM 1297 N ILE A 88 10.302 10.945 -7.211 1.00 0.00 N ATOM 1298 CA ILE A 88 11.647 11.455 -6.889 1.00 0.00 C ATOM 1299 C ILE A 88 11.590 12.954 -6.571 1.00 0.00 C ATOM 1300 O ILE A 88 12.099 13.364 -5.532 1.00 0.00 O ATOM 1301 CB ILE A 88 12.636 11.119 -8.036 1.00 0.00 C ATOM 1302 CG1 ILE A 88 12.902 9.600 -8.157 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.970 11.879 -7.899 1.00 0.00 C ATOM 1304 CD1 ILE A 88 13.771 8.978 -7.053 1.00 0.00 C ATOM 0 H ILE A 88 10.229 10.557 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 88 12.020 10.959 -5.993 1.00 0.00 H new ATOM 0 HB ILE A 88 12.148 11.452 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.942 9.083 -8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.380 9.410 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.628 11.610 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.781 12.952 -7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.445 11.613 -6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.890 7.911 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.750 9.457 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.290 9.124 -6.086 1.00 0.00 H new ATOM 1316 N LEU A 89 10.902 13.762 -7.385 1.00 0.00 N ATOM 1317 CA LEU A 89 10.683 15.191 -7.113 1.00 0.00 C ATOM 1318 C LEU A 89 9.934 15.418 -5.794 1.00 0.00 C ATOM 1319 O LEU A 89 10.370 16.241 -4.998 1.00 0.00 O ATOM 1320 CB LEU A 89 9.933 15.818 -8.310 1.00 0.00 C ATOM 1321 CG LEU A 89 9.494 17.289 -8.131 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.686 18.241 -8.020 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.641 17.724 -9.321 1.00 0.00 C ATOM 0 H LEU A 89 10.478 13.443 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 89 11.650 15.681 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.573 15.754 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.048 15.216 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 89 8.924 17.339 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.326 19.262 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.294 17.963 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.289 18.177 -8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.335 18.762 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.222 17.631 -10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.757 17.090 -9.386 1.00 0.00 H new ATOM 1335 N ASN A 90 8.854 14.673 -5.534 1.00 0.00 N ATOM 1336 CA ASN A 90 8.082 14.799 -4.296 1.00 0.00 C ATOM 1337 C ASN A 90 8.951 14.511 -3.057 1.00 0.00 C ATOM 1338 O ASN A 90 9.047 15.359 -2.172 1.00 0.00 O ATOM 1339 CB ASN A 90 6.853 13.871 -4.384 1.00 0.00 C ATOM 1340 CG ASN A 90 5.967 13.964 -3.153 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.126 13.222 -2.195 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.036 14.890 -3.119 1.00 0.00 N ATOM 0 H ASN A 90 8.492 13.967 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 90 7.736 15.826 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.270 14.128 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.187 12.841 -4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.446 14.990 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.903 15.509 -3.919 1.00 0.00 H new ATOM 1349 N ARG A 91 9.656 13.372 -3.018 1.00 0.00 N ATOM 1350 CA ARG A 91 10.527 13.024 -1.877 1.00 0.00 C ATOM 1351 C ARG A 91 11.755 13.929 -1.760 1.00 0.00 C ATOM 1352 O ARG A 91 12.163 14.222 -0.642 1.00 0.00 O ATOM 1353 CB ARG A 91 10.908 11.532 -1.935 1.00 0.00 C ATOM 1354 CG ARG A 91 9.777 10.556 -1.563 1.00 0.00 C ATOM 1355 CD ARG A 91 9.190 10.800 -0.163 1.00 0.00 C ATOM 1356 NE ARG A 91 7.966 11.625 -0.219 1.00 0.00 N ATOM 1357 CZ ARG A 91 7.373 12.253 0.781 1.00 0.00 C ATOM 1358 NH1 ARG A 91 7.848 12.273 1.993 1.00 0.00 N ATOM 1359 NH2 ARG A 91 6.279 12.910 0.565 1.00 0.00 N ATOM 0 H ARG A 91 9.643 12.673 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 91 9.955 13.199 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.251 11.299 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.750 11.361 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.980 10.638 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.157 9.536 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.963 9.844 0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.934 11.294 0.462 1.00 0.00 H new ATOM 0 HE ARG A 91 7.528 11.721 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.719 11.788 2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.349 12.774 2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.879 12.941 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.816 13.397 1.333 1.00 0.00 H new ATOM 1373 N LEU A 92 12.304 14.437 -2.866 1.00 0.00 N ATOM 1374 CA LEU A 92 13.403 15.414 -2.835 1.00 0.00 C ATOM 1375 C LEU A 92 12.930 16.757 -2.263 1.00 0.00 C ATOM 1376 O LEU A 92 13.537 17.293 -1.339 1.00 0.00 O ATOM 1377 CB LEU A 92 13.968 15.519 -4.267 1.00 0.00 C ATOM 1378 CG LEU A 92 15.134 16.483 -4.540 1.00 0.00 C ATOM 1379 CD1 LEU A 92 14.735 17.956 -4.588 1.00 0.00 C ATOM 1380 CD2 LEU A 92 16.294 16.323 -3.557 1.00 0.00 C ATOM 0 H LEU A 92 12.003 14.186 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 92 14.202 15.091 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.288 14.522 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.146 15.802 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 92 15.464 16.189 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.617 18.566 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.003 18.109 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.300 18.246 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.083 17.033 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.941 16.514 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.686 15.308 -3.619 1.00 0.00 H new ATOM 1392 N ARG A 93 11.807 17.277 -2.765 1.00 0.00 N ATOM 1393 CA ARG A 93 11.240 18.558 -2.305 1.00 0.00 C ATOM 1394 C ARG A 93 10.777 18.483 -0.850 1.00 0.00 C ATOM 1395 O ARG A 93 10.931 19.452 -0.121 1.00 0.00 O ATOM 1396 CB ARG A 93 10.131 19.002 -3.278 1.00 0.00 C ATOM 1397 CG ARG A 93 9.757 20.482 -3.086 1.00 0.00 C ATOM 1398 CD ARG A 93 8.768 20.969 -4.157 1.00 0.00 C ATOM 1399 NE ARG A 93 8.675 22.444 -4.160 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.392 23.297 -4.876 1.00 0.00 C ATOM 1401 NH1 ARG A 93 10.307 22.934 -5.727 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.236 24.580 -4.775 1.00 0.00 N ATOM 0 H ARG A 93 11.262 16.827 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 93 12.016 19.324 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.463 18.842 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.247 18.382 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.318 20.620 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.660 21.092 -3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.088 20.619 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.784 20.539 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 93 7.977 22.853 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.505 21.944 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.826 23.640 -6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.544 24.960 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.805 25.209 -5.341 1.00 0.00 H new ATOM 1416 N GLU A 94 10.316 17.323 -0.390 1.00 0.00 N ATOM 1417 CA GLU A 94 10.025 17.081 1.033 1.00 0.00 C ATOM 1418 C GLU A 94 11.307 17.018 1.886 1.00 0.00 C ATOM 1419 O GLU A 94 11.391 17.709 2.902 1.00 0.00 O ATOM 1420 CB GLU A 94 9.193 15.802 1.168 1.00 0.00 C ATOM 1421 CG GLU A 94 7.777 15.989 0.606 1.00 0.00 C ATOM 1422 CD GLU A 94 6.745 16.201 1.731 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.647 17.334 2.263 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.039 15.225 2.096 1.00 0.00 O ATOM 0 H GLU A 94 10.131 16.518 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 94 9.449 17.923 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.689 14.987 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.134 15.515 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.762 16.845 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.500 15.115 0.017 1.00 0.00 H new ATOM 1431 N ARG A 95 12.338 16.271 1.446 1.00 0.00 N ATOM 1432 CA ARG A 95 13.655 16.208 2.119 1.00 0.00 C ATOM 1433 C ARG A 95 14.298 17.592 2.299 1.00 0.00 C ATOM 1434 O ARG A 95 14.919 17.843 3.335 1.00 0.00 O ATOM 1435 CB ARG A 95 14.611 15.285 1.328 1.00 0.00 C ATOM 1436 CG ARG A 95 14.516 13.808 1.736 1.00 0.00 C ATOM 1437 CD ARG A 95 15.350 12.893 0.817 1.00 0.00 C ATOM 1438 NE ARG A 95 16.809 13.142 0.905 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.779 12.280 1.164 1.00 0.00 C ATOM 1440 NH1 ARG A 95 17.594 11.036 1.480 1.00 0.00 N ATOM 1441 NH2 ARG A 95 19.006 12.689 1.095 1.00 0.00 N ATOM 0 H ARG A 95 12.283 15.690 0.609 1.00 0.00 H new ATOM 0 HA ARG A 95 13.482 15.801 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.391 15.374 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.636 15.628 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.858 13.695 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.473 13.492 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.150 11.853 1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.026 13.034 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 95 17.104 14.105 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.647 10.661 1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.395 10.432 1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.208 13.657 0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.771 12.043 1.290 1.00 0.00 H new ATOM 1455 N VAL A 96 14.140 18.486 1.315 1.00 0.00 N ATOM 1456 CA VAL A 96 14.759 19.829 1.329 1.00 0.00 C ATOM 1457 C VAL A 96 13.855 20.921 1.921 1.00 0.00 C ATOM 1458 O VAL A 96 14.322 21.730 2.727 1.00 0.00 O ATOM 1459 CB VAL A 96 15.238 20.217 -0.084 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.918 21.589 -0.102 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.280 19.207 -0.568 1.00 0.00 C ATOM 0 H VAL A 96 13.579 18.304 0.483 1.00 0.00 H new ATOM 0 HA VAL A 96 15.618 19.762 1.996 1.00 0.00 H new ATOM 0 HB VAL A 96 14.355 20.234 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.240 21.822 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.214 22.348 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.785 21.574 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.617 19.483 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.130 19.206 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.836 18.212 -0.597 1.00 0.00 H new ATOM 1471 N SER A 97 12.566 20.932 1.569 1.00 0.00 N ATOM 1472 CA SER A 97 11.626 22.031 1.848 1.00 0.00 C ATOM 1473 C SER A 97 10.365 21.619 2.632 1.00 0.00 C ATOM 1474 O SER A 97 9.453 22.434 2.791 1.00 0.00 O ATOM 1475 CB SER A 97 11.234 22.733 0.538 1.00 0.00 C ATOM 1476 OG SER A 97 12.389 23.130 -0.196 1.00 0.00 O ATOM 0 H SER A 97 12.132 20.157 1.068 1.00 0.00 H new ATOM 0 HA SER A 97 12.162 22.717 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.626 22.063 -0.069 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.621 23.607 0.759 1.00 0.00 H new ATOM 0 HG SER A 97 12.113 23.573 -1.026 1.00 0.00 H new ATOM 1482 N GLY A 98 10.274 20.375 3.125 1.00 0.00 N ATOM 1483 CA GLY A 98 9.148 19.902 3.943 1.00 0.00 C ATOM 1484 C GLY A 98 9.027 20.603 5.307 1.00 0.00 C ATOM 1485 O GLY A 98 10.011 21.114 5.849 1.00 0.00 O ATOM 0 H GLY A 98 10.987 19.663 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.222 20.049 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.256 18.830 4.106 1.00 0.00 H new ATOM 1489 N SER A 99 7.811 20.612 5.866 1.00 0.00 N ATOM 1490 CA SER A 99 7.444 21.203 7.167 1.00 0.00 C ATOM 1491 C SER A 99 7.945 22.649 7.363 1.00 0.00 C ATOM 1492 O SER A 99 7.304 23.587 6.880 1.00 0.00 O ATOM 1493 CB SER A 99 7.801 20.260 8.328 1.00 0.00 C ATOM 1494 OG SER A 99 7.113 19.023 8.185 1.00 0.00 O ATOM 0 H SER A 99 7.010 20.185 5.401 1.00 0.00 H new ATOM 0 HA SER A 99 6.359 21.306 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.877 20.086 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.536 20.724 9.278 1.00 0.00 H new ATOM 0 HG SER A 99 7.349 18.430 8.928 1.00 0.00 H new ATOM 1500 N THR A 100 9.070 22.850 8.059 1.00 0.00 N ATOM 1501 CA THR A 100 9.649 24.173 8.372 1.00 0.00 C ATOM 1502 C THR A 100 10.640 24.688 7.318 1.00 0.00 C ATOM 1503 O THR A 100 11.002 25.868 7.350 1.00 0.00 O ATOM 1504 CB THR A 100 10.374 24.132 9.727 1.00 0.00 C ATOM 1505 OG1 THR A 100 11.365 23.124 9.690 1.00 0.00 O ATOM 1506 CG2 THR A 100 9.421 23.833 10.887 1.00 0.00 C ATOM 0 H THR A 100 9.623 22.079 8.433 1.00 0.00 H new ATOM 0 HA THR A 100 8.802 24.858 8.392 1.00 0.00 H new ATOM 0 HB THR A 100 10.813 25.116 9.894 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.833 23.093 10.551 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.981 23.815 11.822 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.655 24.607 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.948 22.864 10.728 1.00 0.00 H new ATOM 1514 N ALA A 101 11.100 23.824 6.401 1.00 0.00 N ATOM 1515 CA ALA A 101 12.201 24.079 5.458 1.00 0.00 C ATOM 1516 C ALA A 101 13.511 24.569 6.136 1.00 0.00 C ATOM 1517 O ALA A 101 14.280 25.331 5.544 1.00 0.00 O ATOM 1518 CB ALA A 101 11.702 24.976 4.311 1.00 0.00 C ATOM 0 H ALA A 101 10.700 22.892 6.291 1.00 0.00 H new ATOM 0 HA ALA A 101 12.502 23.127 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.519 25.164 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.886 24.478 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.347 25.923 4.718 1.00 0.00 H new ATOM 1524 N GLN A 102 13.756 24.158 7.388 1.00 0.00 N ATOM 1525 CA GLN A 102 14.857 24.634 8.239 1.00 0.00 C ATOM 1526 C GLN A 102 15.482 23.486 9.063 1.00 0.00 C ATOM 1527 O GLN A 102 14.796 22.532 9.444 1.00 0.00 O ATOM 1528 CB GLN A 102 14.315 25.768 9.134 1.00 0.00 C ATOM 1529 CG GLN A 102 15.411 26.558 9.871 1.00 0.00 C ATOM 1530 CD GLN A 102 14.874 27.727 10.702 1.00 0.00 C ATOM 1531 OE1 GLN A 102 13.681 27.980 10.818 1.00 0.00 O ATOM 1532 NE2 GLN A 102 15.743 28.496 11.328 1.00 0.00 N ATOM 0 H GLN A 102 13.174 23.461 7.852 1.00 0.00 H new ATOM 0 HA GLN A 102 15.665 25.019 7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.735 26.457 8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 102 13.631 25.343 9.868 1.00 0.00 H new ATOM 0 HG2 GLN A 102 15.958 25.879 10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 102 16.124 26.940 9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 102 16.742 28.307 11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.416 29.280 11.893 1.00 0.00 H new ATOM 1541 N SER A 103 16.786 23.573 9.344 1.00 0.00 N ATOM 1542 CA SER A 103 17.533 22.609 10.172 1.00 0.00 C ATOM 1543 C SER A 103 17.224 22.725 11.678 1.00 0.00 C ATOM 1544 O SER A 103 16.783 23.773 12.167 1.00 0.00 O ATOM 1545 CB SER A 103 19.041 22.750 9.909 1.00 0.00 C ATOM 1546 OG SER A 103 19.475 24.091 10.114 1.00 0.00 O ATOM 0 H SER A 103 17.370 24.333 8.995 1.00 0.00 H new ATOM 0 HA SER A 103 17.201 21.614 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.592 22.081 10.570 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.265 22.444 8.887 1.00 0.00 H new ATOM 0 HG SER A 103 20.438 24.153 9.942 1.00 0.00 H new ATOM 1552 N ALA A 104 17.452 21.630 12.419 1.00 0.00 N ATOM 1553 CA ALA A 104 17.255 21.544 13.875 1.00 0.00 C ATOM 1554 C ALA A 104 18.375 22.249 14.678 1.00 0.00 C ATOM 1555 O ALA A 104 19.574 22.058 14.359 1.00 0.00 O ATOM 1556 CB ALA A 104 17.096 20.068 14.267 1.00 0.00 C ATOM 1557 OXT ALA A 104 18.050 22.983 15.641 1.00 0.00 O ATOM 0 H ALA A 104 17.787 20.757 12.012 1.00 0.00 H new ATOM 0 HA ALA A 104 16.345 22.084 14.135 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.949 19.991 15.344 1.00 0.00 H new ATOM 0 HB2 ALA A 104 16.233 19.646 13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 104 17.993 19.517 13.983 1.00 0.00 H new TER 1563 ALA A 104