USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 27 GLN : amide:sc= -0.149 K(o=0.51,f=-0.21) USER MOD Set 1.2: A 91 SER OG : rot 171:sc= 0.662 USER MOD Set 2.1: A 2 HIS : no HD1:sc= 0 X(o=1.8,f=1.5) USER MOD Set 2.2: A 4 SER OG : rot 98:sc= 0.943 USER MOD Set 2.3: A 7 THR OG1 : rot 35:sc= 0.819 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.167 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0.206 USER MOD Single : A 16 ASN : amide:sc= 0.988 K(o=0.99,f=-5.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0282 K(o=-0.028,f=-2.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -119:sc= -3.26! (180deg=-5.11!) USER MOD Single : A 28 CYS SG : rot 102:sc= 0.0966 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -155:sc= -0.0131 (180deg=-0.988) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00646) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0.539 (180deg=0.537) USER MOD Single : A 45 GLN : amide:sc=-0.00384 K(o=-0.0038,f=-1.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.137 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 159:sc= -1.91 (180deg=-1.96) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.483 USER MOD Single : A 72 THR OG1 : rot -52:sc= 0.923 USER MOD Single : A 74 SER OG : rot -90:sc= 0.972 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 79 GLN : amide:sc= -1.01 K(o=-1,f=-0.26) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00921 USER MOD Single : A 89 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.018) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.376 37.564 13.378 1.00 0.00 N ATOM 2 CA GLY A 1 26.241 36.789 14.622 1.00 0.00 C ATOM 3 C GLY A 1 24.804 36.859 15.097 1.00 0.00 C ATOM 4 O GLY A 1 24.066 37.719 14.628 1.00 0.00 O ATOM 0 H1 GLY A 1 26.602 36.922 12.592 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.482 38.056 13.177 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.139 38.262 13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.531 35.752 14.452 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.909 37.186 15.386 1.00 0.00 H new ATOM 8 N HIS A 2 24.401 35.963 15.993 1.00 0.00 N ATOM 9 CA HIS A 2 23.056 35.862 16.549 1.00 0.00 C ATOM 10 C HIS A 2 23.187 35.287 17.957 1.00 0.00 C ATOM 11 O HIS A 2 24.172 34.602 18.241 1.00 0.00 O ATOM 12 CB HIS A 2 22.194 34.941 15.662 1.00 0.00 C ATOM 13 CG HIS A 2 22.911 33.697 15.179 1.00 0.00 C ATOM 14 ND1 HIS A 2 23.499 32.723 15.961 1.00 0.00 N ATOM 15 CD2 HIS A 2 23.161 33.379 13.870 1.00 0.00 C ATOM 16 CE1 HIS A 2 24.096 31.844 15.138 1.00 0.00 C ATOM 17 NE2 HIS A 2 23.936 32.219 13.859 1.00 0.00 N ATOM 0 H HIS A 2 25.032 35.255 16.368 1.00 0.00 H new ATOM 0 HA HIS A 2 22.572 36.838 16.586 1.00 0.00 H new ATOM 0 HB2 HIS A 2 21.308 34.642 16.221 1.00 0.00 H new ATOM 0 HB3 HIS A 2 21.849 35.507 14.797 1.00 0.00 H new ATOM 0 HD2 HIS A 2 22.820 33.927 13.004 1.00 0.00 H new ATOM 0 HE1 HIS A 2 24.629 30.961 15.460 1.00 0.00 H new ATOM 0 HE2 HIS A 2 24.310 31.746 13.036 1.00 0.00 H new ATOM 25 N ILE A 3 22.198 35.525 18.817 1.00 0.00 N ATOM 26 CA ILE A 3 22.131 34.959 20.160 1.00 0.00 C ATOM 27 C ILE A 3 21.133 33.801 20.130 1.00 0.00 C ATOM 28 O ILE A 3 20.040 33.874 20.681 1.00 0.00 O ATOM 29 CB ILE A 3 21.862 36.056 21.222 1.00 0.00 C ATOM 30 CG1 ILE A 3 20.674 36.988 20.877 1.00 0.00 C ATOM 31 CG2 ILE A 3 23.154 36.878 21.413 1.00 0.00 C ATOM 32 CD1 ILE A 3 20.227 37.861 22.056 1.00 0.00 C ATOM 0 H ILE A 3 21.406 36.128 18.594 1.00 0.00 H new ATOM 0 HA ILE A 3 23.089 34.544 20.473 1.00 0.00 H new ATOM 0 HB ILE A 3 21.575 35.553 22.146 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.956 37.631 20.044 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.832 36.383 20.542 1.00 0.00 H new ATOM 0 HG21 ILE A 3 22.984 37.656 22.158 1.00 0.00 H new ATOM 0 HG22 ILE A 3 23.956 36.222 21.751 1.00 0.00 H new ATOM 0 HG23 ILE A 3 23.436 37.338 20.466 1.00 0.00 H new ATOM 0 HD11 ILE A 3 19.392 38.490 21.747 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.915 37.223 22.883 1.00 0.00 H new ATOM 0 HD13 ILE A 3 21.056 38.491 22.377 1.00 0.00 H new ATOM 44 N SER A 4 21.511 32.726 19.441 1.00 0.00 N ATOM 45 CA SER A 4 20.726 31.512 19.320 1.00 0.00 C ATOM 46 C SER A 4 21.696 30.336 19.279 1.00 0.00 C ATOM 47 O SER A 4 22.781 30.448 18.703 1.00 0.00 O ATOM 48 CB SER A 4 19.827 31.596 18.074 1.00 0.00 C ATOM 49 OG SER A 4 20.549 31.939 16.907 1.00 0.00 O ATOM 0 H SER A 4 22.398 32.680 18.939 1.00 0.00 H new ATOM 0 HA SER A 4 20.057 31.376 20.170 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.332 30.637 17.922 1.00 0.00 H new ATOM 0 HB3 SER A 4 19.045 32.336 18.244 1.00 0.00 H new ATOM 0 HG SER A 4 20.757 31.126 16.400 1.00 0.00 H new ATOM 55 N GLY A 5 21.300 29.212 19.878 1.00 0.00 N ATOM 56 CA GLY A 5 22.093 27.989 19.989 1.00 0.00 C ATOM 57 C GLY A 5 21.330 26.767 19.479 1.00 0.00 C ATOM 58 O GLY A 5 21.637 25.649 19.871 1.00 0.00 O ATOM 0 H GLY A 5 20.383 29.126 20.316 1.00 0.00 H new ATOM 0 HA2 GLY A 5 23.017 28.103 19.422 1.00 0.00 H new ATOM 0 HA3 GLY A 5 22.375 27.832 21.030 1.00 0.00 H new ATOM 62 N ALA A 6 20.305 26.983 18.649 1.00 0.00 N ATOM 63 CA ALA A 6 19.440 25.955 18.074 1.00 0.00 C ATOM 64 C ALA A 6 19.223 26.272 16.588 1.00 0.00 C ATOM 65 O ALA A 6 18.111 26.162 16.074 1.00 0.00 O ATOM 66 CB ALA A 6 18.126 25.908 18.872 1.00 0.00 C ATOM 0 H ALA A 6 20.046 27.922 18.348 1.00 0.00 H new ATOM 0 HA ALA A 6 19.894 24.966 18.137 1.00 0.00 H new ATOM 0 HB1 ALA A 6 17.472 25.144 18.452 1.00 0.00 H new ATOM 0 HB2 ALA A 6 18.341 25.669 19.913 1.00 0.00 H new ATOM 0 HB3 ALA A 6 17.632 26.878 18.817 1.00 0.00 H new ATOM 72 N THR A 7 20.269 26.767 15.926 1.00 0.00 N ATOM 73 CA THR A 7 20.225 27.341 14.593 1.00 0.00 C ATOM 74 C THR A 7 21.507 26.924 13.877 1.00 0.00 C ATOM 75 O THR A 7 22.579 26.982 14.483 1.00 0.00 O ATOM 76 CB THR A 7 20.105 28.879 14.705 1.00 0.00 C ATOM 77 OG1 THR A 7 20.965 29.407 15.712 1.00 0.00 O ATOM 78 CG2 THR A 7 18.679 29.322 15.048 1.00 0.00 C ATOM 0 H THR A 7 21.207 26.776 16.326 1.00 0.00 H new ATOM 0 HA THR A 7 19.364 26.987 14.026 1.00 0.00 H new ATOM 0 HB THR A 7 20.390 29.262 13.725 1.00 0.00 H new ATOM 0 HG1 THR A 7 21.793 28.884 15.742 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.642 30.409 15.116 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.996 28.984 14.269 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.383 28.888 16.003 1.00 0.00 H new ATOM 86 N SER A 8 21.417 26.558 12.598 1.00 0.00 N ATOM 87 CA SER A 8 22.550 26.188 11.756 1.00 0.00 C ATOM 88 C SER A 8 22.303 26.728 10.344 1.00 0.00 C ATOM 89 O SER A 8 21.202 27.205 10.056 1.00 0.00 O ATOM 90 CB SER A 8 22.715 24.661 11.744 1.00 0.00 C ATOM 91 OG SER A 8 22.663 24.133 13.060 1.00 0.00 O ATOM 0 H SER A 8 20.525 26.510 12.106 1.00 0.00 H new ATOM 0 HA SER A 8 23.472 26.619 12.147 1.00 0.00 H new ATOM 0 HB2 SER A 8 21.929 24.212 11.137 1.00 0.00 H new ATOM 0 HB3 SER A 8 23.666 24.398 11.280 1.00 0.00 H new ATOM 0 HG SER A 8 22.769 23.159 13.026 1.00 0.00 H new ATOM 97 N VAL A 9 23.316 26.678 9.478 1.00 0.00 N ATOM 98 CA VAL A 9 23.255 27.233 8.132 1.00 0.00 C ATOM 99 C VAL A 9 24.094 26.333 7.233 1.00 0.00 C ATOM 100 O VAL A 9 25.209 26.647 6.834 1.00 0.00 O ATOM 101 CB VAL A 9 23.619 28.728 8.173 1.00 0.00 C ATOM 102 CG1 VAL A 9 24.944 29.054 8.889 1.00 0.00 C ATOM 103 CG2 VAL A 9 23.567 29.401 6.795 1.00 0.00 C ATOM 0 H VAL A 9 24.213 26.244 9.698 1.00 0.00 H new ATOM 0 HA VAL A 9 22.255 27.233 7.697 1.00 0.00 H new ATOM 0 HB VAL A 9 22.829 29.158 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.114 30.130 8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 9 24.891 28.717 9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.765 28.546 8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 9 23.834 30.453 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 9 24.271 28.910 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 9 22.559 29.319 6.388 1.00 0.00 H new ATOM 113 N ASP A 10 23.534 25.161 6.970 1.00 0.00 N ATOM 114 CA ASP A 10 24.143 24.126 6.145 1.00 0.00 C ATOM 115 C ASP A 10 23.040 23.317 5.474 1.00 0.00 C ATOM 116 O ASP A 10 22.053 22.960 6.122 1.00 0.00 O ATOM 117 CB ASP A 10 25.019 23.204 7.001 1.00 0.00 C ATOM 118 CG ASP A 10 25.569 22.067 6.141 1.00 0.00 C ATOM 119 OD1 ASP A 10 26.500 22.336 5.338 1.00 0.00 O ATOM 120 OD2 ASP A 10 25.043 20.938 6.194 1.00 0.00 O ATOM 0 H ASP A 10 22.619 24.896 7.334 1.00 0.00 H new ATOM 0 HA ASP A 10 24.774 24.593 5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.840 23.771 7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.436 22.798 7.828 1.00 0.00 H new ATOM 125 N GLN A 11 23.188 23.058 4.174 1.00 0.00 N ATOM 126 CA GLN A 11 22.518 22.023 3.411 1.00 0.00 C ATOM 127 C GLN A 11 23.288 21.838 2.093 1.00 0.00 C ATOM 128 O GLN A 11 24.113 22.679 1.720 1.00 0.00 O ATOM 129 CB GLN A 11 21.053 22.397 3.118 1.00 0.00 C ATOM 130 CG GLN A 11 20.861 23.759 2.427 1.00 0.00 C ATOM 131 CD GLN A 11 19.478 23.940 1.793 1.00 0.00 C ATOM 132 OE1 GLN A 11 18.550 23.153 1.982 1.00 0.00 O ATOM 133 NE2 GLN A 11 19.310 24.985 1.000 1.00 0.00 N ATOM 0 H GLN A 11 23.823 23.607 3.595 1.00 0.00 H new ATOM 0 HA GLN A 11 22.505 21.098 3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 11 20.613 21.622 2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 11 20.499 22.400 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 11 21.023 24.552 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 11 21.622 23.875 1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 11 20.080 25.636 0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 11 18.411 25.140 0.544 1.00 0.00 H new ATOM 142 N ARG A 12 22.957 20.781 1.351 1.00 0.00 N ATOM 143 CA ARG A 12 23.391 20.511 -0.017 1.00 0.00 C ATOM 144 C ARG A 12 22.215 20.487 -0.979 1.00 0.00 C ATOM 145 O ARG A 12 22.412 20.841 -2.138 1.00 0.00 O ATOM 146 CB ARG A 12 24.125 19.160 -0.063 1.00 0.00 C ATOM 147 CG ARG A 12 25.520 19.214 0.565 1.00 0.00 C ATOM 148 CD ARG A 12 26.587 19.499 -0.505 1.00 0.00 C ATOM 149 NE ARG A 12 27.903 19.788 0.088 1.00 0.00 N ATOM 150 CZ ARG A 12 28.637 18.940 0.814 1.00 0.00 C ATOM 151 NH1 ARG A 12 28.249 17.682 0.957 1.00 0.00 N ATOM 152 NH2 ARG A 12 29.757 19.338 1.400 1.00 0.00 N ATOM 0 H ARG A 12 22.344 20.049 1.711 1.00 0.00 H new ATOM 0 HA ARG A 12 24.062 21.312 -0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 12 23.528 18.411 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 12 24.212 18.835 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 12 25.550 19.989 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 12 25.738 18.268 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 12 26.671 18.640 -1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 12 26.271 20.345 -1.115 1.00 0.00 H new ATOM 0 HE ARG A 12 28.289 20.719 -0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 12 27.389 17.360 0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 12 28.810 17.035 1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 12 30.070 20.304 1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 12 30.306 18.679 1.951 1.00 0.00 H new ATOM 166 N SER A 13 21.033 20.031 -0.560 1.00 0.00 N ATOM 167 CA SER A 13 19.853 20.013 -1.412 1.00 0.00 C ATOM 168 C SER A 13 18.605 19.926 -0.546 1.00 0.00 C ATOM 169 O SER A 13 18.672 19.842 0.680 1.00 0.00 O ATOM 170 CB SER A 13 19.942 18.838 -2.401 1.00 0.00 C ATOM 171 OG SER A 13 18.969 18.921 -3.422 1.00 0.00 O ATOM 0 H SER A 13 20.872 19.665 0.379 1.00 0.00 H new ATOM 0 HA SER A 13 19.798 20.933 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 13 20.935 18.818 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 13 19.818 17.900 -1.860 1.00 0.00 H new ATOM 0 HG SER A 13 19.064 18.156 -4.027 1.00 0.00 H new ATOM 177 N LEU A 14 17.456 19.902 -1.214 1.00 0.00 N ATOM 178 CA LEU A 14 16.101 19.965 -0.668 1.00 0.00 C ATOM 179 C LEU A 14 15.623 18.633 -0.063 1.00 0.00 C ATOM 180 O LEU A 14 14.461 18.495 0.324 1.00 0.00 O ATOM 181 CB LEU A 14 15.123 20.425 -1.760 1.00 0.00 C ATOM 182 CG LEU A 14 15.185 21.917 -2.142 1.00 0.00 C ATOM 183 CD1 LEU A 14 16.488 22.329 -2.827 1.00 0.00 C ATOM 184 CD2 LEU A 14 14.000 22.224 -3.062 1.00 0.00 C ATOM 0 H LEU A 14 17.446 19.833 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 14 16.125 20.686 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 14 15.307 19.833 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.109 20.197 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 14 15.141 22.492 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.454 23.392 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.328 22.133 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.613 21.756 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.023 23.276 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.064 21.605 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.068 22.010 -2.539 1.00 0.00 H new ATOM 196 N ILE A 15 16.489 17.627 -0.020 1.00 0.00 N ATOM 197 CA ILE A 15 16.287 16.336 0.621 1.00 0.00 C ATOM 198 C ILE A 15 17.570 15.960 1.341 1.00 0.00 C ATOM 199 O ILE A 15 18.109 14.870 1.149 1.00 0.00 O ATOM 200 CB ILE A 15 15.852 15.252 -0.376 1.00 0.00 C ATOM 201 CG1 ILE A 15 16.712 15.234 -1.662 1.00 0.00 C ATOM 202 CG2 ILE A 15 14.360 15.408 -0.732 1.00 0.00 C ATOM 203 CD1 ILE A 15 16.402 14.063 -2.601 1.00 0.00 C ATOM 0 H ILE A 15 17.407 17.697 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 15 15.470 16.414 1.339 1.00 0.00 H new ATOM 0 HB ILE A 15 16.007 14.294 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.561 16.169 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.765 15.194 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.072 14.631 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.759 15.317 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.194 16.387 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 15 17.046 14.120 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 15 16.581 13.122 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 15 15.359 14.113 -2.912 1.00 0.00 H new ATOM 215 N ASN A 16 18.096 16.879 2.146 1.00 0.00 N ATOM 216 CA ASN A 16 19.467 16.732 2.604 1.00 0.00 C ATOM 217 C ASN A 16 19.679 15.462 3.429 1.00 0.00 C ATOM 218 O ASN A 16 20.725 14.824 3.361 1.00 0.00 O ATOM 219 CB ASN A 16 19.890 17.961 3.407 1.00 0.00 C ATOM 220 CG ASN A 16 21.396 18.017 3.409 1.00 0.00 C ATOM 221 OD1 ASN A 16 21.966 18.454 2.419 1.00 0.00 O ATOM 222 ND2 ASN A 16 22.048 17.571 4.460 1.00 0.00 N ATOM 0 H ASN A 16 17.608 17.708 2.485 1.00 0.00 H new ATOM 0 HA ASN A 16 20.093 16.643 1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 16 19.475 18.867 2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 16 19.509 17.900 4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 16 23.068 17.581 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 16 21.534 17.215 5.266 1.00 0.00 H new ATOM 229 N SER A 17 18.622 15.072 4.123 1.00 0.00 N ATOM 230 CA SER A 17 18.322 13.727 4.562 1.00 0.00 C ATOM 231 C SER A 17 16.823 13.758 4.825 1.00 0.00 C ATOM 232 O SER A 17 16.394 13.996 5.960 1.00 0.00 O ATOM 233 CB SER A 17 19.171 13.300 5.775 1.00 0.00 C ATOM 234 OG SER A 17 19.342 14.336 6.726 1.00 0.00 O ATOM 0 H SER A 17 17.904 15.736 4.412 1.00 0.00 H new ATOM 0 HA SER A 17 18.577 12.968 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 17 18.698 12.445 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 17 20.150 12.969 5.427 1.00 0.00 H new ATOM 0 HG SER A 17 19.886 14.008 7.473 1.00 0.00 H new ATOM 240 N ASN A 18 16.022 13.638 3.753 1.00 0.00 N ATOM 241 CA ASN A 18 14.573 13.568 3.892 1.00 0.00 C ATOM 242 C ASN A 18 14.033 12.196 3.502 1.00 0.00 C ATOM 243 O ASN A 18 13.903 11.335 4.365 1.00 0.00 O ATOM 244 CB ASN A 18 13.884 14.762 3.211 1.00 0.00 C ATOM 245 CG ASN A 18 12.482 14.971 3.770 1.00 0.00 C ATOM 246 OD1 ASN A 18 11.979 14.168 4.544 1.00 0.00 O ATOM 247 ND2 ASN A 18 11.795 16.023 3.365 1.00 0.00 N ATOM 0 H ASN A 18 16.358 13.588 2.791 1.00 0.00 H new ATOM 0 HA ASN A 18 14.318 13.668 4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 18 14.478 15.664 3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.830 14.591 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.842 16.168 3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.217 16.690 2.720 1.00 0.00 H new ATOM 254 N VAL A 19 13.777 11.962 2.228 1.00 0.00 N ATOM 255 CA VAL A 19 13.354 10.662 1.687 1.00 0.00 C ATOM 256 C VAL A 19 14.603 9.886 1.239 1.00 0.00 C ATOM 257 O VAL A 19 15.664 10.493 1.065 1.00 0.00 O ATOM 258 CB VAL A 19 12.327 10.852 0.542 1.00 0.00 C ATOM 259 CG1 VAL A 19 11.489 9.580 0.336 1.00 0.00 C ATOM 260 CG2 VAL A 19 11.341 12.008 0.796 1.00 0.00 C ATOM 0 H VAL A 19 13.857 12.685 1.512 1.00 0.00 H new ATOM 0 HA VAL A 19 12.846 10.079 2.456 1.00 0.00 H new ATOM 0 HB VAL A 19 12.926 11.081 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.777 9.741 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.146 8.749 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.949 9.347 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.649 12.087 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.781 11.814 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.894 12.942 0.900 1.00 0.00 H new ATOM 270 N GLY A 20 14.497 8.577 1.001 1.00 0.00 N ATOM 271 CA GLY A 20 15.583 7.740 0.522 1.00 0.00 C ATOM 272 C GLY A 20 15.126 6.286 0.486 1.00 0.00 C ATOM 273 O GLY A 20 14.782 5.722 1.524 1.00 0.00 O ATOM 0 H GLY A 20 13.628 8.063 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.891 8.060 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.451 7.844 1.173 1.00 0.00 H new ATOM 277 N PHE A 21 14.990 5.703 -0.707 1.00 0.00 N ATOM 278 CA PHE A 21 14.632 4.286 -0.853 1.00 0.00 C ATOM 279 C PHE A 21 15.766 3.421 -0.301 1.00 0.00 C ATOM 280 O PHE A 21 16.919 3.855 -0.323 1.00 0.00 O ATOM 281 CB PHE A 21 14.420 3.901 -2.324 1.00 0.00 C ATOM 282 CG PHE A 21 13.075 4.250 -2.943 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.446 5.489 -2.701 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.445 3.308 -3.781 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.210 5.785 -3.298 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.195 3.594 -4.352 1.00 0.00 C ATOM 287 CZ PHE A 21 10.585 4.839 -4.125 1.00 0.00 C ATOM 0 H PHE A 21 15.123 6.192 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 21 13.703 4.123 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.200 4.381 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.566 2.825 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.917 6.214 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.926 2.363 -3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.740 6.741 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.701 2.856 -4.967 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.636 5.068 -4.587 1.00 0.00 H new ATOM 297 N VAL A 22 15.464 2.190 0.102 1.00 0.00 N ATOM 298 CA VAL A 22 16.425 1.314 0.763 1.00 0.00 C ATOM 299 C VAL A 22 16.318 -0.102 0.219 1.00 0.00 C ATOM 300 O VAL A 22 15.230 -0.544 -0.156 1.00 0.00 O ATOM 301 CB VAL A 22 16.174 1.417 2.276 1.00 0.00 C ATOM 302 CG1 VAL A 22 15.001 0.576 2.792 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.443 1.101 3.069 1.00 0.00 C ATOM 0 H VAL A 22 14.542 1.771 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 22 17.453 1.618 0.563 1.00 0.00 H new ATOM 0 HB VAL A 22 15.886 2.456 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.901 0.713 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.082 0.893 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.185 -0.476 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.235 1.182 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.773 0.088 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 22 18.227 1.808 2.798 1.00 0.00 H new ATOM 313 N THR A 23 17.440 -0.813 0.177 1.00 0.00 N ATOM 314 CA THR A 23 17.448 -2.223 -0.176 1.00 0.00 C ATOM 315 C THR A 23 16.849 -3.053 0.973 1.00 0.00 C ATOM 316 O THR A 23 17.068 -2.756 2.151 1.00 0.00 O ATOM 317 CB THR A 23 18.882 -2.688 -0.490 1.00 0.00 C ATOM 318 OG1 THR A 23 19.631 -1.741 -1.219 1.00 0.00 O ATOM 319 CG2 THR A 23 18.911 -3.982 -1.309 1.00 0.00 C ATOM 0 H THR A 23 18.362 -0.429 0.386 1.00 0.00 H new ATOM 0 HA THR A 23 16.839 -2.369 -1.068 1.00 0.00 H new ATOM 0 HB THR A 23 19.325 -2.837 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.530 -2.093 -1.385 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.945 -4.267 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.415 -4.776 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.394 -3.825 -2.256 1.00 0.00 H new ATOM 327 N MET A 24 16.198 -4.171 0.657 1.00 0.00 N ATOM 328 CA MET A 24 16.020 -5.275 1.563 1.00 0.00 C ATOM 329 C MET A 24 16.471 -6.554 0.898 1.00 0.00 C ATOM 330 O MET A 24 16.607 -6.637 -0.327 1.00 0.00 O ATOM 331 CB MET A 24 14.579 -5.442 2.012 1.00 0.00 C ATOM 332 CG MET A 24 13.730 -4.199 2.105 1.00 0.00 C ATOM 333 SD MET A 24 11.991 -4.642 2.365 1.00 0.00 S ATOM 334 CE MET A 24 12.131 -5.741 3.799 1.00 0.00 C ATOM 0 H MET A 24 15.775 -4.326 -0.258 1.00 0.00 H new ATOM 0 HA MET A 24 16.621 -5.059 2.446 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.090 -6.132 1.324 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.585 -5.919 2.992 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.079 -3.573 2.926 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.830 -3.613 1.192 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.763 -6.732 3.535 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.175 -5.811 4.103 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.539 -5.342 4.623 1.00 0.00 H new ATOM 344 N ILE A 25 16.657 -7.562 1.733 1.00 0.00 N ATOM 345 CA ILE A 25 17.448 -8.739 1.439 1.00 0.00 C ATOM 346 C ILE A 25 16.563 -9.948 1.700 1.00 0.00 C ATOM 347 O ILE A 25 15.865 -10.013 2.715 1.00 0.00 O ATOM 348 CB ILE A 25 18.732 -8.781 2.306 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.383 -7.412 2.618 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.768 -9.734 1.684 1.00 0.00 C ATOM 351 CD1 ILE A 25 19.943 -6.673 1.401 1.00 0.00 C ATOM 0 H ILE A 25 16.246 -7.581 2.666 1.00 0.00 H new ATOM 0 HA ILE A 25 17.781 -8.729 0.401 1.00 0.00 H new ATOM 0 HB ILE A 25 18.395 -9.152 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.642 -6.776 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.190 -7.565 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.664 -9.753 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.348 -10.738 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.027 -9.387 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.378 -5.726 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.711 -7.284 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.139 -6.482 0.690 1.00 0.00 H new ATOM 363 N LEU A 26 16.600 -10.907 0.785 1.00 0.00 N ATOM 364 CA LEU A 26 15.816 -12.124 0.835 1.00 0.00 C ATOM 365 C LEU A 26 16.764 -13.303 0.722 1.00 0.00 C ATOM 366 O LEU A 26 17.585 -13.349 -0.198 1.00 0.00 O ATOM 367 CB LEU A 26 14.781 -12.133 -0.307 1.00 0.00 C ATOM 368 CG LEU A 26 13.332 -12.192 0.179 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.106 -13.448 0.997 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.923 -10.878 0.873 1.00 0.00 C ATOM 0 H LEU A 26 17.199 -10.853 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 26 15.269 -12.187 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.915 -11.238 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.974 -12.989 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 26 12.657 -12.271 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.071 -13.479 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.312 -14.324 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.772 -13.445 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.888 -10.950 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.571 -10.703 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.020 -10.050 0.171 1.00 0.00 H new ATOM 382 N GLN A 27 16.668 -14.238 1.664 1.00 0.00 N ATOM 383 CA GLN A 27 17.434 -15.461 1.725 1.00 0.00 C ATOM 384 C GLN A 27 16.456 -16.615 1.938 1.00 0.00 C ATOM 385 O GLN A 27 15.393 -16.442 2.541 1.00 0.00 O ATOM 386 CB GLN A 27 18.444 -15.345 2.876 1.00 0.00 C ATOM 387 CG GLN A 27 19.446 -14.195 2.653 1.00 0.00 C ATOM 388 CD GLN A 27 19.224 -12.883 3.413 1.00 0.00 C ATOM 389 OE1 GLN A 27 20.193 -12.171 3.687 1.00 0.00 O ATOM 390 NE2 GLN A 27 18.002 -12.487 3.708 1.00 0.00 N ATOM 0 H GLN A 27 16.016 -14.149 2.443 1.00 0.00 H new ATOM 0 HA GLN A 27 17.991 -15.642 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.910 -15.183 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.987 -16.284 2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 27 20.439 -14.564 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.457 -13.965 1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.204 -13.080 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 27 17.854 -11.587 4.165 1.00 0.00 H new ATOM 399 N CYS A 28 16.805 -17.798 1.439 1.00 0.00 N ATOM 400 CA CYS A 28 15.966 -18.979 1.504 1.00 0.00 C ATOM 401 C CYS A 28 16.848 -20.220 1.641 1.00 0.00 C ATOM 402 O CYS A 28 18.068 -20.150 1.476 1.00 0.00 O ATOM 403 CB CYS A 28 15.103 -19.001 0.233 1.00 0.00 C ATOM 404 SG CYS A 28 13.776 -20.214 0.318 1.00 0.00 S ATOM 0 H CYS A 28 17.697 -17.960 0.971 1.00 0.00 H new ATOM 0 HA CYS A 28 15.307 -18.966 2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.676 -18.011 0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 28 15.735 -19.220 -0.627 1.00 0.00 H new ATOM 0 HG CYS A 28 12.655 -19.613 0.586 1.00 0.00 H new ATOM 410 N SER A 29 16.225 -21.358 1.928 1.00 0.00 N ATOM 411 CA SER A 29 16.873 -22.651 2.083 1.00 0.00 C ATOM 412 C SER A 29 16.503 -23.589 0.921 1.00 0.00 C ATOM 413 O SER A 29 16.498 -24.812 1.085 1.00 0.00 O ATOM 414 CB SER A 29 16.512 -23.181 3.478 1.00 0.00 C ATOM 415 OG SER A 29 17.554 -23.984 3.983 1.00 0.00 O ATOM 0 H SER A 29 15.215 -21.404 2.064 1.00 0.00 H new ATOM 0 HA SER A 29 17.959 -22.573 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.327 -22.347 4.154 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.590 -23.760 3.427 1.00 0.00 H new ATOM 0 HG SER A 29 17.311 -24.314 4.873 1.00 0.00 H new ATOM 421 N ILE A 30 16.149 -23.027 -0.241 1.00 0.00 N ATOM 422 CA ILE A 30 15.971 -23.721 -1.513 1.00 0.00 C ATOM 423 C ILE A 30 16.533 -22.831 -2.616 1.00 0.00 C ATOM 424 O ILE A 30 16.614 -21.609 -2.459 1.00 0.00 O ATOM 425 CB ILE A 30 14.493 -24.075 -1.803 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.541 -22.884 -1.583 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.092 -25.301 -0.971 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.157 -23.036 -2.214 1.00 0.00 C ATOM 0 H ILE A 30 15.971 -22.026 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 30 16.503 -24.671 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 30 14.401 -24.321 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.420 -22.729 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.010 -21.985 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.051 -25.553 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.728 -26.145 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.212 -25.076 0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.562 -22.147 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.260 -23.157 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.661 -23.912 -1.796 1.00 0.00 H new ATOM 440 N GLU A 31 16.875 -23.440 -3.748 1.00 0.00 N ATOM 441 CA GLU A 31 17.258 -22.713 -4.943 1.00 0.00 C ATOM 442 C GLU A 31 16.048 -21.977 -5.501 1.00 0.00 C ATOM 443 O GLU A 31 14.938 -22.514 -5.531 1.00 0.00 O ATOM 444 CB GLU A 31 17.839 -23.693 -5.972 1.00 0.00 C ATOM 445 CG GLU A 31 18.437 -22.948 -7.170 1.00 0.00 C ATOM 446 CD GLU A 31 19.325 -23.832 -8.039 1.00 0.00 C ATOM 447 OE1 GLU A 31 18.952 -24.983 -8.364 1.00 0.00 O ATOM 448 OE2 GLU A 31 20.420 -23.376 -8.431 1.00 0.00 O ATOM 0 H GLU A 31 16.893 -24.454 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 31 18.024 -21.975 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.608 -24.306 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.057 -24.370 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.629 -22.544 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.019 -22.100 -6.810 1.00 0.00 H new ATOM 455 N MET A 32 16.288 -20.774 -6.018 1.00 0.00 N ATOM 456 CA MET A 32 15.335 -20.032 -6.810 1.00 0.00 C ATOM 457 C MET A 32 15.739 -20.101 -8.290 1.00 0.00 C ATOM 458 O MET A 32 16.426 -19.203 -8.785 1.00 0.00 O ATOM 459 CB MET A 32 15.211 -18.596 -6.302 1.00 0.00 C ATOM 460 CG MET A 32 14.533 -18.502 -4.938 1.00 0.00 C ATOM 461 SD MET A 32 14.030 -16.807 -4.560 1.00 0.00 S ATOM 462 CE MET A 32 15.648 -16.022 -4.393 1.00 0.00 C ATOM 0 H MET A 32 17.174 -20.285 -5.890 1.00 0.00 H new ATOM 0 HA MET A 32 14.346 -20.480 -6.713 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.204 -18.152 -6.239 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.644 -18.009 -7.024 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.660 -19.154 -4.919 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.215 -18.860 -4.167 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.562 -15.144 -3.753 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.350 -16.727 -3.949 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.009 -15.720 -5.376 1.00 0.00 H new ATOM 472 N PRO A 33 15.334 -21.140 -9.043 1.00 0.00 N ATOM 473 CA PRO A 33 15.495 -21.136 -10.493 1.00 0.00 C ATOM 474 C PRO A 33 14.721 -19.987 -11.154 1.00 0.00 C ATOM 475 O PRO A 33 15.092 -19.564 -12.250 1.00 0.00 O ATOM 476 CB PRO A 33 14.972 -22.489 -10.981 1.00 0.00 C ATOM 477 CG PRO A 33 14.031 -22.937 -9.872 1.00 0.00 C ATOM 478 CD PRO A 33 14.660 -22.356 -8.614 1.00 0.00 C ATOM 0 HA PRO A 33 16.541 -20.985 -10.760 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.451 -22.396 -11.934 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.783 -23.202 -11.129 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.020 -22.559 -10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.961 -24.023 -9.820 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.903 -22.140 -7.860 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.364 -23.058 -8.167 1.00 0.00 H new ATOM 486 N ASN A 34 13.665 -19.486 -10.505 1.00 0.00 N ATOM 487 CA ASN A 34 12.797 -18.425 -10.989 1.00 0.00 C ATOM 488 C ASN A 34 12.546 -17.466 -9.845 1.00 0.00 C ATOM 489 O ASN A 34 12.151 -17.905 -8.765 1.00 0.00 O ATOM 490 CB ASN A 34 11.434 -18.927 -11.525 1.00 0.00 C ATOM 491 CG ASN A 34 11.133 -20.407 -11.341 1.00 0.00 C ATOM 492 OD1 ASN A 34 11.624 -21.231 -12.109 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.353 -20.774 -10.335 1.00 0.00 N ATOM 0 H ASN A 34 13.385 -19.830 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 34 13.305 -17.950 -11.828 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.645 -18.356 -11.037 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.381 -18.698 -12.589 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.147 -21.761 -10.183 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.958 -20.069 -9.712 1.00 0.00 H new ATOM 500 N ILE A 35 12.676 -16.171 -10.120 1.00 0.00 N ATOM 501 CA ILE A 35 12.373 -15.055 -9.230 1.00 0.00 C ATOM 502 C ILE A 35 10.961 -15.143 -8.636 1.00 0.00 C ATOM 503 O ILE A 35 10.714 -14.652 -7.536 1.00 0.00 O ATOM 504 CB ILE A 35 12.608 -13.740 -10.013 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.520 -12.509 -9.093 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.665 -13.592 -11.227 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.211 -11.282 -9.698 1.00 0.00 C ATOM 0 H ILE A 35 13.017 -15.854 -11.027 1.00 0.00 H new ATOM 0 HA ILE A 35 13.038 -15.087 -8.367 1.00 0.00 H new ATOM 0 HB ILE A 35 13.623 -13.797 -10.406 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.473 -12.276 -8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.976 -12.743 -8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.875 -12.652 -11.738 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.824 -14.423 -11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.630 -13.597 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.122 -10.439 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.265 -11.504 -9.866 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.738 -11.029 -10.647 1.00 0.00 H new ATOM 519 N SER A 36 10.022 -15.801 -9.322 1.00 0.00 N ATOM 520 CA SER A 36 8.650 -15.933 -8.860 1.00 0.00 C ATOM 521 C SER A 36 8.541 -16.781 -7.578 1.00 0.00 C ATOM 522 O SER A 36 7.549 -16.639 -6.868 1.00 0.00 O ATOM 523 CB SER A 36 7.776 -16.445 -10.013 1.00 0.00 C ATOM 524 OG SER A 36 8.101 -15.755 -11.218 1.00 0.00 O ATOM 0 H SER A 36 10.200 -16.257 -10.217 1.00 0.00 H new ATOM 0 HA SER A 36 8.275 -14.953 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.927 -17.516 -10.146 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.723 -16.299 -9.774 1.00 0.00 H new ATOM 0 HG SER A 36 7.540 -16.090 -11.948 1.00 0.00 H new ATOM 530 N TYR A 37 9.572 -17.561 -7.207 1.00 0.00 N ATOM 531 CA TYR A 37 9.667 -18.152 -5.871 1.00 0.00 C ATOM 532 C TYR A 37 9.623 -17.066 -4.796 1.00 0.00 C ATOM 533 O TYR A 37 8.898 -17.227 -3.815 1.00 0.00 O ATOM 534 CB TYR A 37 10.962 -18.968 -5.721 1.00 0.00 C ATOM 535 CG TYR A 37 10.818 -20.454 -5.955 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.238 -21.259 -4.957 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.296 -21.044 -7.137 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.147 -22.649 -5.124 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.225 -22.440 -7.304 1.00 0.00 C ATOM 540 CZ TYR A 37 10.662 -23.251 -6.289 1.00 0.00 C ATOM 541 OH TYR A 37 10.599 -24.604 -6.425 1.00 0.00 O ATOM 0 H TYR A 37 10.352 -17.794 -7.821 1.00 0.00 H new ATOM 0 HA TYR A 37 8.813 -18.818 -5.743 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.702 -18.577 -6.419 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.357 -18.811 -4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.859 -20.803 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.718 -20.427 -7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.683 -23.256 -4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.601 -22.894 -8.209 1.00 0.00 H new ATOM 0 HH TYR A 37 10.994 -24.865 -7.283 1.00 0.00 H new ATOM 551 N ALA A 38 10.388 -15.980 -4.975 1.00 0.00 N ATOM 552 CA ALA A 38 10.444 -14.899 -4.005 1.00 0.00 C ATOM 553 C ALA A 38 9.075 -14.252 -3.920 1.00 0.00 C ATOM 554 O ALA A 38 8.524 -14.154 -2.829 1.00 0.00 O ATOM 555 CB ALA A 38 11.525 -13.876 -4.371 1.00 0.00 C ATOM 0 H ALA A 38 10.979 -15.835 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 38 10.715 -15.301 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.541 -13.081 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.497 -14.368 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.307 -13.451 -5.351 1.00 0.00 H new ATOM 561 N TRP A 39 8.516 -13.861 -5.070 1.00 0.00 N ATOM 562 CA TRP A 39 7.204 -13.235 -5.131 1.00 0.00 C ATOM 563 C TRP A 39 6.126 -14.075 -4.466 1.00 0.00 C ATOM 564 O TRP A 39 5.259 -13.474 -3.840 1.00 0.00 O ATOM 565 CB TRP A 39 6.788 -12.946 -6.568 1.00 0.00 C ATOM 566 CG TRP A 39 7.518 -11.828 -7.233 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.276 -11.942 -8.343 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.530 -10.408 -6.876 1.00 0.00 C ATOM 569 NE1 TRP A 39 8.719 -10.700 -8.729 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.285 -9.718 -7.869 1.00 0.00 C ATOM 571 CE3 TRP A 39 6.991 -9.625 -5.822 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.490 -8.337 -7.823 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.191 -8.228 -5.779 1.00 0.00 C ATOM 574 CH2 TRP A 39 7.926 -7.595 -6.787 1.00 0.00 C ATOM 0 H TRP A 39 8.964 -13.972 -5.979 1.00 0.00 H new ATOM 0 HA TRP A 39 7.299 -12.298 -4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 39 6.929 -13.851 -7.158 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.722 -12.720 -6.581 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.500 -12.868 -8.851 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.298 -10.528 -9.551 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.419 -10.105 -5.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.081 -7.848 -8.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.776 -7.648 -4.968 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.057 -6.523 -6.762 1.00 0.00 H new ATOM 585 N LYS A 40 6.168 -15.409 -4.587 1.00 0.00 N ATOM 586 CA LYS A 40 5.216 -16.293 -3.921 1.00 0.00 C ATOM 587 C LYS A 40 5.164 -15.937 -2.442 1.00 0.00 C ATOM 588 O LYS A 40 4.125 -15.478 -1.974 1.00 0.00 O ATOM 589 CB LYS A 40 5.593 -17.777 -4.107 1.00 0.00 C ATOM 590 CG LYS A 40 4.512 -18.611 -4.787 1.00 0.00 C ATOM 591 CD LYS A 40 4.458 -18.392 -6.303 1.00 0.00 C ATOM 592 CE LYS A 40 3.731 -19.579 -6.935 1.00 0.00 C ATOM 593 NZ LYS A 40 4.619 -20.746 -7.120 1.00 0.00 N ATOM 0 H LYS A 40 6.863 -15.900 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 40 4.233 -16.153 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.508 -17.838 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.812 -18.211 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.692 -19.667 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.543 -18.364 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.938 -17.462 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.465 -18.304 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.888 -19.863 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.322 -19.280 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.106 -21.495 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.454 -20.463 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.922 -21.102 -6.191 1.00 0.00 H new ATOM 607 N GLU A 41 6.276 -16.131 -1.735 1.00 0.00 N ATOM 608 CA GLU A 41 6.328 -15.988 -0.289 1.00 0.00 C ATOM 609 C GLU A 41 6.068 -14.523 0.086 1.00 0.00 C ATOM 610 O GLU A 41 5.260 -14.247 0.975 1.00 0.00 O ATOM 611 CB GLU A 41 7.685 -16.497 0.237 1.00 0.00 C ATOM 612 CG GLU A 41 7.540 -17.607 1.300 1.00 0.00 C ATOM 613 CD GLU A 41 7.287 -19.035 0.751 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.942 -19.222 -0.444 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.503 -20.017 1.504 1.00 0.00 O ATOM 0 H GLU A 41 7.168 -16.393 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 41 5.552 -16.593 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.274 -16.876 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.239 -15.662 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.446 -17.626 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.718 -17.342 1.965 1.00 0.00 H new ATOM 622 N LEU A 42 6.714 -13.577 -0.612 1.00 0.00 N ATOM 623 CA LEU A 42 6.567 -12.150 -0.360 1.00 0.00 C ATOM 624 C LEU A 42 5.109 -11.683 -0.450 1.00 0.00 C ATOM 625 O LEU A 42 4.677 -10.883 0.384 1.00 0.00 O ATOM 626 CB LEU A 42 7.461 -11.356 -1.343 1.00 0.00 C ATOM 627 CG LEU A 42 8.707 -10.609 -0.793 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.968 -10.684 0.718 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.970 -11.081 -1.509 1.00 0.00 C ATOM 0 H LEU A 42 7.358 -13.791 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 42 6.889 -11.958 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.806 -12.051 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.830 -10.620 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 42 8.464 -9.565 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.868 -10.119 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.119 -10.262 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.103 -11.725 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.834 -10.548 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.100 -12.152 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.879 -10.881 -2.577 1.00 0.00 H new ATOM 641 N LYS A 43 4.364 -12.131 -1.462 1.00 0.00 N ATOM 642 CA LYS A 43 2.956 -11.781 -1.644 1.00 0.00 C ATOM 643 C LYS A 43 2.067 -12.542 -0.665 1.00 0.00 C ATOM 644 O LYS A 43 0.956 -12.088 -0.385 1.00 0.00 O ATOM 645 CB LYS A 43 2.538 -12.064 -3.096 1.00 0.00 C ATOM 646 CG LYS A 43 3.068 -10.991 -4.068 1.00 0.00 C ATOM 647 CD LYS A 43 2.908 -11.419 -5.532 1.00 0.00 C ATOM 648 CE LYS A 43 3.495 -10.361 -6.478 1.00 0.00 C ATOM 649 NZ LYS A 43 3.263 -10.668 -7.909 1.00 0.00 N ATOM 0 H LYS A 43 4.726 -12.753 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 43 2.831 -10.718 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.912 -13.043 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.451 -12.105 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.534 -10.055 -3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.120 -10.799 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.408 -12.374 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.852 -11.570 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.057 -9.391 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.567 -10.277 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.711 -9.937 -8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.675 -11.596 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.241 -10.687 -8.099 1.00 0.00 H new ATOM 663 N GLU A 44 2.517 -13.681 -0.139 1.00 0.00 N ATOM 664 CA GLU A 44 1.727 -14.461 0.801 1.00 0.00 C ATOM 665 C GLU A 44 1.837 -13.898 2.215 1.00 0.00 C ATOM 666 O GLU A 44 0.864 -13.945 2.967 1.00 0.00 O ATOM 667 CB GLU A 44 2.138 -15.935 0.765 1.00 0.00 C ATOM 668 CG GLU A 44 0.906 -16.829 0.968 1.00 0.00 C ATOM 669 CD GLU A 44 1.200 -18.295 0.660 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.627 -19.020 1.589 1.00 0.00 O ATOM 671 OE2 GLU A 44 0.947 -18.722 -0.494 1.00 0.00 O ATOM 0 H GLU A 44 3.430 -14.082 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 44 0.682 -14.393 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.612 -16.166 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.875 -16.135 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.559 -16.738 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.096 -16.480 0.327 1.00 0.00 H new ATOM 678 N GLN A 45 2.996 -13.368 2.613 1.00 0.00 N ATOM 679 CA GLN A 45 3.102 -12.613 3.854 1.00 0.00 C ATOM 680 C GLN A 45 2.398 -11.259 3.730 1.00 0.00 C ATOM 681 O GLN A 45 1.542 -10.959 4.561 1.00 0.00 O ATOM 682 CB GLN A 45 4.579 -12.489 4.261 1.00 0.00 C ATOM 683 CG GLN A 45 5.065 -13.765 4.969 1.00 0.00 C ATOM 684 CD GLN A 45 4.821 -13.706 6.473 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.688 -13.530 6.914 1.00 0.00 O ATOM 686 NE2 GLN A 45 5.842 -13.876 7.292 1.00 0.00 N ATOM 0 H GLN A 45 3.869 -13.450 2.092 1.00 0.00 H new ATOM 0 HA GLN A 45 2.589 -13.148 4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.189 -12.305 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.707 -11.631 4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.551 -14.631 4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.129 -13.903 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.779 -14.021 6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.694 -13.862 8.301 1.00 0.00 H new ATOM 695 N LEU A 46 2.754 -10.430 2.740 1.00 0.00 N ATOM 696 CA LEU A 46 2.410 -9.001 2.766 1.00 0.00 C ATOM 697 C LEU A 46 1.134 -8.639 2.002 1.00 0.00 C ATOM 698 O LEU A 46 0.831 -7.452 1.842 1.00 0.00 O ATOM 699 CB LEU A 46 3.548 -8.155 2.193 1.00 0.00 C ATOM 700 CG LEU A 46 4.941 -8.362 2.800 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.777 -7.176 2.324 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.988 -8.428 4.328 1.00 0.00 C ATOM 0 H LEU A 46 3.278 -10.722 1.915 1.00 0.00 H new ATOM 0 HA LEU A 46 2.239 -8.785 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.612 -8.352 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.281 -7.105 2.308 1.00 0.00 H new ATOM 0 HG LEU A 46 5.311 -9.334 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.788 -7.260 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.815 -7.172 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.325 -6.248 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.017 -8.576 4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.606 -7.496 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.374 -9.259 4.675 1.00 0.00 H new ATOM 714 N GLY A 47 0.412 -9.617 1.465 1.00 0.00 N ATOM 715 CA GLY A 47 -0.692 -9.353 0.563 1.00 0.00 C ATOM 716 C GLY A 47 -0.191 -9.245 -0.871 1.00 0.00 C ATOM 717 O GLY A 47 0.935 -8.821 -1.149 1.00 0.00 O ATOM 0 H GLY A 47 0.578 -10.607 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.430 -10.151 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.192 -8.428 0.851 1.00 0.00 H new ATOM 721 N GLU A 48 -1.064 -9.611 -1.805 1.00 0.00 N ATOM 722 CA GLU A 48 -0.725 -9.912 -3.185 1.00 0.00 C ATOM 723 C GLU A 48 -0.486 -8.693 -4.067 1.00 0.00 C ATOM 724 O GLU A 48 -0.402 -8.811 -5.288 1.00 0.00 O ATOM 725 CB GLU A 48 -1.826 -10.793 -3.780 1.00 0.00 C ATOM 726 CG GLU A 48 -1.178 -12.009 -4.440 1.00 0.00 C ATOM 727 CD GLU A 48 -2.052 -12.583 -5.541 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.129 -13.131 -5.221 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.658 -12.496 -6.727 1.00 0.00 O ATOM 0 H GLU A 48 -2.061 -9.708 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 48 0.233 -10.432 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.518 -11.111 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.406 -10.230 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.210 -11.726 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.991 -12.775 -3.687 1.00 0.00 H new ATOM 736 N GLU A 49 -0.396 -7.522 -3.456 1.00 0.00 N ATOM 737 CA GLU A 49 -0.405 -6.220 -4.112 1.00 0.00 C ATOM 738 C GLU A 49 0.809 -5.359 -3.741 1.00 0.00 C ATOM 739 O GLU A 49 0.782 -4.132 -3.848 1.00 0.00 O ATOM 740 CB GLU A 49 -1.767 -5.570 -3.833 1.00 0.00 C ATOM 741 CG GLU A 49 -2.746 -6.070 -4.895 1.00 0.00 C ATOM 742 CD GLU A 49 -4.147 -5.476 -4.824 1.00 0.00 C ATOM 743 OE1 GLU A 49 -4.324 -4.329 -4.360 1.00 0.00 O ATOM 744 OE2 GLU A 49 -5.051 -6.130 -5.396 1.00 0.00 O ATOM 0 H GLU A 49 -0.311 -7.448 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.294 -6.333 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.119 -5.832 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.687 -4.484 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.329 -5.856 -5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.825 -7.154 -4.811 1.00 0.00 H new ATOM 751 N ILE A 50 1.887 -6.004 -3.297 1.00 0.00 N ATOM 752 CA ILE A 50 3.140 -5.347 -2.949 1.00 0.00 C ATOM 753 C ILE A 50 3.968 -4.936 -4.186 1.00 0.00 C ATOM 754 O ILE A 50 4.727 -3.968 -4.138 1.00 0.00 O ATOM 755 CB ILE A 50 3.896 -6.292 -1.988 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.045 -5.557 -1.274 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.384 -7.585 -2.673 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.533 -4.571 -0.213 1.00 0.00 C ATOM 0 H ILE A 50 1.911 -7.015 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 50 2.943 -4.398 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 50 3.176 -6.607 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.703 -6.287 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.642 -5.018 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.907 -8.207 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.529 -8.132 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.062 -7.331 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.380 -4.077 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.897 -3.824 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.959 -5.112 0.539 1.00 0.00 H new ATOM 770 N ASP A 51 3.840 -5.665 -5.302 1.00 0.00 N ATOM 771 CA ASP A 51 4.760 -5.652 -6.453 1.00 0.00 C ATOM 772 C ASP A 51 4.845 -4.267 -7.108 1.00 0.00 C ATOM 773 O ASP A 51 5.909 -3.872 -7.588 1.00 0.00 O ATOM 774 CB ASP A 51 4.257 -6.741 -7.418 1.00 0.00 C ATOM 775 CG ASP A 51 5.099 -7.228 -8.601 1.00 0.00 C ATOM 776 OD1 ASP A 51 5.949 -6.506 -9.178 1.00 0.00 O ATOM 777 OD2 ASP A 51 4.739 -8.330 -9.091 1.00 0.00 O ATOM 0 H ASP A 51 3.060 -6.308 -5.436 1.00 0.00 H new ATOM 0 HA ASP A 51 5.783 -5.865 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.030 -7.618 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.313 -6.385 -7.830 1.00 0.00 H new ATOM 782 N SER A 52 3.771 -3.478 -7.033 1.00 0.00 N ATOM 783 CA SER A 52 3.693 -2.104 -7.528 1.00 0.00 C ATOM 784 C SER A 52 4.735 -1.181 -6.876 1.00 0.00 C ATOM 785 O SER A 52 5.200 -0.223 -7.500 1.00 0.00 O ATOM 786 CB SER A 52 2.265 -1.565 -7.296 1.00 0.00 C ATOM 787 OG SER A 52 1.500 -2.350 -6.385 1.00 0.00 O ATOM 0 H SER A 52 2.898 -3.792 -6.609 1.00 0.00 H new ATOM 0 HA SER A 52 3.919 -2.116 -8.594 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.328 -0.544 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.743 -1.520 -8.252 1.00 0.00 H new ATOM 0 HG SER A 52 0.609 -1.955 -6.281 1.00 0.00 H new ATOM 793 N LYS A 53 5.116 -1.455 -5.622 1.00 0.00 N ATOM 794 CA LYS A 53 6.019 -0.602 -4.852 1.00 0.00 C ATOM 795 C LYS A 53 7.480 -0.983 -5.054 1.00 0.00 C ATOM 796 O LYS A 53 8.360 -0.201 -4.691 1.00 0.00 O ATOM 797 CB LYS A 53 5.681 -0.701 -3.358 1.00 0.00 C ATOM 798 CG LYS A 53 4.197 -0.440 -3.076 1.00 0.00 C ATOM 799 CD LYS A 53 3.951 -0.315 -1.575 1.00 0.00 C ATOM 800 CE LYS A 53 2.473 -0.482 -1.241 1.00 0.00 C ATOM 801 NZ LYS A 53 1.623 0.626 -1.708 1.00 0.00 N ATOM 0 H LYS A 53 4.802 -2.281 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 53 5.881 0.419 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.949 -1.693 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.285 0.017 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.880 0.473 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.595 -1.253 -3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.533 -1.068 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.297 0.658 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.114 -1.412 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.364 -0.579 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.634 0.440 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.938 1.514 -1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.696 0.707 -2.742 1.00 0.00 H new ATOM 815 N VAL A 54 7.772 -2.157 -5.606 1.00 0.00 N ATOM 816 CA VAL A 54 9.122 -2.703 -5.610 1.00 0.00 C ATOM 817 C VAL A 54 9.868 -2.219 -6.865 1.00 0.00 C ATOM 818 O VAL A 54 9.256 -1.911 -7.893 1.00 0.00 O ATOM 819 CB VAL A 54 9.007 -4.233 -5.440 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.375 -4.914 -5.547 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.384 -4.605 -4.084 1.00 0.00 C ATOM 0 H VAL A 54 7.081 -2.753 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 54 9.732 -2.347 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 54 8.361 -4.583 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.256 -5.990 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.809 -4.707 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.035 -4.529 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.319 -5.690 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.006 -4.215 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.385 -4.175 -4.012 1.00 0.00 H new ATOM 831 N LYS A 55 11.197 -2.104 -6.785 1.00 0.00 N ATOM 832 CA LYS A 55 12.063 -1.687 -7.894 1.00 0.00 C ATOM 833 C LYS A 55 12.609 -2.923 -8.620 1.00 0.00 C ATOM 834 O LYS A 55 11.999 -3.992 -8.573 1.00 0.00 O ATOM 835 CB LYS A 55 13.159 -0.735 -7.375 1.00 0.00 C ATOM 836 CG LYS A 55 12.604 0.521 -6.687 1.00 0.00 C ATOM 837 CD LYS A 55 11.914 1.499 -7.646 1.00 0.00 C ATOM 838 CE LYS A 55 12.877 2.352 -8.472 1.00 0.00 C ATOM 839 NZ LYS A 55 13.304 3.572 -7.760 1.00 0.00 N ATOM 0 H LYS A 55 11.713 -2.303 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 55 11.494 -1.123 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.794 -1.274 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.792 -0.433 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.893 0.218 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.420 1.037 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.274 0.935 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.265 2.159 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.755 1.759 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.397 2.632 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.955 4.115 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.471 4.154 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.787 3.308 -6.878 1.00 0.00 H new ATOM 853 N GLY A 56 13.702 -2.776 -9.371 1.00 0.00 N ATOM 854 CA GLY A 56 14.274 -3.830 -10.190 1.00 0.00 C ATOM 855 C GLY A 56 14.925 -4.886 -9.304 1.00 0.00 C ATOM 856 O GLY A 56 16.096 -4.737 -8.938 1.00 0.00 O ATOM 0 H GLY A 56 14.221 -1.899 -9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.497 -4.287 -10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.013 -3.410 -10.872 1.00 0.00 H new ATOM 860 N MET A 57 14.157 -5.889 -8.878 1.00 0.00 N ATOM 861 CA MET A 57 14.627 -6.957 -8.006 1.00 0.00 C ATOM 862 C MET A 57 15.743 -7.757 -8.685 1.00 0.00 C ATOM 863 O MET A 57 15.587 -8.198 -9.826 1.00 0.00 O ATOM 864 CB MET A 57 13.434 -7.833 -7.571 1.00 0.00 C ATOM 865 CG MET A 57 13.918 -9.055 -6.782 1.00 0.00 C ATOM 866 SD MET A 57 12.740 -10.097 -5.862 1.00 0.00 S ATOM 867 CE MET A 57 11.158 -9.737 -6.634 1.00 0.00 C ATOM 0 H MET A 57 13.174 -5.980 -9.136 1.00 0.00 H new ATOM 0 HA MET A 57 15.064 -6.532 -7.102 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.750 -7.246 -6.958 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.876 -8.158 -8.449 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.439 -9.705 -7.485 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.660 -8.701 -6.066 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.461 -10.550 -6.431 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.759 -8.807 -6.229 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.293 -9.636 -7.711 1.00 0.00 H new ATOM 877 N VAL A 58 16.849 -7.970 -7.970 1.00 0.00 N ATOM 878 CA VAL A 58 18.084 -8.538 -8.495 1.00 0.00 C ATOM 879 C VAL A 58 18.529 -9.731 -7.644 1.00 0.00 C ATOM 880 O VAL A 58 18.587 -9.669 -6.416 1.00 0.00 O ATOM 881 CB VAL A 58 19.164 -7.448 -8.664 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.912 -6.656 -9.957 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.263 -6.466 -7.486 1.00 0.00 C ATOM 0 H VAL A 58 16.908 -7.743 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 58 17.907 -8.931 -9.496 1.00 0.00 H new ATOM 0 HB VAL A 58 20.114 -7.981 -8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.678 -5.889 -10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.948 -7.332 -10.811 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.931 -6.184 -9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.046 -5.734 -7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.310 -5.952 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.504 -7.014 -6.575 1.00 0.00 H new ATOM 893 N PHE A 59 18.820 -10.854 -8.305 1.00 0.00 N ATOM 894 CA PHE A 59 19.377 -12.052 -7.688 1.00 0.00 C ATOM 895 C PHE A 59 20.722 -11.755 -7.036 1.00 0.00 C ATOM 896 O PHE A 59 21.651 -11.303 -7.712 1.00 0.00 O ATOM 897 CB PHE A 59 19.562 -13.153 -8.733 1.00 0.00 C ATOM 898 CG PHE A 59 18.395 -14.098 -8.873 1.00 0.00 C ATOM 899 CD1 PHE A 59 18.334 -15.239 -8.054 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.431 -13.899 -9.874 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.323 -16.188 -8.257 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.401 -14.838 -10.052 1.00 0.00 C ATOM 903 CZ PHE A 59 16.348 -15.987 -9.248 1.00 0.00 C ATOM 0 H PHE A 59 18.670 -10.954 -9.309 1.00 0.00 H new ATOM 0 HA PHE A 59 18.676 -12.386 -6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.752 -12.688 -9.700 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.450 -13.731 -8.477 1.00 0.00 H new ATOM 0 HD1 PHE A 59 19.064 -15.384 -7.271 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.481 -13.025 -10.507 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.293 -17.079 -7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.648 -14.675 -10.809 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.561 -16.713 -9.391 1.00 0.00 H new ATOM 913 N LEU A 60 20.840 -12.135 -5.765 1.00 0.00 N ATOM 914 CA LEU A 60 22.093 -12.207 -5.026 1.00 0.00 C ATOM 915 C LEU A 60 22.985 -13.320 -5.607 1.00 0.00 C ATOM 916 O LEU A 60 22.517 -14.194 -6.353 1.00 0.00 O ATOM 917 CB LEU A 60 21.775 -12.505 -3.545 1.00 0.00 C ATOM 918 CG LEU A 60 20.993 -11.428 -2.770 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.684 -11.922 -1.346 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.745 -10.096 -2.730 1.00 0.00 C ATOM 0 H LEU A 60 20.034 -12.411 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 60 22.626 -11.260 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.207 -13.434 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.716 -12.681 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 60 20.055 -11.252 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.131 -11.153 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.085 -12.831 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.617 -12.132 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.159 -9.364 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.709 -10.237 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.904 -9.737 -3.747 1.00 0.00 H new ATOM 932 N LYS A 61 24.257 -13.358 -5.211 1.00 0.00 N ATOM 933 CA LYS A 61 25.206 -14.414 -5.552 1.00 0.00 C ATOM 934 C LYS A 61 24.891 -15.677 -4.751 1.00 0.00 C ATOM 935 O LYS A 61 25.053 -15.672 -3.531 1.00 0.00 O ATOM 936 CB LYS A 61 26.615 -13.897 -5.214 1.00 0.00 C ATOM 937 CG LYS A 61 27.787 -14.794 -5.640 1.00 0.00 C ATOM 938 CD LYS A 61 28.028 -14.807 -7.154 1.00 0.00 C ATOM 939 CE LYS A 61 27.332 -15.979 -7.850 1.00 0.00 C ATOM 940 NZ LYS A 61 27.394 -15.842 -9.315 1.00 0.00 N ATOM 0 H LYS A 61 24.667 -12.631 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 61 25.141 -14.666 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.743 -12.921 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.675 -13.744 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.694 -14.456 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 61 27.596 -15.812 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.671 -13.871 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 61 29.099 -14.859 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.803 -16.915 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 61 26.291 -16.029 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.914 -16.650 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.923 -14.960 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.388 -15.819 -9.620 1.00 0.00 H new ATOM 954 N GLY A 62 24.506 -16.776 -5.403 1.00 0.00 N ATOM 955 CA GLY A 62 24.360 -18.080 -4.749 1.00 0.00 C ATOM 956 C GLY A 62 23.097 -18.831 -5.139 1.00 0.00 C ATOM 957 O GLY A 62 22.980 -20.011 -4.823 1.00 0.00 O ATOM 0 H GLY A 62 24.286 -16.788 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.226 -18.696 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.365 -17.935 -3.669 1.00 0.00 H new ATOM 961 N LYS A 63 22.175 -18.182 -5.854 1.00 0.00 N ATOM 962 CA LYS A 63 20.928 -18.724 -6.403 1.00 0.00 C ATOM 963 C LYS A 63 19.853 -19.011 -5.347 1.00 0.00 C ATOM 964 O LYS A 63 18.763 -19.442 -5.706 1.00 0.00 O ATOM 965 CB LYS A 63 21.227 -19.937 -7.310 1.00 0.00 C ATOM 966 CG LYS A 63 20.444 -19.916 -8.633 1.00 0.00 C ATOM 967 CD LYS A 63 21.298 -20.417 -9.810 1.00 0.00 C ATOM 968 CE LYS A 63 22.382 -19.405 -10.217 1.00 0.00 C ATOM 969 NZ LYS A 63 21.820 -18.276 -10.988 1.00 0.00 N ATOM 0 H LYS A 63 22.287 -17.194 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 63 20.483 -17.942 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.295 -19.964 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.989 -20.853 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.554 -20.538 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.103 -18.901 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.770 -21.361 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.652 -20.618 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.877 -19.024 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.143 -19.908 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 22.582 -17.616 -11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.370 -18.637 -11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.112 -17.780 -10.410 1.00 0.00 H new ATOM 983 N LEU A 64 20.118 -18.727 -4.072 1.00 0.00 N ATOM 984 CA LEU A 64 19.247 -19.014 -2.926 1.00 0.00 C ATOM 985 C LEU A 64 18.557 -17.735 -2.416 1.00 0.00 C ATOM 986 O LEU A 64 17.757 -17.780 -1.479 1.00 0.00 O ATOM 987 CB LEU A 64 20.103 -19.628 -1.799 1.00 0.00 C ATOM 988 CG LEU A 64 20.856 -20.915 -2.202 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.138 -21.088 -1.400 1.00 0.00 C ATOM 990 CD2 LEU A 64 19.983 -22.149 -2.016 1.00 0.00 C ATOM 0 H LEU A 64 20.986 -18.269 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 64 18.469 -19.711 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 64 20.828 -18.886 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.458 -19.849 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 64 21.109 -20.810 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.641 -22.004 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.795 -20.236 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.898 -21.148 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.542 -23.038 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.690 -22.233 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.091 -22.061 -2.637 1.00 0.00 H new ATOM 1002 N GLY A 65 18.880 -16.576 -2.999 1.00 0.00 N ATOM 1003 CA GLY A 65 18.556 -15.266 -2.437 1.00 0.00 C ATOM 1004 C GLY A 65 18.390 -14.189 -3.503 1.00 0.00 C ATOM 1005 O GLY A 65 18.862 -14.333 -4.639 1.00 0.00 O ATOM 0 H GLY A 65 19.380 -16.524 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.636 -15.342 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.344 -14.968 -1.746 1.00 0.00 H new ATOM 1009 N VAL A 66 17.763 -13.079 -3.136 1.00 0.00 N ATOM 1010 CA VAL A 66 17.466 -11.958 -4.019 1.00 0.00 C ATOM 1011 C VAL A 66 17.445 -10.691 -3.149 1.00 0.00 C ATOM 1012 O VAL A 66 17.355 -10.782 -1.924 1.00 0.00 O ATOM 1013 CB VAL A 66 16.156 -12.290 -4.779 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.890 -12.194 -3.924 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.974 -11.492 -6.064 1.00 0.00 C ATOM 0 H VAL A 66 17.436 -12.929 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 66 18.211 -11.777 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 66 16.289 -13.338 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.020 -12.442 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.960 -12.893 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.787 -11.179 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.036 -11.778 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.953 -10.427 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.803 -11.699 -6.741 1.00 0.00 H new ATOM 1025 N CYS A 67 17.538 -9.497 -3.727 1.00 0.00 N ATOM 1026 CA CYS A 67 17.331 -8.244 -3.008 1.00 0.00 C ATOM 1027 C CYS A 67 16.593 -7.256 -3.908 1.00 0.00 C ATOM 1028 O CYS A 67 16.521 -7.455 -5.125 1.00 0.00 O ATOM 1029 CB CYS A 67 18.672 -7.686 -2.500 1.00 0.00 C ATOM 1030 SG CYS A 67 19.851 -7.420 -3.855 1.00 0.00 S ATOM 0 H CYS A 67 17.761 -9.371 -4.714 1.00 0.00 H new ATOM 0 HA CYS A 67 16.711 -8.421 -2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.499 -6.744 -1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.102 -8.377 -1.775 1.00 0.00 H new ATOM 0 HG CYS A 67 20.963 -6.948 -3.376 1.00 0.00 H new ATOM 1036 N PHE A 68 16.026 -6.207 -3.313 1.00 0.00 N ATOM 1037 CA PHE A 68 15.420 -5.117 -4.062 1.00 0.00 C ATOM 1038 C PHE A 68 15.347 -3.853 -3.228 1.00 0.00 C ATOM 1039 O PHE A 68 15.383 -3.920 -2.002 1.00 0.00 O ATOM 1040 CB PHE A 68 14.023 -5.486 -4.559 1.00 0.00 C ATOM 1041 CG PHE A 68 13.063 -6.088 -3.562 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.331 -5.281 -2.677 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.820 -7.469 -3.610 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.309 -5.851 -1.898 1.00 0.00 C ATOM 1045 CE2 PHE A 68 11.786 -8.039 -2.855 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.009 -7.220 -2.021 1.00 0.00 C ATOM 0 H PHE A 68 15.976 -6.093 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 68 16.058 -4.933 -4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.563 -4.586 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.135 -6.189 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.552 -4.227 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.436 -8.099 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.754 -5.237 -1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.589 -9.099 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.179 -7.641 -1.473 1.00 0.00 H new ATOM 1056 N ASP A 69 15.203 -2.721 -3.909 1.00 0.00 N ATOM 1057 CA ASP A 69 15.135 -1.364 -3.378 1.00 0.00 C ATOM 1058 C ASP A 69 13.649 -1.014 -3.221 1.00 0.00 C ATOM 1059 O ASP A 69 12.849 -1.365 -4.095 1.00 0.00 O ATOM 1060 CB ASP A 69 15.822 -0.352 -4.327 1.00 0.00 C ATOM 1061 CG ASP A 69 17.099 -0.856 -5.019 1.00 0.00 C ATOM 1062 OD1 ASP A 69 18.189 -0.851 -4.405 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.006 -1.271 -6.206 1.00 0.00 O ATOM 0 H ASP A 69 15.125 -2.729 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 69 15.657 -1.311 -2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.106 -0.056 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.068 0.544 -3.758 1.00 0.00 H new ATOM 1068 N VAL A 70 13.247 -0.345 -2.132 1.00 0.00 N ATOM 1069 CA VAL A 70 11.841 -0.020 -1.863 1.00 0.00 C ATOM 1070 C VAL A 70 11.704 1.330 -1.144 1.00 0.00 C ATOM 1071 O VAL A 70 12.672 1.805 -0.546 1.00 0.00 O ATOM 1072 CB VAL A 70 11.139 -1.165 -1.087 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.387 -2.103 -2.038 1.00 0.00 C ATOM 1074 CG2 VAL A 70 12.089 -2.024 -0.241 1.00 0.00 C ATOM 0 H VAL A 70 13.889 -0.014 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 70 11.333 0.078 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 70 10.452 -0.653 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.906 -2.895 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.630 -1.539 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.090 -2.544 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.520 -2.801 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.835 -2.486 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.588 -1.396 0.497 1.00 0.00 H new ATOM 1084 N PRO A 71 10.521 1.975 -1.214 1.00 0.00 N ATOM 1085 CA PRO A 71 10.324 3.304 -0.660 1.00 0.00 C ATOM 1086 C PRO A 71 10.418 3.319 0.857 1.00 0.00 C ATOM 1087 O PRO A 71 9.983 2.403 1.555 1.00 0.00 O ATOM 1088 CB PRO A 71 8.949 3.784 -1.127 1.00 0.00 C ATOM 1089 CG PRO A 71 8.229 2.498 -1.497 1.00 0.00 C ATOM 1090 CD PRO A 71 9.339 1.566 -1.960 1.00 0.00 C ATOM 0 HA PRO A 71 11.114 3.969 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.424 4.325 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.028 4.459 -1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.691 2.084 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.495 2.665 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.088 0.525 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.503 1.652 -3.034 1.00 0.00 H new ATOM 1098 N THR A 72 10.903 4.447 1.356 1.00 0.00 N ATOM 1099 CA THR A 72 11.216 4.733 2.747 1.00 0.00 C ATOM 1100 C THR A 72 10.039 4.476 3.691 1.00 0.00 C ATOM 1101 O THR A 72 10.245 4.062 4.828 1.00 0.00 O ATOM 1102 CB THR A 72 11.656 6.206 2.829 1.00 0.00 C ATOM 1103 OG1 THR A 72 12.325 6.605 1.641 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.591 6.430 4.010 1.00 0.00 C ATOM 0 H THR A 72 11.102 5.245 0.753 1.00 0.00 H new ATOM 0 HA THR A 72 12.009 4.060 3.072 1.00 0.00 H new ATOM 0 HB THR A 72 10.753 6.803 2.958 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.043 5.969 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 72 12.887 7.478 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.078 6.166 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.477 5.806 3.896 1.00 0.00 H new ATOM 1112 N ALA A 73 8.808 4.713 3.235 1.00 0.00 N ATOM 1113 CA ALA A 73 7.637 4.493 4.067 1.00 0.00 C ATOM 1114 C ALA A 73 7.141 3.049 3.993 1.00 0.00 C ATOM 1115 O ALA A 73 6.551 2.563 4.959 1.00 0.00 O ATOM 1116 CB ALA A 73 6.553 5.476 3.655 1.00 0.00 C ATOM 0 H ALA A 73 8.602 5.056 2.297 1.00 0.00 H new ATOM 0 HA ALA A 73 7.908 4.664 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.668 5.321 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.916 6.495 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.297 5.317 2.607 1.00 0.00 H new ATOM 1122 N SER A 74 7.376 2.336 2.887 1.00 0.00 N ATOM 1123 CA SER A 74 7.002 0.924 2.805 1.00 0.00 C ATOM 1124 C SER A 74 7.941 0.046 3.623 1.00 0.00 C ATOM 1125 O SER A 74 7.573 -1.085 3.929 1.00 0.00 O ATOM 1126 CB SER A 74 6.916 0.443 1.362 1.00 0.00 C ATOM 1127 OG SER A 74 5.919 1.204 0.709 1.00 0.00 O ATOM 0 H SER A 74 7.818 2.709 2.047 1.00 0.00 H new ATOM 0 HA SER A 74 6.006 0.835 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.877 0.564 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.670 -0.618 1.328 1.00 0.00 H new ATOM 0 HG SER A 74 5.052 0.756 0.802 1.00 0.00 H new ATOM 1133 N VAL A 75 9.069 0.593 4.102 1.00 0.00 N ATOM 1134 CA VAL A 75 9.877 -0.024 5.153 1.00 0.00 C ATOM 1135 C VAL A 75 8.946 -0.532 6.252 1.00 0.00 C ATOM 1136 O VAL A 75 8.970 -1.714 6.608 1.00 0.00 O ATOM 1137 CB VAL A 75 10.928 0.973 5.695 1.00 0.00 C ATOM 1138 CG1 VAL A 75 11.747 0.402 6.861 1.00 0.00 C ATOM 1139 CG2 VAL A 75 11.898 1.430 4.597 1.00 0.00 C ATOM 0 H VAL A 75 9.444 1.480 3.766 1.00 0.00 H new ATOM 0 HA VAL A 75 10.433 -0.870 4.748 1.00 0.00 H new ATOM 0 HB VAL A 75 10.352 1.824 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.468 1.147 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.079 0.144 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.277 -0.491 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.620 2.129 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.423 0.565 4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.340 1.921 3.800 1.00 0.00 H new ATOM 1149 N THR A 76 8.067 0.365 6.701 1.00 0.00 N ATOM 1150 CA THR A 76 7.130 0.168 7.780 1.00 0.00 C ATOM 1151 C THR A 76 5.825 -0.513 7.335 1.00 0.00 C ATOM 1152 O THR A 76 4.888 -0.630 8.121 1.00 0.00 O ATOM 1153 CB THR A 76 6.863 1.549 8.422 1.00 0.00 C ATOM 1154 OG1 THR A 76 7.908 2.482 8.192 1.00 0.00 O ATOM 1155 CG2 THR A 76 6.725 1.414 9.926 1.00 0.00 C ATOM 0 H THR A 76 7.995 1.296 6.291 1.00 0.00 H new ATOM 0 HA THR A 76 7.565 -0.518 8.507 1.00 0.00 H new ATOM 0 HB THR A 76 5.947 1.913 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.684 3.335 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.537 2.394 10.364 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.893 0.748 10.157 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.645 1.002 10.340 1.00 0.00 H new ATOM 1163 N GLU A 77 5.714 -0.966 6.087 1.00 0.00 N ATOM 1164 CA GLU A 77 4.734 -1.974 5.696 1.00 0.00 C ATOM 1165 C GLU A 77 5.330 -3.353 5.951 1.00 0.00 C ATOM 1166 O GLU A 77 4.739 -4.182 6.646 1.00 0.00 O ATOM 1167 CB GLU A 77 4.288 -1.824 4.250 1.00 0.00 C ATOM 1168 CG GLU A 77 3.486 -0.558 3.945 1.00 0.00 C ATOM 1169 CD GLU A 77 3.105 -0.489 2.460 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.199 -1.256 2.047 1.00 0.00 O ATOM 1171 OE2 GLU A 77 3.708 0.317 1.714 1.00 0.00 O ATOM 0 H GLU A 77 6.302 -0.643 5.319 1.00 0.00 H new ATOM 0 HA GLU A 77 3.835 -1.839 6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.171 -1.839 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.685 -2.691 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.584 -0.539 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.072 0.321 4.214 1.00 0.00 H new ATOM 1178 N ILE A 78 6.508 -3.606 5.385 1.00 0.00 N ATOM 1179 CA ILE A 78 7.026 -4.961 5.269 1.00 0.00 C ATOM 1180 C ILE A 78 7.479 -5.452 6.638 1.00 0.00 C ATOM 1181 O ILE A 78 7.124 -6.554 7.053 1.00 0.00 O ATOM 1182 CB ILE A 78 8.162 -5.003 4.228 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.708 -4.414 2.863 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.677 -6.449 4.093 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.688 -3.376 2.309 1.00 0.00 C ATOM 0 H ILE A 78 7.120 -2.887 5.000 1.00 0.00 H new ATOM 0 HA ILE A 78 6.242 -5.633 4.919 1.00 0.00 H new ATOM 0 HB ILE A 78 8.983 -4.374 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.598 -5.224 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.726 -3.955 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.481 -6.482 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.053 -6.793 5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.862 -7.097 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.319 -3.000 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.780 -2.550 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.664 -3.839 2.163 1.00 0.00 H new ATOM 1197 N GLN A 79 8.227 -4.625 7.367 1.00 0.00 N ATOM 1198 CA GLN A 79 8.739 -5.003 8.678 1.00 0.00 C ATOM 1199 C GLN A 79 7.601 -5.061 9.714 1.00 0.00 C ATOM 1200 O GLN A 79 7.845 -5.431 10.863 1.00 0.00 O ATOM 1201 CB GLN A 79 9.825 -4.017 9.126 1.00 0.00 C ATOM 1202 CG GLN A 79 11.052 -4.041 8.220 1.00 0.00 C ATOM 1203 CD GLN A 79 12.145 -4.947 8.738 1.00 0.00 C ATOM 1204 OE1 GLN A 79 12.565 -4.899 9.891 1.00 0.00 O ATOM 1205 NE2 GLN A 79 12.691 -5.783 7.887 1.00 0.00 N ATOM 0 H GLN A 79 8.491 -3.686 7.068 1.00 0.00 H new ATOM 0 HA GLN A 79 9.179 -5.998 8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.410 -3.009 9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.127 -4.254 10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.756 -4.369 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.443 -3.029 8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.349 -5.830 6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.458 -6.386 8.185 1.00 0.00 H new ATOM 1214 N GLU A 80 6.366 -4.693 9.355 1.00 0.00 N ATOM 1215 CA GLU A 80 5.179 -4.827 10.185 1.00 0.00 C ATOM 1216 C GLU A 80 4.361 -6.081 9.829 1.00 0.00 C ATOM 1217 O GLU A 80 3.360 -6.353 10.496 1.00 0.00 O ATOM 1218 CB GLU A 80 4.322 -3.571 9.985 1.00 0.00 C ATOM 1219 CG GLU A 80 4.586 -2.471 11.020 1.00 0.00 C ATOM 1220 CD GLU A 80 3.247 -1.976 11.554 1.00 0.00 C ATOM 1221 OE1 GLU A 80 2.582 -1.134 10.902 1.00 0.00 O ATOM 1222 OE2 GLU A 80 2.755 -2.534 12.556 1.00 0.00 O ATOM 0 H GLU A 80 6.166 -4.280 8.444 1.00 0.00 H new ATOM 0 HA GLU A 80 5.485 -4.934 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.507 -3.171 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.269 -3.850 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.199 -2.857 11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.140 -1.649 10.566 1.00 0.00 H new ATOM 1229 N LYS A 81 4.739 -6.837 8.788 1.00 0.00 N ATOM 1230 CA LYS A 81 3.946 -7.951 8.272 1.00 0.00 C ATOM 1231 C LYS A 81 4.794 -9.143 7.811 1.00 0.00 C ATOM 1232 O LYS A 81 4.232 -10.077 7.241 1.00 0.00 O ATOM 1233 CB LYS A 81 3.017 -7.421 7.162 1.00 0.00 C ATOM 1234 CG LYS A 81 1.794 -6.697 7.745 1.00 0.00 C ATOM 1235 CD LYS A 81 0.623 -6.622 6.764 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.176 -7.927 6.759 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.481 -7.758 6.099 1.00 0.00 N ATOM 0 H LYS A 81 5.611 -6.688 8.280 1.00 0.00 H new ATOM 0 HA LYS A 81 3.344 -8.353 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.572 -6.739 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.686 -8.251 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.471 -7.211 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.081 -5.687 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.030 -5.793 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.997 -6.417 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.394 -8.702 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.327 -8.267 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.997 -8.661 6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.034 -7.036 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.336 -7.458 5.114 1.00 0.00 H new ATOM 1251 N TRP A 82 6.102 -9.168 8.067 1.00 0.00 N ATOM 1252 CA TRP A 82 6.905 -10.367 7.889 1.00 0.00 C ATOM 1253 C TRP A 82 7.648 -10.654 9.183 1.00 0.00 C ATOM 1254 O TRP A 82 8.356 -9.771 9.681 1.00 0.00 O ATOM 1255 CB TRP A 82 7.876 -10.220 6.717 1.00 0.00 C ATOM 1256 CG TRP A 82 8.629 -11.485 6.454 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.526 -12.048 7.295 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.598 -12.352 5.282 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.946 -13.251 6.791 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.440 -13.471 5.540 1.00 0.00 C ATOM 1261 CE3 TRP A 82 8.002 -12.285 4.007 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.692 -14.468 4.599 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 8.227 -13.297 3.055 1.00 0.00 C ATOM 1264 CH2 TRP A 82 9.092 -14.366 3.337 1.00 0.00 C ATOM 0 H TRP A 82 6.628 -8.360 8.401 1.00 0.00 H new ATOM 0 HA TRP A 82 6.250 -11.205 7.651 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.324 -9.934 5.822 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.580 -9.415 6.928 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.861 -11.614 8.225 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.558 -13.900 7.286 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.366 -11.449 3.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.336 -15.301 4.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.729 -13.251 2.098 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.295 -15.110 2.581 1.00 0.00 H new ATOM 1275 N HIS A 83 7.600 -11.904 9.654 1.00 0.00 N ATOM 1276 CA HIS A 83 8.428 -12.394 10.749 1.00 0.00 C ATOM 1277 C HIS A 83 8.820 -13.849 10.494 1.00 0.00 C ATOM 1278 O HIS A 83 8.084 -14.751 10.887 1.00 0.00 O ATOM 1279 CB HIS A 83 7.685 -12.247 12.077 1.00 0.00 C ATOM 1280 CG HIS A 83 7.424 -10.817 12.462 1.00 0.00 C ATOM 1281 ND1 HIS A 83 6.211 -10.174 12.396 1.00 0.00 N ATOM 1282 CD2 HIS A 83 8.355 -9.903 12.864 1.00 0.00 C ATOM 1283 CE1 HIS A 83 6.402 -8.894 12.751 1.00 0.00 C ATOM 1284 NE2 HIS A 83 7.696 -8.684 13.059 1.00 0.00 N ATOM 0 H HIS A 83 6.972 -12.613 9.275 1.00 0.00 H new ATOM 0 HA HIS A 83 9.340 -11.800 10.806 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.735 -12.777 12.013 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.266 -12.727 12.865 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.410 -10.087 13.006 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.629 -8.141 12.785 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.114 -7.808 13.373 1.00 0.00 H new ATOM 1292 N ASP A 84 9.971 -14.078 9.856 1.00 0.00 N ATOM 1293 CA ASP A 84 10.468 -15.376 9.363 1.00 0.00 C ATOM 1294 C ASP A 84 9.483 -16.097 8.432 1.00 0.00 C ATOM 1295 O ASP A 84 8.393 -15.601 8.155 1.00 0.00 O ATOM 1296 CB ASP A 84 11.121 -16.249 10.456 1.00 0.00 C ATOM 1297 CG ASP A 84 10.349 -17.463 11.007 1.00 0.00 C ATOM 1298 OD1 ASP A 84 10.455 -18.574 10.440 1.00 0.00 O ATOM 1299 OD2 ASP A 84 9.804 -17.371 12.136 1.00 0.00 O ATOM 0 H ASP A 84 10.624 -13.320 9.655 1.00 0.00 H new ATOM 0 HA ASP A 84 11.306 -15.142 8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.069 -16.614 10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.356 -15.599 11.299 1.00 0.00 H new ATOM 1304 N SER A 85 9.911 -17.219 7.869 1.00 0.00 N ATOM 1305 CA SER A 85 9.011 -18.250 7.400 1.00 0.00 C ATOM 1306 C SER A 85 9.770 -19.575 7.427 1.00 0.00 C ATOM 1307 O SER A 85 11.001 -19.623 7.546 1.00 0.00 O ATOM 1308 CB SER A 85 8.471 -17.916 6.006 1.00 0.00 C ATOM 1309 OG SER A 85 7.404 -18.777 5.688 1.00 0.00 O ATOM 0 H SER A 85 10.898 -17.435 7.727 1.00 0.00 H new ATOM 0 HA SER A 85 8.137 -18.322 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.135 -16.879 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.264 -18.016 5.265 1.00 0.00 H new ATOM 0 HG SER A 85 7.061 -18.558 4.796 1.00 0.00 H new ATOM 1315 N ARG A 86 9.031 -20.669 7.268 1.00 0.00 N ATOM 1316 CA ARG A 86 9.484 -22.043 7.454 1.00 0.00 C ATOM 1317 C ARG A 86 10.722 -22.391 6.623 1.00 0.00 C ATOM 1318 O ARG A 86 11.503 -23.259 7.037 1.00 0.00 O ATOM 1319 CB ARG A 86 8.295 -22.937 7.136 1.00 0.00 C ATOM 1320 CG ARG A 86 8.476 -24.391 7.574 1.00 0.00 C ATOM 1321 CD ARG A 86 7.277 -25.200 7.090 1.00 0.00 C ATOM 1322 NE ARG A 86 6.003 -24.779 7.692 1.00 0.00 N ATOM 1323 CZ ARG A 86 5.491 -25.155 8.867 1.00 0.00 C ATOM 1324 NH1 ARG A 86 6.169 -25.950 9.686 1.00 0.00 N ATOM 1325 NH2 ARG A 86 4.280 -24.740 9.214 1.00 0.00 N ATOM 0 H ARG A 86 8.050 -20.618 6.992 1.00 0.00 H new ATOM 0 HA ARG A 86 9.815 -22.191 8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.408 -22.530 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.112 -22.912 6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.399 -24.798 7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.559 -24.451 8.659 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.204 -25.113 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.445 -26.253 7.314 1.00 0.00 H new ATOM 0 HE ARG A 86 5.444 -24.122 7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.096 -26.283 9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.763 -26.227 10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.747 -24.139 8.585 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.881 -25.022 10.109 1.00 0.00 H new ATOM 1339 N ARG A 87 10.912 -21.723 5.481 1.00 0.00 N ATOM 1340 CA ARG A 87 12.035 -21.926 4.568 1.00 0.00 C ATOM 1341 C ARG A 87 12.720 -20.620 4.151 1.00 0.00 C ATOM 1342 O ARG A 87 13.657 -20.668 3.354 1.00 0.00 O ATOM 1343 CB ARG A 87 11.495 -22.748 3.386 1.00 0.00 C ATOM 1344 CG ARG A 87 12.572 -23.394 2.512 1.00 0.00 C ATOM 1345 CD ARG A 87 11.932 -24.460 1.613 1.00 0.00 C ATOM 1346 NE ARG A 87 12.476 -25.792 1.911 1.00 0.00 N ATOM 1347 CZ ARG A 87 11.943 -26.724 2.697 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.719 -26.585 3.196 1.00 0.00 N ATOM 1349 NH2 ARG A 87 12.672 -27.794 2.970 1.00 0.00 N ATOM 0 H ARG A 87 10.266 -21.003 5.158 1.00 0.00 H new ATOM 0 HA ARG A 87 12.838 -22.471 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.843 -23.531 3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.880 -22.100 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.063 -22.636 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.341 -23.846 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.852 -24.463 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.112 -24.215 0.566 1.00 0.00 H new ATOM 0 HE ARG A 87 13.362 -26.029 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.171 -25.753 2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.328 -27.311 3.797 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.611 -27.884 2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.295 -28.528 3.569 1.00 0.00 H new ATOM 1363 N TRP A 88 12.282 -19.461 4.649 1.00 0.00 N ATOM 1364 CA TRP A 88 12.739 -18.156 4.179 1.00 0.00 C ATOM 1365 C TRP A 88 13.152 -17.294 5.357 1.00 0.00 C ATOM 1366 O TRP A 88 12.558 -17.382 6.433 1.00 0.00 O ATOM 1367 CB TRP A 88 11.636 -17.461 3.378 1.00 0.00 C ATOM 1368 CG TRP A 88 11.229 -18.142 2.115 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.542 -19.297 2.026 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.439 -17.715 0.745 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.341 -19.628 0.705 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.924 -18.708 -0.137 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.011 -16.572 0.167 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.049 -18.599 -1.528 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.173 -16.460 -1.220 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.721 -17.487 -2.058 1.00 0.00 C ATOM 0 H TRP A 88 11.592 -19.404 5.398 1.00 0.00 H new ATOM 0 HA TRP A 88 13.601 -18.302 3.528 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.757 -17.361 4.015 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.969 -16.452 3.134 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.199 -19.879 2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.826 -20.450 0.390 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.333 -15.762 0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.637 -19.355 -2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.645 -15.585 -1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.891 -17.423 -3.123 1.00 0.00 H new ATOM 1387 N GLN A 89 14.146 -16.436 5.150 1.00 0.00 N ATOM 1388 CA GLN A 89 14.588 -15.468 6.133 1.00 0.00 C ATOM 1389 C GLN A 89 14.742 -14.124 5.442 1.00 0.00 C ATOM 1390 O GLN A 89 15.356 -13.994 4.376 1.00 0.00 O ATOM 1391 CB GLN A 89 15.880 -15.913 6.815 1.00 0.00 C ATOM 1392 CG GLN A 89 15.625 -17.009 7.866 1.00 0.00 C ATOM 1393 CD GLN A 89 15.863 -18.398 7.299 1.00 0.00 C ATOM 1394 OE1 GLN A 89 17.004 -18.742 6.992 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.820 -19.194 7.138 1.00 0.00 N ATOM 0 H GLN A 89 14.673 -16.398 4.277 1.00 0.00 H new ATOM 0 HA GLN A 89 13.846 -15.382 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.578 -16.285 6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.353 -15.055 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.278 -16.849 8.724 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.600 -16.935 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.889 -18.874 7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.947 -20.128 6.748 1.00 0.00 H new ATOM 1404 N LEU A 90 14.129 -13.135 6.072 1.00 0.00 N ATOM 1405 CA LEU A 90 14.106 -11.752 5.652 1.00 0.00 C ATOM 1406 C LEU A 90 15.230 -11.015 6.332 1.00 0.00 C ATOM 1407 O LEU A 90 15.887 -11.524 7.246 1.00 0.00 O ATOM 1408 CB LEU A 90 12.747 -11.134 6.028 1.00 0.00 C ATOM 1409 CG LEU A 90 11.776 -10.944 4.865 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.758 -9.598 4.161 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.816 -12.092 3.857 1.00 0.00 C ATOM 0 H LEU A 90 13.608 -13.288 6.935 1.00 0.00 H new ATOM 0 HA LEU A 90 14.238 -11.680 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.272 -11.768 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.923 -10.165 6.496 1.00 0.00 H new ATOM 0 HG LEU A 90 10.823 -10.959 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.020 -9.616 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.498 -8.817 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.743 -9.393 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.104 -11.897 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.819 -12.174 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.554 -13.024 4.357 1.00 0.00 H new ATOM 1423 N SER A 91 15.388 -9.787 5.866 1.00 0.00 N ATOM 1424 CA SER A 91 16.328 -8.801 6.385 1.00 0.00 C ATOM 1425 C SER A 91 16.309 -7.549 5.510 1.00 0.00 C ATOM 1426 O SER A 91 15.578 -7.481 4.520 1.00 0.00 O ATOM 1427 CB SER A 91 17.743 -9.385 6.545 1.00 0.00 C ATOM 1428 OG SER A 91 18.116 -10.254 5.500 1.00 0.00 O ATOM 0 H SER A 91 14.842 -9.432 5.081 1.00 0.00 H new ATOM 0 HA SER A 91 16.010 -8.514 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.461 -8.567 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.800 -9.923 7.491 1.00 0.00 H new ATOM 0 HG SER A 91 19.069 -10.468 5.577 1.00 0.00 H new ATOM 1434 N VAL A 92 17.065 -6.529 5.913 1.00 0.00 N ATOM 1435 CA VAL A 92 17.023 -5.171 5.401 1.00 0.00 C ATOM 1436 C VAL A 92 18.447 -4.646 5.398 1.00 0.00 C ATOM 1437 O VAL A 92 19.225 -4.962 6.308 1.00 0.00 O ATOM 1438 CB VAL A 92 16.085 -4.354 6.304 1.00 0.00 C ATOM 1439 CG1 VAL A 92 16.159 -2.841 6.182 1.00 0.00 C ATOM 1440 CG2 VAL A 92 14.658 -4.671 5.889 1.00 0.00 C ATOM 0 H VAL A 92 17.762 -6.641 6.649 1.00 0.00 H new ATOM 0 HA VAL A 92 16.636 -5.108 4.384 1.00 0.00 H new ATOM 0 HB VAL A 92 16.386 -4.629 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 92 15.448 -2.385 6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.167 -2.505 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.915 -2.546 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 92 13.964 -4.106 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 92 14.514 -4.397 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 92 14.471 -5.738 6.013 1.00 0.00 H new ATOM 1450 N ALA A 93 18.756 -3.826 4.398 1.00 0.00 N ATOM 1451 CA ALA A 93 19.944 -2.997 4.399 1.00 0.00 C ATOM 1452 C ALA A 93 19.679 -1.882 5.396 1.00 0.00 C ATOM 1453 O ALA A 93 18.835 -1.013 5.171 1.00 0.00 O ATOM 1454 CB ALA A 93 20.213 -2.427 3.011 1.00 0.00 C ATOM 0 H ALA A 93 18.182 -3.722 3.562 1.00 0.00 H new ATOM 0 HA ALA A 93 20.826 -3.575 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.110 -1.809 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.358 -3.244 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.364 -1.820 2.696 1.00 0.00 H new ATOM 1460 N THR A 94 20.327 -1.953 6.548 1.00 0.00 N ATOM 1461 CA THR A 94 20.283 -0.881 7.524 1.00 0.00 C ATOM 1462 C THR A 94 21.084 0.330 7.020 1.00 0.00 C ATOM 1463 O THR A 94 20.691 1.470 7.274 1.00 0.00 O ATOM 1464 CB THR A 94 20.735 -1.424 8.891 1.00 0.00 C ATOM 1465 OG1 THR A 94 21.453 -2.653 8.806 1.00 0.00 O ATOM 1466 CG2 THR A 94 19.475 -1.700 9.712 1.00 0.00 C ATOM 0 H THR A 94 20.895 -2.752 6.830 1.00 0.00 H new ATOM 0 HA THR A 94 19.265 -0.515 7.659 1.00 0.00 H new ATOM 0 HB THR A 94 21.397 -0.680 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.713 -2.943 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 94 19.756 -2.088 10.691 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.912 -0.775 9.836 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.857 -2.434 9.195 1.00 0.00 H new ATOM 1474 N GLU A 95 22.102 0.076 6.199 1.00 0.00 N ATOM 1475 CA GLU A 95 22.974 1.030 5.529 1.00 0.00 C ATOM 1476 C GLU A 95 23.693 1.943 6.521 1.00 0.00 C ATOM 1477 O GLU A 95 24.328 2.913 6.059 1.00 0.00 O ATOM 1478 CB GLU A 95 22.163 1.753 4.433 1.00 0.00 C ATOM 1479 CG GLU A 95 22.960 2.150 3.177 1.00 0.00 C ATOM 1480 CD GLU A 95 23.442 0.963 2.336 1.00 0.00 C ATOM 1481 OE1 GLU A 95 22.692 -0.017 2.153 1.00 0.00 O ATOM 1482 OE2 GLU A 95 24.575 1.005 1.795 1.00 0.00 O ATOM 0 H GLU A 95 22.356 -0.885 5.968 1.00 0.00 H new ATOM 0 HA GLU A 95 23.794 0.515 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.338 1.109 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.724 2.653 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.338 2.793 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 95 23.825 2.740 3.481 1.00 0.00 H new TER 1489 GLU A 95