USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 808 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 14 ASN :FLIP amide:sc= -0.0778 F(o=-1.2,f=-0.078) USER MOD Set 1.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 CYS SG : rot -176:sc= -5.6! USER MOD Set 2.2: A 62 TYR OH : rot -30:sc= -0.0795 USER MOD Single : A 4 TYR OH : rot 87:sc= -1.8 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 78:sc= 0.389 USER MOD Single : A 13 ASN : amide:sc= -0.105 K(o=-0.1,f=-1) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.57 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -115:sc= 1.51 (180deg=-1.1) USER MOD Single : A 25 SER OG : rot 83:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0177) USER MOD Single : A 36 SER OG : rot -170:sc= -2.49 USER MOD Single : A 40 THR OG1 : rot 8:sc= 0.252! USER MOD Single : A 41 THR OG1 : rot 150:sc= 0.297 USER MOD Single : A 43 SER OG : rot 180:sc= -0.764 USER MOD Single : A 47 SER OG : rot 91:sc= 1.19 USER MOD Single : A 51 SER OG : rot 100:sc= 1.09 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.131 F(o=-0.65,f=-0.13) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00832) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.355 K(o=0.35,f=-0.49) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -3.66 X(o=-3.7,f=-4.1!) USER MOD Single : A 70 SER OG : rot 120:sc= -1.45 USER MOD Single : A 77 THR OG1 : rot 96:sc= 1.06 USER MOD Single : A 82 TYR OH : rot 165:sc= -1.14 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -160:sc= 0.0536 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -123:sc= 1.17 (180deg=-1.13) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 30:sc= -0.0389 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -3.824 15.107 8.557 1.00 35.11 N ATOM 21 CA ALA A 2 -5.193 14.663 8.781 1.00 35.11 C ATOM 22 C ALA A 2 -5.531 13.528 7.839 1.00 35.11 C ATOM 23 O ALA A 2 -6.071 12.503 8.255 1.00 35.11 O ATOM 24 CB ALA A 2 -6.167 15.820 8.619 1.00 35.11 C ATOM 0 HA ALA A 2 -5.281 14.297 9.804 1.00 35.11 H new ATOM 0 HB1 ALA A 2 -7.184 15.466 8.791 1.00 35.11 H new ATOM 0 HB2 ALA A 2 -5.928 16.601 9.341 1.00 35.11 H new ATOM 0 HB3 ALA A 2 -6.089 16.223 7.609 1.00 35.11 H new ATOM 30 N GLU A 3 -5.162 13.688 6.577 1.00 71.76 N ATOM 31 CA GLU A 3 -5.379 12.643 5.592 1.00 71.76 C ATOM 32 C GLU A 3 -4.562 11.430 5.994 1.00 71.76 C ATOM 33 O GLU A 3 -5.010 10.293 5.875 1.00 71.76 O ATOM 34 CB GLU A 3 -4.978 13.145 4.212 1.00 71.76 C ATOM 35 CG GLU A 3 -5.846 14.285 3.737 1.00 71.76 C ATOM 36 CD GLU A 3 -7.253 13.841 3.381 1.00 71.76 C ATOM 37 OE1 GLU A 3 -7.467 12.622 3.207 1.00 71.76 O ATOM 38 OE2 GLU A 3 -8.142 14.713 3.276 1.00 71.76 O ATOM 0 H GLU A 3 -4.713 14.528 6.213 1.00 71.76 H new ATOM 0 HA GLU A 3 -6.433 12.367 5.551 1.00 71.76 H new ATOM 0 HB2 GLU A 3 -3.938 13.470 4.235 1.00 71.76 H new ATOM 0 HB3 GLU A 3 -5.040 12.324 3.498 1.00 71.76 H new ATOM 0 HG2 GLU A 3 -5.896 15.047 4.515 1.00 71.76 H new ATOM 0 HG3 GLU A 3 -5.384 14.749 2.865 1.00 71.76 H new ATOM 45 N TYR A 4 -3.358 11.696 6.494 1.00112.05 N ATOM 46 CA TYR A 4 -2.475 10.639 6.942 1.00112.05 C ATOM 47 C TYR A 4 -3.110 9.879 8.102 1.00112.05 C ATOM 48 O TYR A 4 -3.064 8.650 8.143 1.00112.05 O ATOM 49 CB TYR A 4 -1.112 11.202 7.350 1.00112.05 C ATOM 50 CG TYR A 4 -0.088 10.134 7.623 1.00112.05 C ATOM 51 CD1 TYR A 4 0.319 9.263 6.621 1.00112.05 C ATOM 52 CD2 TYR A 4 0.476 10.002 8.879 1.00112.05 C ATOM 53 CE1 TYR A 4 1.261 8.284 6.869 1.00112.05 C ATOM 54 CE2 TYR A 4 1.416 9.030 9.137 1.00112.05 C ATOM 55 CZ TYR A 4 1.807 8.171 8.130 1.00112.05 C ATOM 56 OH TYR A 4 2.749 7.201 8.385 1.00112.05 O ATOM 0 H TYR A 4 -2.977 12.637 6.596 1.00112.05 H new ATOM 0 HA TYR A 4 -2.319 9.948 6.114 1.00112.05 H new ATOM 0 HB2 TYR A 4 -0.744 11.855 6.559 1.00112.05 H new ATOM 0 HB3 TYR A 4 -1.232 11.818 8.241 1.00112.05 H new ATOM 0 HD1 TYR A 4 -0.108 9.353 5.633 1.00112.05 H new ATOM 0 HD2 TYR A 4 0.174 10.672 9.670 1.00112.05 H new ATOM 0 HE1 TYR A 4 1.568 7.612 6.081 1.00112.05 H new ATOM 0 HE2 TYR A 4 1.846 8.940 10.124 1.00112.05 H new ATOM 0 HH TYR A 4 3.639 7.541 8.157 1.00112.05 H new ATOM 66 N GLY A 5 -3.725 10.613 9.042 1.00 23.54 N ATOM 67 CA GLY A 5 -4.373 9.959 10.169 1.00 23.54 C ATOM 68 C GLY A 5 -5.460 9.014 9.704 1.00 23.54 C ATOM 69 O GLY A 5 -5.541 7.867 10.148 1.00 23.54 O ATOM 0 H GLY A 5 -3.783 11.631 9.039 1.00 23.54 H new ATOM 0 HA2 GLY A 5 -3.632 9.408 10.748 1.00 23.54 H new ATOM 0 HA3 GLY A 5 -4.801 10.711 10.832 1.00 23.54 H new ATOM 73 N THR A 6 -6.277 9.501 8.779 1.00 90.84 N ATOM 74 CA THR A 6 -7.351 8.725 8.199 1.00 90.84 C ATOM 75 C THR A 6 -6.783 7.631 7.316 1.00 90.84 C ATOM 76 O THR A 6 -7.311 6.526 7.276 1.00 90.84 O ATOM 77 CB THR A 6 -8.301 9.650 7.404 1.00 90.84 C ATOM 78 OG1 THR A 6 -8.998 10.524 8.301 1.00 90.84 O ATOM 79 CG2 THR A 6 -9.300 8.864 6.578 1.00 90.84 C ATOM 0 H THR A 6 -6.208 10.450 8.412 1.00 90.84 H new ATOM 0 HA THR A 6 -7.926 8.252 8.995 1.00 90.84 H new ATOM 0 HB THR A 6 -7.689 10.235 6.718 1.00 90.84 H new ATOM 0 HG1 THR A 6 -9.596 11.108 7.790 1.00 90.84 H new ATOM 0 HG21 THR A 6 -9.947 9.554 6.036 1.00 90.84 H new ATOM 0 HG22 THR A 6 -8.767 8.232 5.867 1.00 90.84 H new ATOM 0 HG23 THR A 6 -9.905 8.240 7.236 1.00 90.84 H new ATOM 87 N LEU A 7 -5.692 7.934 6.624 1.00 63.89 N ATOM 88 CA LEU A 7 -5.041 6.954 5.763 1.00 63.89 C ATOM 89 C LEU A 7 -4.724 5.695 6.554 1.00 63.89 C ATOM 90 O LEU A 7 -5.185 4.601 6.228 1.00 63.89 O ATOM 91 CB LEU A 7 -3.747 7.535 5.189 1.00 63.89 C ATOM 92 CG LEU A 7 -2.826 6.512 4.519 1.00 63.89 C ATOM 93 CD1 LEU A 7 -3.498 5.920 3.295 1.00 63.89 C ATOM 94 CD2 LEU A 7 -1.479 7.130 4.179 1.00 63.89 C ATOM 0 H LEU A 7 -5.240 8.848 6.642 1.00 63.89 H new ATOM 0 HA LEU A 7 -5.717 6.705 4.945 1.00 63.89 H new ATOM 0 HB2 LEU A 7 -4.003 8.305 4.461 1.00 63.89 H new ATOM 0 HB3 LEU A 7 -3.198 8.026 5.992 1.00 63.89 H new ATOM 0 HG LEU A 7 -2.638 5.701 5.222 1.00 63.89 H new ATOM 0 HD11 LEU A 7 -2.831 5.194 2.829 1.00 63.89 H new ATOM 0 HD12 LEU A 7 -4.423 5.425 3.591 1.00 63.89 H new ATOM 0 HD13 LEU A 7 -3.724 6.715 2.584 1.00 63.89 H new ATOM 0 HD21 LEU A 7 -0.845 6.381 3.704 1.00 63.89 H new ATOM 0 HD22 LEU A 7 -1.625 7.968 3.497 1.00 63.89 H new ATOM 0 HD23 LEU A 7 -1.001 7.485 5.092 1.00 63.89 H new ATOM 106 N LEU A 8 -3.940 5.878 7.606 1.00 67.93 N ATOM 107 CA LEU A 8 -3.559 4.780 8.470 1.00 67.93 C ATOM 108 C LEU A 8 -4.799 4.119 9.048 1.00 67.93 C ATOM 109 O LEU A 8 -4.866 2.902 9.155 1.00 67.93 O ATOM 110 CB LEU A 8 -2.645 5.279 9.590 1.00 67.93 C ATOM 111 CG LEU A 8 -1.141 5.326 9.263 1.00 67.93 C ATOM 112 CD1 LEU A 8 -0.881 5.836 7.852 1.00 67.93 C ATOM 113 CD2 LEU A 8 -0.401 6.183 10.279 1.00 67.93 C ATOM 0 H LEU A 8 -3.556 6.782 7.879 1.00 67.93 H new ATOM 0 HA LEU A 8 -3.012 4.042 7.883 1.00 67.93 H new ATOM 0 HB2 LEU A 8 -2.966 6.281 9.875 1.00 67.93 H new ATOM 0 HB3 LEU A 8 -2.788 4.639 10.461 1.00 67.93 H new ATOM 0 HG LEU A 8 -0.765 4.304 9.318 1.00 67.93 H new ATOM 0 HD11 LEU A 8 0.192 5.853 7.663 1.00 67.93 H new ATOM 0 HD12 LEU A 8 -1.366 5.177 7.132 1.00 67.93 H new ATOM 0 HD13 LEU A 8 -1.283 6.844 7.749 1.00 67.93 H new ATOM 0 HD21 LEU A 8 0.660 6.205 10.032 1.00 67.93 H new ATOM 0 HD22 LEU A 8 -0.799 7.197 10.258 1.00 67.93 H new ATOM 0 HD23 LEU A 8 -0.533 5.762 11.276 1.00 67.93 H new ATOM 125 N GLN A 9 -5.796 4.936 9.375 1.00 42.21 N ATOM 126 CA GLN A 9 -7.052 4.442 9.907 1.00 42.21 C ATOM 127 C GLN A 9 -7.754 3.592 8.847 1.00 42.21 C ATOM 128 O GLN A 9 -8.340 2.554 9.154 1.00 42.21 O ATOM 129 CB GLN A 9 -7.880 5.668 10.339 1.00 42.21 C ATOM 130 CG GLN A 9 -9.385 5.487 10.363 1.00 42.21 C ATOM 131 CD GLN A 9 -9.989 5.738 11.732 1.00 42.21 C ATOM 132 OE1 GLN A 9 -10.240 6.879 12.113 1.00 42.21 O ATOM 133 NE2 GLN A 9 -10.217 4.663 12.480 1.00 42.21 N ATOM 0 H GLN A 9 -5.753 5.950 9.278 1.00 42.21 H new ATOM 0 HA GLN A 9 -6.907 3.797 10.774 1.00 42.21 H new ATOM 0 HB2 GLN A 9 -7.555 5.966 11.336 1.00 42.21 H new ATOM 0 HB3 GLN A 9 -7.645 6.494 9.667 1.00 42.21 H new ATOM 0 HG2 GLN A 9 -9.839 6.166 9.641 1.00 42.21 H new ATOM 0 HG3 GLN A 9 -9.629 4.474 10.044 1.00 42.21 H new ATOM 0 HE21 GLN A 9 -9.992 3.735 12.121 1.00 42.21 H new ATOM 0 HE22 GLN A 9 -10.617 4.766 13.413 1.00 42.21 H new ATOM 142 N ASP A 10 -7.687 4.042 7.603 1.00 76.39 N ATOM 143 CA ASP A 10 -8.310 3.324 6.500 1.00 76.39 C ATOM 144 C ASP A 10 -7.718 1.929 6.351 1.00 76.39 C ATOM 145 O ASP A 10 -8.460 0.946 6.310 1.00 76.39 O ATOM 146 CB ASP A 10 -8.166 4.110 5.197 1.00 76.39 C ATOM 147 CG ASP A 10 -8.981 5.390 5.198 1.00 76.39 C ATOM 148 OD1 ASP A 10 -9.857 5.536 6.078 1.00 76.39 O ATOM 149 OD2 ASP A 10 -8.743 6.246 4.322 1.00 76.39 O ATOM 0 H ASP A 10 -7.208 4.901 7.332 1.00 76.39 H new ATOM 0 HA ASP A 10 -9.371 3.218 6.725 1.00 76.39 H new ATOM 0 HB2 ASP A 10 -7.115 4.352 5.037 1.00 76.39 H new ATOM 0 HB3 ASP A 10 -8.480 3.484 4.362 1.00 76.39 H new ATOM 154 N LEU A 11 -6.388 1.820 6.317 1.00140.58 N ATOM 155 CA LEU A 11 -5.772 0.507 6.231 1.00140.58 C ATOM 156 C LEU A 11 -6.049 -0.239 7.522 1.00140.58 C ATOM 157 O LEU A 11 -6.255 -1.446 7.505 1.00140.58 O ATOM 158 CB LEU A 11 -4.287 0.595 5.883 1.00140.58 C ATOM 159 CG LEU A 11 -3.331 0.902 7.026 1.00140.58 C ATOM 160 CD1 LEU A 11 -2.900 -0.392 7.704 1.00140.58 C ATOM 161 CD2 LEU A 11 -2.127 1.675 6.492 1.00140.58 C ATOM 0 H LEU A 11 -5.737 2.605 6.347 1.00140.58 H new ATOM 0 HA LEU A 11 -6.212 -0.058 5.409 1.00140.58 H new ATOM 0 HB2 LEU A 11 -3.987 -0.352 5.434 1.00140.58 H new ATOM 0 HB3 LEU A 11 -4.162 1.363 5.120 1.00140.58 H new ATOM 0 HG LEU A 11 -3.833 1.520 7.770 1.00140.58 H new ATOM 0 HD11 LEU A 11 -2.216 -0.164 8.521 1.00140.58 H new ATOM 0 HD12 LEU A 11 -3.777 -0.906 8.098 1.00140.58 H new ATOM 0 HD13 LEU A 11 -2.399 -1.033 6.979 1.00140.58 H new ATOM 0 HD21 LEU A 11 -1.443 1.894 7.312 1.00140.58 H new ATOM 0 HD22 LEU A 11 -1.613 1.075 5.741 1.00140.58 H new ATOM 0 HD23 LEU A 11 -2.465 2.608 6.041 1.00140.58 H new ATOM 173 N THR A 12 -6.138 0.505 8.638 1.00103.83 N ATOM 174 CA THR A 12 -6.483 -0.089 9.915 1.00103.83 C ATOM 175 C THR A 12 -7.873 -0.705 9.803 1.00103.83 C ATOM 176 O THR A 12 -8.129 -1.798 10.300 1.00103.83 O ATOM 177 CB THR A 12 -6.483 0.933 11.063 1.00103.83 C ATOM 178 OG1 THR A 12 -5.236 1.622 11.129 1.00103.83 O ATOM 179 CG2 THR A 12 -6.716 0.233 12.375 1.00103.83 C ATOM 0 H THR A 12 -5.975 1.511 8.669 1.00103.83 H new ATOM 0 HA THR A 12 -5.728 -0.840 10.147 1.00103.83 H new ATOM 0 HB THR A 12 -7.281 1.651 10.873 1.00103.83 H new ATOM 0 HG1 THR A 12 -5.202 2.305 10.427 1.00103.83 H new ATOM 0 HG21 THR A 12 -6.714 0.965 13.183 1.00103.83 H new ATOM 0 HG22 THR A 12 -7.679 -0.277 12.349 1.00103.83 H new ATOM 0 HG23 THR A 12 -5.924 -0.496 12.544 1.00103.83 H new ATOM 187 N ASN A 13 -8.758 -0.010 9.093 1.00 36.97 N ATOM 188 CA ASN A 13 -10.104 -0.518 8.862 1.00 36.97 C ATOM 189 C ASN A 13 -10.024 -1.804 8.043 1.00 36.97 C ATOM 190 O ASN A 13 -10.843 -2.707 8.204 1.00 36.97 O ATOM 191 CB ASN A 13 -10.975 0.521 8.151 1.00 36.97 C ATOM 192 CG ASN A 13 -11.330 1.688 9.052 1.00 36.97 C ATOM 193 OD1 ASN A 13 -11.500 1.522 10.259 1.00 36.97 O ATOM 194 ND2 ASN A 13 -11.440 2.876 8.470 1.00 36.97 N ATOM 0 H ASN A 13 -8.568 0.899 8.671 1.00 36.97 H new ATOM 0 HA ASN A 13 -10.569 -0.729 9.825 1.00 36.97 H new ATOM 0 HB2 ASN A 13 -10.449 0.891 7.271 1.00 36.97 H new ATOM 0 HB3 ASN A 13 -11.890 0.045 7.799 1.00 36.97 H new ATOM 0 HD21 ASN A 13 -11.674 3.697 9.028 1.00 36.97 H new ATOM 0 HD22 ASN A 13 -11.290 2.967 7.465 1.00 36.97 H new ATOM 201 N ASN A 14 -9.001 -1.890 7.188 1.00 84.59 N ATOM 202 CA ASN A 14 -8.780 -3.080 6.375 1.00 84.59 C ATOM 203 C ASN A 14 -7.794 -4.030 7.064 1.00 84.59 C ATOM 204 O ASN A 14 -7.446 -5.078 6.520 1.00 84.59 O ATOM 205 CB ASN A 14 -8.241 -2.683 5.000 1.00 84.59 C ATOM 206 CG ASN A 14 -9.182 -1.757 4.256 1.00 84.59 C ATOM 207 OD1 ASN A 14 -8.689 -0.573 3.913 1.00 84.59 O flip ATOM 208 ND2 ASN A 14 -10.337 -2.095 4.005 1.00 84.59 N flip ATOM 0 H ASN A 14 -8.316 -1.148 7.044 1.00 84.59 H new ATOM 0 HA ASN A 14 -9.733 -3.595 6.253 1.00 84.59 H new ATOM 0 HB2 ASN A 14 -7.274 -2.195 5.119 1.00 84.59 H new ATOM 0 HB3 ASN A 14 -8.074 -3.581 4.405 1.00 84.59 H new ATOM 0 HD21 ASN A 14 -10.672 -3.016 4.288 1.00 84.59 H new ATOM 0 HD22 ASN A 14 -10.960 -1.455 3.513 1.00 84.59 H new ATOM 215 N ILE A 15 -7.330 -3.643 8.254 1.00120.44 N ATOM 216 CA ILE A 15 -6.380 -4.426 9.005 1.00120.44 C ATOM 217 C ILE A 15 -7.066 -5.385 9.986 1.00120.44 C ATOM 218 O ILE A 15 -7.726 -4.961 10.936 1.00120.44 O ATOM 219 CB ILE A 15 -5.378 -3.460 9.722 1.00120.44 C ATOM 220 CG1 ILE A 15 -3.977 -3.986 9.595 1.00120.44 C ATOM 221 CG2 ILE A 15 -5.683 -3.184 11.191 1.00120.44 C ATOM 222 CD1 ILE A 15 -3.789 -5.340 10.231 1.00120.44 C ATOM 0 H ILE A 15 -7.610 -2.776 8.713 1.00120.44 H new ATOM 0 HA ILE A 15 -5.824 -5.064 8.317 1.00120.44 H new ATOM 0 HB ILE A 15 -5.491 -2.504 9.211 1.00120.44 H new ATOM 0 HG12 ILE A 15 -3.714 -4.048 8.539 1.00120.44 H new ATOM 0 HG13 ILE A 15 -3.287 -3.278 10.054 1.00120.44 H new ATOM 0 HG21 ILE A 15 -4.933 -2.505 11.597 1.00120.44 H new ATOM 0 HG22 ILE A 15 -6.670 -2.729 11.279 1.00120.44 H new ATOM 0 HG23 ILE A 15 -5.665 -4.120 11.749 1.00120.44 H new ATOM 0 HD11 ILE A 15 -2.755 -5.662 10.103 1.00120.44 H new ATOM 0 HD12 ILE A 15 -4.021 -5.278 11.294 1.00120.44 H new ATOM 0 HD13 ILE A 15 -4.454 -6.061 9.756 1.00120.44 H new ATOM 234 N THR A 16 -6.883 -6.680 9.767 1.00158.94 N ATOM 235 CA THR A 16 -7.450 -7.670 10.656 1.00158.94 C ATOM 236 C THR A 16 -6.475 -7.959 11.760 1.00158.94 C ATOM 237 O THR A 16 -5.271 -7.748 11.604 1.00158.94 O ATOM 238 CB THR A 16 -7.760 -8.995 9.953 1.00158.94 C ATOM 239 OG1 THR A 16 -6.569 -9.550 9.391 1.00158.94 O ATOM 240 CG2 THR A 16 -8.796 -8.805 8.878 1.00158.94 C ATOM 0 H THR A 16 -6.350 -7.062 8.986 1.00158.94 H new ATOM 0 HA THR A 16 -8.385 -7.254 11.033 1.00158.94 H new ATOM 0 HB THR A 16 -8.158 -9.686 10.696 1.00158.94 H new ATOM 0 HG1 THR A 16 -6.781 -10.397 8.946 1.00158.94 H new ATOM 0 HG21 THR A 16 -8.998 -9.761 8.394 1.00158.94 H new ATOM 0 HG22 THR A 16 -9.715 -8.422 9.322 1.00158.94 H new ATOM 0 HG23 THR A 16 -8.427 -8.095 8.138 1.00158.94 H new ATOM 248 N LEU A 17 -6.979 -8.466 12.866 1.00 50.69 N ATOM 249 CA LEU A 17 -6.111 -8.809 13.978 1.00 50.69 C ATOM 250 C LEU A 17 -5.099 -9.855 13.529 1.00 50.69 C ATOM 251 O LEU A 17 -3.940 -9.840 13.942 1.00 50.69 O ATOM 252 CB LEU A 17 -6.920 -9.313 15.171 1.00 50.69 C ATOM 253 CG LEU A 17 -6.123 -9.453 16.468 1.00 50.69 C ATOM 254 CD1 LEU A 17 -5.362 -8.168 16.766 1.00 50.69 C ATOM 255 CD2 LEU A 17 -7.052 -9.802 17.621 1.00 50.69 C ATOM 0 H LEU A 17 -7.971 -8.649 13.020 1.00 50.69 H new ATOM 0 HA LEU A 17 -5.579 -7.913 14.299 1.00 50.69 H new ATOM 0 HB2 LEU A 17 -7.752 -8.630 15.343 1.00 50.69 H new ATOM 0 HB3 LEU A 17 -7.350 -10.282 14.918 1.00 50.69 H new ATOM 0 HG LEU A 17 -5.400 -10.260 16.348 1.00 50.69 H new ATOM 0 HD11 LEU A 17 -4.800 -8.285 17.693 1.00 50.69 H new ATOM 0 HD12 LEU A 17 -4.674 -7.955 15.948 1.00 50.69 H new ATOM 0 HD13 LEU A 17 -6.067 -7.343 16.871 1.00 50.69 H new ATOM 0 HD21 LEU A 17 -6.472 -9.899 18.539 1.00 50.69 H new ATOM 0 HD22 LEU A 17 -7.794 -9.013 17.742 1.00 50.69 H new ATOM 0 HD23 LEU A 17 -7.556 -10.745 17.409 1.00 50.69 H new ATOM 267 N GLU A 18 -5.552 -10.747 12.650 1.00107.93 N ATOM 268 CA GLU A 18 -4.695 -11.784 12.106 1.00107.93 C ATOM 269 C GLU A 18 -3.659 -11.167 11.178 1.00107.93 C ATOM 270 O GLU A 18 -2.468 -11.475 11.258 1.00107.93 O ATOM 271 CB GLU A 18 -5.541 -12.813 11.349 1.00107.93 C ATOM 272 CG GLU A 18 -6.466 -13.619 12.248 1.00107.93 C ATOM 273 CD GLU A 18 -7.296 -14.630 11.480 1.00107.93 C ATOM 274 OE1 GLU A 18 -8.265 -14.216 10.809 1.00107.93 O ATOM 275 OE2 GLU A 18 -6.978 -15.836 11.551 1.00107.93 O ATOM 0 H GLU A 18 -6.511 -10.767 12.302 1.00107.93 H new ATOM 0 HA GLU A 18 -4.177 -12.287 12.923 1.00107.93 H new ATOM 0 HB2 GLU A 18 -6.138 -12.298 10.596 1.00107.93 H new ATOM 0 HB3 GLU A 18 -4.878 -13.496 10.818 1.00107.93 H new ATOM 0 HG2 GLU A 18 -5.872 -14.139 13.000 1.00107.93 H new ATOM 0 HG3 GLU A 18 -7.131 -12.939 12.781 1.00107.93 H new ATOM 282 N ASP A 19 -4.123 -10.274 10.310 1.00 35.40 N ATOM 283 CA ASP A 19 -3.242 -9.588 9.379 1.00 35.40 C ATOM 284 C ASP A 19 -2.197 -8.769 10.129 1.00 35.40 C ATOM 285 O ASP A 19 -1.032 -8.727 9.734 1.00 35.40 O ATOM 286 CB ASP A 19 -4.053 -8.701 8.428 1.00 35.40 C ATOM 287 CG ASP A 19 -4.765 -9.503 7.354 1.00 35.40 C ATOM 288 OD1 ASP A 19 -4.413 -10.687 7.164 1.00 35.40 O ATOM 289 OD2 ASP A 19 -5.678 -8.949 6.706 1.00 35.40 O ATOM 0 H ASP A 19 -5.105 -10.010 10.234 1.00 35.40 H new ATOM 0 HA ASP A 19 -2.719 -10.337 8.784 1.00 35.40 H new ATOM 0 HB2 ASP A 19 -4.787 -8.135 9.001 1.00 35.40 H new ATOM 0 HB3 ASP A 19 -3.389 -7.977 7.956 1.00 35.40 H new ATOM 294 N LEU A 20 -2.618 -8.129 11.222 1.00 45.47 N ATOM 295 CA LEU A 20 -1.708 -7.319 12.031 1.00 45.47 C ATOM 296 C LEU A 20 -0.534 -8.150 12.516 1.00 45.47 C ATOM 297 O LEU A 20 0.620 -7.743 12.396 1.00 45.47 O ATOM 298 CB LEU A 20 -2.438 -6.705 13.233 1.00 45.47 C ATOM 299 CG LEU A 20 -2.444 -5.178 13.279 1.00 45.47 C ATOM 300 CD1 LEU A 20 -3.010 -4.694 14.609 1.00 45.47 C ATOM 301 CD2 LEU A 20 -1.043 -4.608 13.034 1.00 45.47 C ATOM 0 H LEU A 20 -3.578 -8.156 11.565 1.00 45.47 H new ATOM 0 HA LEU A 20 -1.335 -6.513 11.399 1.00 45.47 H new ATOM 0 HB2 LEU A 20 -3.470 -7.057 13.230 1.00 45.47 H new ATOM 0 HB3 LEU A 20 -1.977 -7.078 14.147 1.00 45.47 H new ATOM 0 HG LEU A 20 -3.086 -4.814 12.477 1.00 45.47 H new ATOM 0 HD11 LEU A 20 -3.009 -3.604 14.630 1.00 45.47 H new ATOM 0 HD12 LEU A 20 -4.031 -5.058 14.724 1.00 45.47 H new ATOM 0 HD13 LEU A 20 -2.395 -5.073 15.425 1.00 45.47 H new ATOM 0 HD21 LEU A 20 -1.081 -3.519 13.073 1.00 45.47 H new ATOM 0 HD22 LEU A 20 -0.362 -4.975 13.801 1.00 45.47 H new ATOM 0 HD23 LEU A 20 -0.688 -4.924 12.053 1.00 45.47 H new ATOM 313 N GLU A 21 -0.836 -9.327 13.049 1.00 91.26 N ATOM 314 CA GLU A 21 0.201 -10.222 13.539 1.00 91.26 C ATOM 315 C GLU A 21 1.163 -10.576 12.415 1.00 91.26 C ATOM 316 O GLU A 21 2.335 -10.862 12.658 1.00 91.26 O ATOM 317 CB GLU A 21 -0.408 -11.486 14.128 1.00 91.26 C ATOM 318 CG GLU A 21 -1.290 -11.227 15.338 1.00 91.26 C ATOM 319 CD GLU A 21 -1.843 -12.504 15.938 1.00 91.26 C ATOM 320 OE1 GLU A 21 -1.958 -13.505 15.200 1.00 91.26 O ATOM 321 OE2 GLU A 21 -2.154 -12.505 17.148 1.00 91.26 O ATOM 0 H GLU A 21 -1.787 -9.682 13.152 1.00 91.26 H new ATOM 0 HA GLU A 21 0.751 -9.709 14.328 1.00 91.26 H new ATOM 0 HB2 GLU A 21 -0.997 -11.988 13.360 1.00 91.26 H new ATOM 0 HB3 GLU A 21 0.394 -12.168 14.412 1.00 91.26 H new ATOM 0 HG2 GLU A 21 -0.715 -10.693 16.095 1.00 91.26 H new ATOM 0 HG3 GLU A 21 -2.116 -10.578 15.049 1.00 91.26 H new ATOM 328 N GLN A 22 0.673 -10.517 11.179 1.00 87.96 N ATOM 329 CA GLN A 22 1.523 -10.795 10.035 1.00 87.96 C ATOM 330 C GLN A 22 2.484 -9.636 9.889 1.00 87.96 C ATOM 331 O GLN A 22 3.686 -9.819 9.696 1.00 87.96 O ATOM 332 CB GLN A 22 0.709 -10.971 8.757 1.00 87.96 C ATOM 333 CG GLN A 22 1.499 -11.639 7.646 1.00 87.96 C ATOM 334 CD GLN A 22 1.432 -13.152 7.714 1.00 87.96 C ATOM 335 OE1 GLN A 22 0.424 -13.757 7.343 1.00 87.96 O ATOM 336 NE2 GLN A 22 2.504 -13.774 8.193 1.00 87.96 N ATOM 0 H GLN A 22 -0.293 -10.283 10.950 1.00 87.96 H new ATOM 0 HA GLN A 22 2.060 -11.730 10.198 1.00 87.96 H new ATOM 0 HB2 GLN A 22 -0.178 -11.566 8.975 1.00 87.96 H new ATOM 0 HB3 GLN A 22 0.362 -9.996 8.415 1.00 87.96 H new ATOM 0 HG2 GLN A 22 1.117 -11.305 6.681 1.00 87.96 H new ATOM 0 HG3 GLN A 22 2.540 -11.322 7.704 1.00 87.96 H new ATOM 0 HE21 GLN A 22 3.317 -13.234 8.489 1.00 87.96 H new ATOM 0 HE22 GLN A 22 2.514 -14.791 8.265 1.00 87.96 H new ATOM 345 N LEU A 23 1.938 -8.428 10.046 1.00 99.30 N ATOM 346 CA LEU A 23 2.729 -7.219 10.001 1.00 99.30 C ATOM 347 C LEU A 23 3.734 -7.279 11.140 1.00 99.30 C ATOM 348 O LEU A 23 4.923 -7.047 10.959 1.00 99.30 O ATOM 349 CB LEU A 23 1.811 -5.999 10.171 1.00 99.30 C ATOM 350 CG LEU A 23 0.628 -5.939 9.200 1.00 99.30 C ATOM 351 CD1 LEU A 23 -0.148 -4.636 9.362 1.00 99.30 C ATOM 352 CD2 LEU A 23 1.098 -6.124 7.756 1.00 99.30 C ATOM 0 H LEU A 23 0.943 -8.272 10.206 1.00 99.30 H new ATOM 0 HA LEU A 23 3.247 -7.131 9.046 1.00 99.30 H new ATOM 0 HB2 LEU A 23 1.426 -5.992 11.191 1.00 99.30 H new ATOM 0 HB3 LEU A 23 2.407 -5.095 10.050 1.00 99.30 H new ATOM 0 HG LEU A 23 -0.047 -6.760 9.441 1.00 99.30 H new ATOM 0 HD11 LEU A 23 -0.982 -4.620 8.661 1.00 99.30 H new ATOM 0 HD12 LEU A 23 -0.529 -4.564 10.381 1.00 99.30 H new ATOM 0 HD13 LEU A 23 0.512 -3.792 9.160 1.00 99.30 H new ATOM 0 HD21 LEU A 23 0.240 -6.078 7.085 1.00 99.30 H new ATOM 0 HD22 LEU A 23 1.803 -5.333 7.499 1.00 99.30 H new ATOM 0 HD23 LEU A 23 1.586 -7.093 7.654 1.00 99.30 H new ATOM 364 N LYS A 24 3.219 -7.646 12.312 1.00114.71 N ATOM 365 CA LYS A 24 4.035 -7.791 13.516 1.00114.71 C ATOM 366 C LYS A 24 5.141 -8.816 13.297 1.00114.71 C ATOM 367 O LYS A 24 6.274 -8.629 13.738 1.00114.71 O ATOM 368 CB LYS A 24 3.174 -8.247 14.699 1.00114.71 C ATOM 369 CG LYS A 24 2.136 -7.231 15.149 1.00114.71 C ATOM 370 CD LYS A 24 1.440 -7.679 16.429 1.00114.71 C ATOM 371 CE LYS A 24 -0.066 -7.773 16.250 1.00114.71 C ATOM 372 NZ LYS A 24 -0.750 -8.158 17.514 1.00114.71 N ATOM 0 H LYS A 24 2.230 -7.850 12.454 1.00114.71 H new ATOM 0 HA LYS A 24 4.475 -6.818 13.734 1.00114.71 H new ATOM 0 HB2 LYS A 24 2.665 -9.172 14.427 1.00114.71 H new ATOM 0 HB3 LYS A 24 3.827 -8.478 15.540 1.00114.71 H new ATOM 0 HG2 LYS A 24 2.616 -6.266 15.312 1.00114.71 H new ATOM 0 HG3 LYS A 24 1.396 -7.090 14.361 1.00114.71 H new ATOM 0 HD2 LYS A 24 1.831 -8.650 16.735 1.00114.71 H new ATOM 0 HD3 LYS A 24 1.667 -6.977 17.231 1.00114.71 H new ATOM 0 HE2 LYS A 24 -0.452 -6.813 15.906 1.00114.71 H new ATOM 0 HE3 LYS A 24 -0.295 -8.505 15.475 1.00114.71 H new ATOM 0 HZ1 LYS A 24 -1.196 -9.090 17.397 1.00114.71 H new ATOM 0 HZ2 LYS A 24 -0.054 -8.201 18.286 1.00114.71 H new ATOM 0 HZ3 LYS A 24 -1.478 -7.452 17.744 1.00114.71 H new ATOM 386 N SER A 25 4.797 -9.901 12.604 1.00 75.52 N ATOM 387 CA SER A 25 5.750 -10.969 12.311 1.00 75.52 C ATOM 388 C SER A 25 6.903 -10.409 11.498 1.00 75.52 C ATOM 389 O SER A 25 8.073 -10.674 11.771 1.00 75.52 O ATOM 390 CB SER A 25 5.058 -12.098 11.537 1.00 75.52 C ATOM 391 OG SER A 25 4.022 -12.680 12.309 1.00 75.52 O ATOM 0 H SER A 25 3.860 -10.063 12.234 1.00 75.52 H new ATOM 0 HA SER A 25 6.133 -11.375 13.247 1.00 75.52 H new ATOM 0 HB2 SER A 25 4.647 -11.707 10.606 1.00 75.52 H new ATOM 0 HB3 SER A 25 5.789 -12.861 11.268 1.00 75.52 H new ATOM 0 HG SER A 25 3.210 -12.137 12.229 1.00 75.52 H new ATOM 397 N ALA A 26 6.544 -9.589 10.527 1.00 32.46 N ATOM 398 CA ALA A 26 7.510 -8.924 9.684 1.00 32.46 C ATOM 399 C ALA A 26 8.208 -7.834 10.480 1.00 32.46 C ATOM 400 O ALA A 26 9.386 -7.547 10.270 1.00 32.46 O ATOM 401 CB ALA A 26 6.822 -8.351 8.454 1.00 32.46 C ATOM 0 H ALA A 26 5.574 -9.368 10.304 1.00 32.46 H new ATOM 0 HA ALA A 26 8.258 -9.641 9.346 1.00 32.46 H new ATOM 0 HB1 ALA A 26 7.559 -7.852 7.825 1.00 32.46 H new ATOM 0 HB2 ALA A 26 6.351 -9.157 7.892 1.00 32.46 H new ATOM 0 HB3 ALA A 26 6.063 -7.633 8.763 1.00 32.46 H new ATOM 407 N CYS A 27 7.460 -7.225 11.402 1.00 54.89 N ATOM 408 CA CYS A 27 8.000 -6.164 12.232 1.00 54.89 C ATOM 409 C CYS A 27 8.769 -6.706 13.423 1.00 54.89 C ATOM 410 O CYS A 27 9.312 -5.928 14.194 1.00 54.89 O ATOM 411 CB CYS A 27 6.908 -5.236 12.748 1.00 54.89 C ATOM 412 SG CYS A 27 5.940 -4.427 11.464 1.00 54.89 S ATOM 0 H CYS A 27 6.483 -7.452 11.587 1.00 54.89 H new ATOM 0 HA CYS A 27 8.679 -5.605 11.588 1.00 54.89 H new ATOM 0 HB2 CYS A 27 6.234 -5.809 13.385 1.00 54.89 H new ATOM 0 HB3 CYS A 27 7.366 -4.471 13.375 1.00 54.89 H new ATOM 0 HG CYS A 27 5.098 -3.601 12.011 1.00 54.89 H new ATOM 418 N LYS A 28 8.839 -8.029 13.596 1.00157.95 N ATOM 419 CA LYS A 28 9.582 -8.572 14.742 1.00157.95 C ATOM 420 C LYS A 28 11.000 -8.001 14.756 1.00157.95 C ATOM 421 O LYS A 28 11.590 -7.783 15.814 1.00157.95 O ATOM 422 CB LYS A 28 9.630 -10.100 14.701 1.00157.95 C ATOM 423 CG LYS A 28 8.259 -10.740 14.770 1.00157.95 C ATOM 424 CD LYS A 28 7.563 -10.409 16.081 1.00157.95 C ATOM 425 CE LYS A 28 6.203 -11.078 16.176 1.00157.95 C ATOM 426 NZ LYS A 28 5.946 -11.627 17.536 1.00157.95 N ATOM 0 H LYS A 28 8.409 -8.723 12.985 1.00157.95 H new ATOM 0 HA LYS A 28 9.063 -8.279 15.655 1.00157.95 H new ATOM 0 HB2 LYS A 28 10.127 -10.417 13.784 1.00157.95 H new ATOM 0 HB3 LYS A 28 10.235 -10.461 15.533 1.00157.95 H new ATOM 0 HG2 LYS A 28 7.651 -10.394 13.935 1.00157.95 H new ATOM 0 HG3 LYS A 28 8.354 -11.821 14.668 1.00157.95 H new ATOM 0 HD2 LYS A 28 8.186 -10.730 16.916 1.00157.95 H new ATOM 0 HD3 LYS A 28 7.445 -9.329 16.168 1.00157.95 H new ATOM 0 HE2 LYS A 28 5.426 -10.357 15.923 1.00157.95 H new ATOM 0 HE3 LYS A 28 6.142 -11.882 15.443 1.00157.95 H new ATOM 0 HZ1 LYS A 28 5.008 -12.075 17.558 1.00157.95 H new ATOM 0 HZ2 LYS A 28 6.673 -12.334 17.768 1.00157.95 H new ATOM 0 HZ3 LYS A 28 5.978 -10.856 18.233 1.00157.95 H new ATOM 440 N GLU A 29 11.516 -7.734 13.563 1.00243.70 N ATOM 441 CA GLU A 29 12.840 -7.157 13.407 1.00243.70 C ATOM 442 C GLU A 29 12.857 -5.653 13.711 1.00243.70 C ATOM 443 O GLU A 29 13.832 -5.140 14.261 1.00243.70 O ATOM 444 CB GLU A 29 13.351 -7.396 11.981 1.00243.70 C ATOM 445 CG GLU A 29 13.531 -8.866 11.633 1.00243.70 C ATOM 446 CD GLU A 29 14.142 -9.069 10.261 1.00243.70 C ATOM 447 OE1 GLU A 29 14.091 -8.128 9.442 1.00243.70 O ATOM 448 OE2 GLU A 29 14.665 -10.174 10.003 1.00243.70 O ATOM 0 H GLU A 29 11.031 -7.911 12.684 1.00243.70 H new ATOM 0 HA GLU A 29 13.494 -7.649 14.127 1.00243.70 H new ATOM 0 HB2 GLU A 29 12.652 -6.948 11.275 1.00243.70 H new ATOM 0 HB3 GLU A 29 14.304 -6.883 11.856 1.00243.70 H new ATOM 0 HG2 GLU A 29 14.166 -9.338 12.383 1.00243.70 H new ATOM 0 HG3 GLU A 29 12.563 -9.366 11.674 1.00243.70 H new ATOM 455 N ASP A 30 11.799 -4.940 13.311 1.00108.85 N ATOM 456 CA ASP A 30 11.742 -3.487 13.506 1.00108.85 C ATOM 457 C ASP A 30 11.040 -3.063 14.802 1.00108.85 C ATOM 458 O ASP A 30 11.501 -2.156 15.494 1.00108.85 O ATOM 459 CB ASP A 30 11.046 -2.831 12.307 1.00108.85 C ATOM 460 CG ASP A 30 11.781 -3.072 11.002 1.00108.85 C ATOM 461 OD1 ASP A 30 12.920 -3.582 11.044 1.00108.85 O ATOM 462 OD2 ASP A 30 11.216 -2.749 9.935 1.00108.85 O ATOM 0 H ASP A 30 10.979 -5.340 12.855 1.00108.85 H new ATOM 0 HA ASP A 30 12.775 -3.148 13.588 1.00108.85 H new ATOM 0 HB2 ASP A 30 10.030 -3.218 12.225 1.00108.85 H new ATOM 0 HB3 ASP A 30 10.965 -1.758 12.481 1.00108.85 H new ATOM 467 N ILE A 31 9.910 -3.692 15.105 1.00355.97 N ATOM 468 CA ILE A 31 9.130 -3.353 16.287 1.00355.97 C ATOM 469 C ILE A 31 9.268 -4.416 17.390 1.00355.97 C ATOM 470 O ILE A 31 9.229 -5.613 17.104 1.00355.97 O ATOM 471 CB ILE A 31 7.646 -3.137 15.893 1.00355.97 C ATOM 472 CG1 ILE A 31 6.968 -2.176 16.872 1.00355.97 C ATOM 473 CG2 ILE A 31 6.867 -4.445 15.754 1.00355.97 C ATOM 474 CD1 ILE A 31 6.442 -2.815 18.136 1.00355.97 C ATOM 0 H ILE A 31 9.512 -4.445 14.543 1.00355.97 H new ATOM 0 HA ILE A 31 9.523 -2.424 16.700 1.00355.97 H new ATOM 0 HB ILE A 31 7.641 -2.684 14.902 1.00355.97 H new ATOM 0 HG12 ILE A 31 7.681 -1.398 17.146 1.00355.97 H new ATOM 0 HG13 ILE A 31 6.141 -1.684 16.360 1.00355.97 H new ATOM 0 HG21 ILE A 31 5.836 -4.227 15.477 1.00355.97 H new ATOM 0 HG22 ILE A 31 7.327 -5.062 14.982 1.00355.97 H new ATOM 0 HG23 ILE A 31 6.882 -4.980 16.703 1.00355.97 H new ATOM 0 HD11 ILE A 31 5.980 -2.053 18.764 1.00355.97 H new ATOM 0 HD12 ILE A 31 5.701 -3.572 17.880 1.00355.97 H new ATOM 0 HD13 ILE A 31 7.265 -3.281 18.678 1.00355.97 H new ATOM 486 N PRO A 32 9.451 -3.997 18.664 1.00153.08 N ATOM 487 CA PRO A 32 9.616 -4.931 19.783 1.00153.08 C ATOM 488 C PRO A 32 8.410 -5.838 20.023 1.00153.08 C ATOM 489 O PRO A 32 7.261 -5.422 19.876 1.00153.08 O ATOM 490 CB PRO A 32 9.843 -4.023 20.998 1.00153.08 C ATOM 491 CG PRO A 32 10.257 -2.714 20.429 1.00153.08 C ATOM 492 CD PRO A 32 9.542 -2.596 19.119 1.00153.08 C ATOM 0 HA PRO A 32 10.435 -5.621 19.580 1.00153.08 H new ATOM 0 HB2 PRO A 32 8.935 -3.925 21.593 1.00153.08 H new ATOM 0 HB3 PRO A 32 10.612 -4.428 21.655 1.00153.08 H new ATOM 0 HG2 PRO A 32 9.989 -1.895 21.096 1.00153.08 H new ATOM 0 HG3 PRO A 32 11.337 -2.672 20.290 1.00153.08 H new ATOM 0 HD2 PRO A 32 8.557 -2.145 19.236 1.00153.08 H new ATOM 0 HD3 PRO A 32 10.094 -1.977 18.412 1.00153.08 H new ATOM 500 N SER A 33 8.694 -7.080 20.417 1.00 84.70 N ATOM 501 CA SER A 33 7.652 -8.061 20.708 1.00 84.70 C ATOM 502 C SER A 33 6.821 -7.630 21.912 1.00 84.70 C ATOM 503 O SER A 33 5.621 -7.896 21.982 1.00 84.70 O ATOM 504 CB SER A 33 8.272 -9.433 20.978 1.00 84.70 C ATOM 505 OG SER A 33 7.271 -10.404 21.231 1.00 84.70 O ATOM 0 H SER A 33 9.644 -7.430 20.542 1.00 84.70 H new ATOM 0 HA SER A 33 7.000 -8.126 19.837 1.00 84.70 H new ATOM 0 HB2 SER A 33 8.872 -9.739 20.121 1.00 84.70 H new ATOM 0 HB3 SER A 33 8.946 -9.369 21.833 1.00 84.70 H new ATOM 0 HG SER A 33 7.693 -11.272 21.399 1.00 84.70 H new ATOM 511 N GLU A 34 7.474 -6.956 22.855 1.00109.83 N ATOM 512 CA GLU A 34 6.808 -6.477 24.063 1.00109.83 C ATOM 513 C GLU A 34 5.658 -5.538 23.707 1.00109.83 C ATOM 514 O GLU A 34 4.698 -5.401 24.465 1.00109.83 O ATOM 515 CB GLU A 34 7.815 -5.766 24.971 1.00109.83 C ATOM 516 CG GLU A 34 7.245 -5.352 26.320 1.00109.83 C ATOM 517 CD GLU A 34 8.248 -4.596 27.172 1.00109.83 C ATOM 518 OE1 GLU A 34 9.448 -4.600 26.824 1.00109.83 O ATOM 519 OE2 GLU A 34 7.836 -4.011 28.196 1.00109.83 O ATOM 0 H GLU A 34 8.467 -6.729 22.805 1.00109.83 H new ATOM 0 HA GLU A 34 6.397 -7.334 24.596 1.00109.83 H new ATOM 0 HB2 GLU A 34 8.669 -6.423 25.135 1.00109.83 H new ATOM 0 HB3 GLU A 34 8.189 -4.880 24.458 1.00109.83 H new ATOM 0 HG2 GLU A 34 6.365 -4.728 26.162 1.00109.83 H new ATOM 0 HG3 GLU A 34 6.914 -6.240 26.858 1.00109.83 H new ATOM 526 N LYS A 35 5.758 -4.899 22.544 1.00 73.01 N ATOM 527 CA LYS A 35 4.726 -3.982 22.079 1.00 73.01 C ATOM 528 C LYS A 35 3.789 -4.677 21.093 1.00 73.01 C ATOM 529 O LYS A 35 2.614 -4.333 20.988 1.00 73.01 O ATOM 530 CB LYS A 35 5.379 -2.776 21.410 1.00 73.01 C ATOM 531 CG LYS A 35 6.268 -1.989 22.349 1.00 73.01 C ATOM 532 CD LYS A 35 5.439 -1.198 23.346 1.00 73.01 C ATOM 533 CE LYS A 35 6.308 -0.532 24.401 1.00 73.01 C ATOM 534 NZ LYS A 35 6.972 0.695 23.884 1.00 73.01 N ATOM 0 H LYS A 35 6.547 -5.001 21.906 1.00 73.01 H new ATOM 0 HA LYS A 35 4.140 -3.652 22.937 1.00 73.01 H new ATOM 0 HB2 LYS A 35 5.969 -3.115 20.558 1.00 73.01 H new ATOM 0 HB3 LYS A 35 4.602 -2.120 21.018 1.00 73.01 H new ATOM 0 HG2 LYS A 35 6.933 -2.669 22.882 1.00 73.01 H new ATOM 0 HG3 LYS A 35 6.899 -1.310 21.775 1.00 73.01 H new ATOM 0 HD2 LYS A 35 4.863 -0.439 22.818 1.00 73.01 H new ATOM 0 HD3 LYS A 35 4.723 -1.862 23.831 1.00 73.01 H new ATOM 0 HE2 LYS A 35 5.696 -0.276 25.266 1.00 73.01 H new ATOM 0 HE3 LYS A 35 7.065 -1.237 24.744 1.00 73.01 H new ATOM 0 HZ1 LYS A 35 7.514 1.145 24.649 1.00 73.01 H new ATOM 0 HZ2 LYS A 35 7.616 0.441 23.108 1.00 73.01 H new ATOM 0 HZ3 LYS A 35 6.252 1.358 23.533 1.00 73.01 H new ATOM 548 N SER A 36 4.320 -5.666 20.381 1.00 80.12 N ATOM 549 CA SER A 36 3.542 -6.423 19.409 1.00 80.12 C ATOM 550 C SER A 36 2.336 -7.091 20.061 1.00 80.12 C ATOM 551 O SER A 36 1.283 -7.237 19.440 1.00 80.12 O ATOM 552 CB SER A 36 4.430 -7.473 18.750 1.00 80.12 C ATOM 553 OG SER A 36 3.683 -8.304 17.882 1.00 80.12 O ATOM 0 H SER A 36 5.293 -5.963 20.461 1.00 80.12 H new ATOM 0 HA SER A 36 3.171 -5.731 18.653 1.00 80.12 H new ATOM 0 HB2 SER A 36 5.226 -6.981 18.191 1.00 80.12 H new ATOM 0 HB3 SER A 36 4.909 -8.081 19.517 1.00 80.12 H new ATOM 0 HG SER A 36 4.237 -9.061 17.597 1.00 80.12 H new ATOM 559 N GLU A 37 2.503 -7.507 21.310 1.00 42.03 N ATOM 560 CA GLU A 37 1.437 -8.175 22.046 1.00 42.03 C ATOM 561 C GLU A 37 0.225 -7.264 22.232 1.00 42.03 C ATOM 562 O GLU A 37 -0.916 -7.715 22.146 1.00 42.03 O ATOM 563 CB GLU A 37 1.964 -8.639 23.403 1.00 42.03 C ATOM 564 CG GLU A 37 3.078 -9.670 23.292 1.00 42.03 C ATOM 565 CD GLU A 37 3.599 -10.127 24.642 1.00 42.03 C ATOM 566 OE1 GLU A 37 3.170 -9.562 25.671 1.00 42.03 O ATOM 567 OE2 GLU A 37 4.438 -11.052 24.670 1.00 42.03 O ATOM 0 H GLU A 37 3.369 -7.393 21.836 1.00 42.03 H new ATOM 0 HA GLU A 37 1.112 -9.038 21.466 1.00 42.03 H new ATOM 0 HB2 GLU A 37 2.331 -7.775 23.958 1.00 42.03 H new ATOM 0 HB3 GLU A 37 1.142 -9.063 23.980 1.00 42.03 H new ATOM 0 HG2 GLU A 37 2.712 -10.535 22.738 1.00 42.03 H new ATOM 0 HG3 GLU A 37 3.901 -9.247 22.715 1.00 42.03 H new ATOM 574 N GLU A 38 0.474 -5.982 22.484 1.00 75.99 N ATOM 575 CA GLU A 38 -0.616 -5.028 22.673 1.00 75.99 C ATOM 576 C GLU A 38 -1.067 -4.383 21.363 1.00 75.99 C ATOM 577 O GLU A 38 -1.974 -3.550 21.358 1.00 75.99 O ATOM 578 CB GLU A 38 -0.229 -3.950 23.689 1.00 75.99 C ATOM 579 CG GLU A 38 0.845 -2.993 23.197 1.00 75.99 C ATOM 580 CD GLU A 38 1.305 -2.022 24.270 1.00 75.99 C ATOM 581 OE1 GLU A 38 0.772 -2.082 25.400 1.00 75.99 O ATOM 582 OE2 GLU A 38 2.200 -1.200 23.981 1.00 75.99 O ATOM 0 H GLU A 38 1.409 -5.582 22.562 1.00 75.99 H new ATOM 0 HA GLU A 38 -1.461 -5.596 23.061 1.00 75.99 H new ATOM 0 HB2 GLU A 38 -1.118 -3.377 23.952 1.00 75.99 H new ATOM 0 HB3 GLU A 38 0.120 -4.434 24.601 1.00 75.99 H new ATOM 0 HG2 GLU A 38 1.701 -3.567 22.842 1.00 75.99 H new ATOM 0 HG3 GLU A 38 0.462 -2.431 22.345 1.00 75.99 H new ATOM 589 N ILE A 39 -0.453 -4.778 20.260 1.00131.16 N ATOM 590 CA ILE A 39 -0.820 -4.243 18.956 1.00131.16 C ATOM 591 C ILE A 39 -1.958 -5.066 18.365 1.00131.16 C ATOM 592 O ILE A 39 -1.790 -5.800 17.393 1.00131.16 O ATOM 593 CB ILE A 39 0.411 -4.179 18.014 1.00131.16 C ATOM 594 CG1 ILE A 39 1.332 -3.069 18.501 1.00131.16 C ATOM 595 CG2 ILE A 39 0.021 -3.928 16.559 1.00131.16 C ATOM 596 CD1 ILE A 39 2.714 -3.114 17.902 1.00131.16 C ATOM 0 H ILE A 39 0.300 -5.465 20.240 1.00131.16 H new ATOM 0 HA ILE A 39 -1.173 -3.219 19.074 1.00131.16 H new ATOM 0 HB ILE A 39 0.914 -5.145 18.043 1.00131.16 H new ATOM 0 HG12 ILE A 39 0.878 -2.106 18.269 1.00131.16 H new ATOM 0 HG13 ILE A 39 1.415 -3.129 19.586 1.00131.16 H new ATOM 0 HG21 ILE A 39 0.919 -3.892 15.943 1.00131.16 H new ATOM 0 HG22 ILE A 39 -0.626 -4.734 16.212 1.00131.16 H new ATOM 0 HG23 ILE A 39 -0.509 -2.979 16.483 1.00131.16 H new ATOM 0 HD11 ILE A 39 3.309 -2.291 18.298 1.00131.16 H new ATOM 0 HD12 ILE A 39 3.190 -4.061 18.155 1.00131.16 H new ATOM 0 HD13 ILE A 39 2.644 -3.022 16.818 1.00131.16 H new ATOM 608 N THR A 40 -3.122 -4.918 18.978 1.00160.31 N ATOM 609 CA THR A 40 -4.324 -5.627 18.545 1.00160.31 C ATOM 610 C THR A 40 -5.116 -4.827 17.501 1.00160.31 C ATOM 611 O THR A 40 -6.186 -5.249 17.061 1.00160.31 O ATOM 612 CB THR A 40 -5.237 -6.000 19.749 1.00160.31 C ATOM 613 OG1 THR A 40 -6.587 -6.205 19.315 1.00160.31 O ATOM 614 CG2 THR A 40 -5.210 -4.928 20.838 1.00160.31 C ATOM 0 H THR A 40 -3.264 -4.309 19.784 1.00160.31 H new ATOM 0 HA THR A 40 -3.987 -6.551 18.075 1.00160.31 H new ATOM 0 HB THR A 40 -4.845 -6.925 20.171 1.00160.31 H new ATOM 0 HG1 THR A 40 -6.621 -6.194 18.336 1.00160.31 H new ATOM 0 HG21 THR A 40 -5.860 -5.228 21.660 1.00160.31 H new ATOM 0 HG22 THR A 40 -4.191 -4.809 21.206 1.00160.31 H new ATOM 0 HG23 THR A 40 -5.559 -3.981 20.426 1.00160.31 H new ATOM 622 N THR A 41 -4.572 -3.685 17.100 1.00182.91 N ATOM 623 CA THR A 41 -5.194 -2.825 16.105 1.00182.91 C ATOM 624 C THR A 41 -4.156 -2.047 15.341 1.00182.91 C ATOM 625 O THR A 41 -3.115 -1.678 15.884 1.00182.91 O ATOM 626 CB THR A 41 -6.216 -1.823 16.714 1.00182.91 C ATOM 627 OG1 THR A 41 -6.296 -0.625 15.925 1.00182.91 O ATOM 628 CG2 THR A 41 -5.904 -1.441 18.162 1.00182.91 C ATOM 0 H THR A 41 -3.685 -3.330 17.457 1.00182.91 H new ATOM 0 HA THR A 41 -5.735 -3.495 15.437 1.00182.91 H new ATOM 0 HB THR A 41 -7.173 -2.345 16.707 1.00182.91 H new ATOM 0 HG1 THR A 41 -7.197 -0.247 15.995 1.00182.91 H new ATOM 0 HG21 THR A 41 -6.656 -0.740 18.524 1.00182.91 H new ATOM 0 HG22 THR A 41 -5.913 -2.336 18.784 1.00182.91 H new ATOM 0 HG23 THR A 41 -4.920 -0.975 18.211 1.00182.91 H new ATOM 636 N GLY A 42 -4.481 -1.736 14.094 1.00 66.60 N ATOM 637 CA GLY A 42 -3.591 -0.923 13.303 1.00 66.60 C ATOM 638 C GLY A 42 -3.436 0.424 13.977 1.00 66.60 C ATOM 639 O GLY A 42 -2.368 1.036 13.940 1.00 66.60 O ATOM 0 H GLY A 42 -5.337 -2.030 13.623 1.00 66.60 H new ATOM 0 HA2 GLY A 42 -2.621 -1.410 13.205 1.00 66.60 H new ATOM 0 HA3 GLY A 42 -3.988 -0.798 12.296 1.00 66.60 H new ATOM 643 N SER A 43 -4.513 0.851 14.654 1.00 41.24 N ATOM 644 CA SER A 43 -4.495 2.090 15.405 1.00 41.24 C ATOM 645 C SER A 43 -3.526 1.952 16.570 1.00 41.24 C ATOM 646 O SER A 43 -2.758 2.865 16.873 1.00 41.24 O ATOM 647 CB SER A 43 -5.895 2.441 15.917 1.00 41.24 C ATOM 648 OG SER A 43 -6.826 2.508 14.851 1.00 41.24 O ATOM 0 H SER A 43 -5.400 0.349 14.689 1.00 41.24 H new ATOM 0 HA SER A 43 -4.169 2.897 14.750 1.00 41.24 H new ATOM 0 HB2 SER A 43 -6.219 1.693 16.641 1.00 41.24 H new ATOM 0 HB3 SER A 43 -5.866 3.397 16.439 1.00 41.24 H new ATOM 0 HG SER A 43 -7.712 2.732 15.204 1.00 41.24 H new ATOM 654 N ALA A 44 -3.571 0.781 17.210 1.00 31.60 N ATOM 655 CA ALA A 44 -2.695 0.488 18.343 1.00 31.60 C ATOM 656 C ALA A 44 -1.243 0.488 17.913 1.00 31.60 C ATOM 657 O ALA A 44 -0.352 0.874 18.670 1.00 31.60 O ATOM 658 CB ALA A 44 -3.040 -0.862 18.949 1.00 31.60 C ATOM 0 H ALA A 44 -4.205 0.022 16.962 1.00 31.60 H new ATOM 0 HA ALA A 44 -2.845 1.267 19.090 1.00 31.60 H new ATOM 0 HB1 ALA A 44 -2.378 -1.063 19.791 1.00 31.60 H new ATOM 0 HB2 ALA A 44 -4.074 -0.852 19.295 1.00 31.60 H new ATOM 0 HB3 ALA A 44 -2.917 -1.641 18.196 1.00 31.60 H new ATOM 664 N TRP A 45 -1.015 0.045 16.687 1.00 71.86 N ATOM 665 CA TRP A 45 0.321 -0.018 16.137 1.00 71.86 C ATOM 666 C TRP A 45 0.755 1.347 15.684 1.00 71.86 C ATOM 667 O TRP A 45 1.785 1.850 16.121 1.00 71.86 O ATOM 668 CB TRP A 45 0.366 -0.978 14.964 1.00 71.86 C ATOM 669 CG TRP A 45 1.750 -1.231 14.473 1.00 71.86 C ATOM 670 CD1 TRP A 45 2.895 -1.333 15.213 1.00 71.86 C ATOM 671 CD2 TRP A 45 2.132 -1.407 13.118 1.00 71.86 C ATOM 672 NE1 TRP A 45 3.966 -1.552 14.385 1.00 71.86 N ATOM 673 CE2 TRP A 45 3.521 -1.600 13.093 1.00 71.86 C ATOM 674 CE3 TRP A 45 1.426 -1.417 11.923 1.00 71.86 C ATOM 675 CZ2 TRP A 45 4.221 -1.798 11.913 1.00 71.86 C ATOM 676 CZ3 TRP A 45 2.112 -1.616 10.752 1.00 71.86 C ATOM 677 CH2 TRP A 45 3.504 -1.805 10.747 1.00 71.86 C ATOM 0 H TRP A 45 -1.746 -0.277 16.053 1.00 71.86 H new ATOM 0 HA TRP A 45 0.998 -0.375 16.914 1.00 71.86 H new ATOM 0 HB2 TRP A 45 -0.088 -1.924 15.258 1.00 71.86 H new ATOM 0 HB3 TRP A 45 -0.235 -0.576 14.149 1.00 71.86 H new ATOM 0 HD1 TRP A 45 2.948 -1.253 16.289 1.00 71.86 H new ATOM 0 HE1 TRP A 45 4.935 -1.661 14.684 1.00 71.86 H new ATOM 0 HE3 TRP A 45 0.356 -1.271 11.915 1.00 71.86 H new ATOM 0 HZ2 TRP A 45 5.291 -1.941 11.914 1.00 71.86 H new ATOM 0 HZ3 TRP A 45 1.572 -1.628 9.817 1.00 71.86 H new ATOM 0 HH2 TRP A 45 4.016 -1.958 9.809 1.00 71.86 H new ATOM 688 N PHE A 46 -0.042 1.966 14.818 1.00 81.71 N ATOM 689 CA PHE A 46 0.280 3.293 14.343 1.00 81.71 C ATOM 690 C PHE A 46 0.442 4.238 15.522 1.00 81.71 C ATOM 691 O PHE A 46 1.333 5.064 15.532 1.00 81.71 O ATOM 692 CB PHE A 46 -0.811 3.818 13.423 1.00 81.71 C ATOM 693 CG PHE A 46 -0.929 3.076 12.129 1.00 81.71 C ATOM 694 CD1 PHE A 46 0.183 2.838 11.338 1.00 81.71 C ATOM 695 CD2 PHE A 46 -2.163 2.647 11.690 1.00 81.71 C ATOM 696 CE1 PHE A 46 0.058 2.175 10.130 1.00 81.71 C ATOM 697 CE2 PHE A 46 -2.296 1.996 10.484 1.00 81.71 C ATOM 698 CZ PHE A 46 -1.186 1.759 9.703 1.00 81.71 C ATOM 0 H PHE A 46 -0.903 1.570 14.439 1.00 81.71 H new ATOM 0 HA PHE A 46 1.214 3.238 13.784 1.00 81.71 H new ATOM 0 HB2 PHE A 46 -1.766 3.770 13.946 1.00 81.71 H new ATOM 0 HB3 PHE A 46 -0.617 4.869 13.210 1.00 81.71 H new ATOM 0 HD1 PHE A 46 1.156 3.173 11.667 1.00 81.71 H new ATOM 0 HD2 PHE A 46 -3.037 2.824 12.300 1.00 81.71 H new ATOM 0 HE1 PHE A 46 0.931 1.984 9.524 1.00 81.71 H new ATOM 0 HE2 PHE A 46 -3.270 1.671 10.150 1.00 81.71 H new ATOM 0 HZ PHE A 46 -1.290 1.248 8.757 1.00 81.71 H new ATOM 708 N SER A 47 -0.413 4.090 16.531 1.00 81.62 N ATOM 709 CA SER A 47 -0.312 4.937 17.713 1.00 81.62 C ATOM 710 C SER A 47 1.009 4.690 18.420 1.00 81.62 C ATOM 711 O SER A 47 1.688 5.634 18.816 1.00 81.62 O ATOM 712 CB SER A 47 -1.491 4.701 18.662 1.00 81.62 C ATOM 713 OG SER A 47 -2.720 5.054 18.048 1.00 81.62 O ATOM 0 H SER A 47 -1.169 3.405 16.554 1.00 81.62 H new ATOM 0 HA SER A 47 -0.348 5.979 17.395 1.00 81.62 H new ATOM 0 HB2 SER A 47 -1.518 3.653 18.960 1.00 81.62 H new ATOM 0 HB3 SER A 47 -1.353 5.287 19.571 1.00 81.62 H new ATOM 0 HG SER A 47 -3.098 4.270 17.597 1.00 81.62 H new ATOM 719 N PHE A 48 1.405 3.424 18.527 1.00 49.76 N ATOM 720 CA PHE A 48 2.680 3.096 19.131 1.00 49.76 C ATOM 721 C PHE A 48 3.785 3.660 18.228 1.00 49.76 C ATOM 722 O PHE A 48 4.693 4.355 18.682 1.00 49.76 O ATOM 723 CB PHE A 48 2.803 1.573 19.310 1.00 49.76 C ATOM 724 CG PHE A 48 4.216 1.103 19.273 1.00 49.76 C ATOM 725 CD1 PHE A 48 4.976 1.021 20.418 1.00 49.76 C ATOM 726 CD2 PHE A 48 4.785 0.811 18.063 1.00 49.76 C ATOM 727 CE1 PHE A 48 6.303 0.644 20.350 1.00 49.76 C ATOM 728 CE2 PHE A 48 6.101 0.429 17.978 1.00 49.76 C ATOM 729 CZ PHE A 48 6.869 0.345 19.123 1.00 49.76 C ATOM 0 H PHE A 48 0.864 2.621 18.205 1.00 49.76 H new ATOM 0 HA PHE A 48 2.769 3.538 20.123 1.00 49.76 H new ATOM 0 HB2 PHE A 48 2.353 1.285 20.260 1.00 49.76 H new ATOM 0 HB3 PHE A 48 2.237 1.072 18.525 1.00 49.76 H new ATOM 0 HD1 PHE A 48 4.532 1.253 21.375 1.00 49.76 H new ATOM 0 HD2 PHE A 48 4.191 0.882 17.164 1.00 49.76 H new ATOM 0 HE1 PHE A 48 6.896 0.583 21.250 1.00 49.76 H new ATOM 0 HE2 PHE A 48 6.535 0.195 17.017 1.00 49.76 H new ATOM 0 HZ PHE A 48 7.905 0.048 19.061 1.00 49.76 H new ATOM 739 N LEU A 49 3.658 3.367 16.935 1.00 52.14 N ATOM 740 CA LEU A 49 4.596 3.843 15.921 1.00 52.14 C ATOM 741 C LEU A 49 4.713 5.369 16.006 1.00 52.14 C ATOM 742 O LEU A 49 5.810 5.925 16.043 1.00 52.14 O ATOM 743 CB LEU A 49 4.084 3.423 14.532 1.00 52.14 C ATOM 744 CG LEU A 49 4.934 2.394 13.769 1.00 52.14 C ATOM 745 CD1 LEU A 49 5.442 1.296 14.693 1.00 52.14 C ATOM 746 CD2 LEU A 49 4.124 1.790 12.632 1.00 52.14 C ATOM 0 H LEU A 49 2.902 2.793 16.561 1.00 52.14 H new ATOM 0 HA LEU A 49 5.581 3.408 16.089 1.00 52.14 H new ATOM 0 HB2 LEU A 49 3.079 3.017 14.647 1.00 52.14 H new ATOM 0 HB3 LEU A 49 3.997 4.318 13.916 1.00 52.14 H new ATOM 0 HG LEU A 49 5.801 2.912 13.359 1.00 52.14 H new ATOM 0 HD11 LEU A 49 6.039 0.586 14.121 1.00 52.14 H new ATOM 0 HD12 LEU A 49 6.056 1.737 15.478 1.00 52.14 H new ATOM 0 HD13 LEU A 49 4.595 0.778 15.143 1.00 52.14 H new ATOM 0 HD21 LEU A 49 4.734 1.062 12.097 1.00 52.14 H new ATOM 0 HD22 LEU A 49 3.241 1.296 13.037 1.00 52.14 H new ATOM 0 HD23 LEU A 49 3.815 2.579 11.946 1.00 52.14 H new ATOM 758 N GLU A 50 3.552 6.027 16.063 1.00 63.10 N ATOM 759 CA GLU A 50 3.488 7.483 16.175 1.00 63.10 C ATOM 760 C GLU A 50 4.101 7.932 17.490 1.00 63.10 C ATOM 761 O GLU A 50 4.845 8.912 17.543 1.00 63.10 O ATOM 762 CB GLU A 50 2.041 7.984 16.088 1.00 63.10 C ATOM 763 CG GLU A 50 1.434 7.904 14.696 1.00 63.10 C ATOM 764 CD GLU A 50 0.026 8.469 14.635 1.00 63.10 C ATOM 765 OE1 GLU A 50 -0.535 8.792 15.704 1.00 63.10 O ATOM 766 OE2 GLU A 50 -0.517 8.586 13.516 1.00 63.10 O ATOM 0 H GLU A 50 2.641 5.570 16.033 1.00 63.10 H new ATOM 0 HA GLU A 50 4.051 7.907 15.344 1.00 63.10 H new ATOM 0 HB2 GLU A 50 1.425 7.402 16.774 1.00 63.10 H new ATOM 0 HB3 GLU A 50 2.006 9.019 16.428 1.00 63.10 H new ATOM 0 HG2 GLU A 50 2.069 8.447 13.996 1.00 63.10 H new ATOM 0 HG3 GLU A 50 1.418 6.864 14.371 1.00 63.10 H new ATOM 773 N SER A 51 3.798 7.188 18.548 1.00 75.02 N ATOM 774 CA SER A 51 4.337 7.488 19.872 1.00 75.02 C ATOM 775 C SER A 51 5.862 7.437 19.839 1.00 75.02 C ATOM 776 O SER A 51 6.537 8.126 20.605 1.00 75.02 O ATOM 777 CB SER A 51 3.802 6.502 20.913 1.00 75.02 C ATOM 778 OG SER A 51 2.388 6.561 20.996 1.00 75.02 O ATOM 0 H SER A 51 3.184 6.374 18.516 1.00 75.02 H new ATOM 0 HA SER A 51 4.018 8.492 20.154 1.00 75.02 H new ATOM 0 HB2 SER A 51 4.112 5.490 20.652 1.00 75.02 H new ATOM 0 HB3 SER A 51 4.236 6.727 21.887 1.00 75.02 H new ATOM 0 HG SER A 51 1.999 5.818 20.489 1.00 75.02 H new ATOM 784 N HIS A 52 6.393 6.618 18.933 1.00122.90 N ATOM 785 CA HIS A 52 7.827 6.472 18.775 1.00122.90 C ATOM 786 C HIS A 52 8.283 7.175 17.500 1.00122.90 C ATOM 787 O HIS A 52 7.486 7.824 16.825 1.00122.90 O ATOM 788 CB HIS A 52 8.202 4.992 18.730 1.00122.90 C ATOM 789 CG HIS A 52 7.997 4.303 20.033 1.00122.90 C ATOM 790 ND1 HIS A 52 6.886 4.184 20.778 1.00122.90 N flip ATOM 791 CD2 HIS A 52 8.998 3.652 20.721 1.00122.90 C flip ATOM 792 CE1 HIS A 52 7.219 3.465 21.900 1.00122.90 C flip ATOM 793 NE2 HIS A 52 8.501 3.154 21.840 1.00122.90 N flip ATOM 0 H HIS A 52 5.841 6.044 18.296 1.00122.90 H new ATOM 0 HA HIS A 52 8.328 6.931 19.627 1.00122.90 H new ATOM 0 HB2 HIS A 52 7.607 4.495 17.964 1.00122.90 H new ATOM 0 HB3 HIS A 52 9.247 4.896 18.434 1.00122.90 H new ATOM 0 HD2 HIS A 52 10.025 3.563 20.398 1.00122.90 H new ATOM 0 HE1 HIS A 52 6.544 3.198 22.699 1.00122.90 H new ATOM 0 HE2 HIS A 52 9.019 2.621 22.538 1.00122.90 H new ATOM 801 N ASN A 53 9.562 7.048 17.175 1.00225.56 N ATOM 802 CA ASN A 53 10.114 7.681 15.980 1.00225.56 C ATOM 803 C ASN A 53 10.048 6.755 14.769 1.00225.56 C ATOM 804 O ASN A 53 10.900 6.825 13.882 1.00225.56 O ATOM 805 CB ASN A 53 11.562 8.108 16.221 1.00225.56 C ATOM 806 CG ASN A 53 11.690 9.115 17.346 1.00225.56 C ATOM 807 OD1 ASN A 53 10.704 9.715 17.771 1.00225.56 O ATOM 808 ND2 ASN A 53 12.908 9.305 17.837 1.00225.56 N ATOM 0 H ASN A 53 10.238 6.513 17.720 1.00225.56 H new ATOM 0 HA ASN A 53 9.506 8.561 15.769 1.00225.56 H new ATOM 0 HB2 ASN A 53 12.163 7.229 16.454 1.00225.56 H new ATOM 0 HB3 ASN A 53 11.968 8.538 15.305 1.00225.56 H new ATOM 0 HD21 ASN A 53 13.054 9.970 18.597 1.00225.56 H new ATOM 0 HD22 ASN A 53 13.699 8.786 17.455 1.00225.56 H new ATOM 815 N LYS A 54 9.048 5.880 14.732 1.00217.59 N ATOM 816 CA LYS A 54 8.907 4.945 13.626 1.00217.59 C ATOM 817 C LYS A 54 7.923 5.435 12.576 1.00217.59 C ATOM 818 O LYS A 54 7.891 4.899 11.470 1.00217.59 O ATOM 819 CB LYS A 54 8.419 3.596 14.135 1.00217.59 C ATOM 820 CG LYS A 54 9.316 2.969 15.186 1.00217.59 C ATOM 821 CD LYS A 54 10.702 2.694 14.636 1.00217.59 C ATOM 822 CE LYS A 54 10.653 1.687 13.497 1.00217.59 C ATOM 823 NZ LYS A 54 11.898 0.873 13.414 1.00217.59 N ATOM 0 H LYS A 54 8.329 5.800 15.451 1.00217.59 H new ATOM 0 HA LYS A 54 9.893 4.856 13.169 1.00217.59 H new ATOM 0 HB2 LYS A 54 7.419 3.717 14.552 1.00217.59 H new ATOM 0 HB3 LYS A 54 8.332 2.911 13.291 1.00217.59 H new ATOM 0 HG2 LYS A 54 9.390 3.633 16.047 1.00217.59 H new ATOM 0 HG3 LYS A 54 8.871 2.038 15.538 1.00217.59 H new ATOM 0 HD2 LYS A 54 11.147 3.624 14.283 1.00217.59 H new ATOM 0 HD3 LYS A 54 11.343 2.316 15.432 1.00217.59 H new ATOM 0 HE2 LYS A 54 9.797 1.026 13.635 1.00217.59 H new ATOM 0 HE3 LYS A 54 10.501 2.213 12.555 1.00217.59 H new ATOM 0 HZ1 LYS A 54 11.842 0.236 12.594 1.00217.59 H new ATOM 0 HZ2 LYS A 54 12.718 1.503 13.308 1.00217.59 H new ATOM 0 HZ3 LYS A 54 12.004 0.311 14.282 1.00217.59 H new ATOM 837 N LEU A 55 7.107 6.437 12.902 1.00 97.75 N ATOM 838 CA LEU A 55 6.137 6.919 11.926 1.00 97.75 C ATOM 839 C LEU A 55 5.672 8.350 12.173 1.00 97.75 C ATOM 840 O LEU A 55 4.889 8.632 13.080 1.00 97.75 O ATOM 841 CB LEU A 55 4.933 5.987 11.896 1.00 97.75 C ATOM 842 CG LEU A 55 3.789 6.423 10.979 1.00 97.75 C ATOM 843 CD1 LEU A 55 3.021 5.214 10.462 1.00 97.75 C ATOM 844 CD2 LEU A 55 2.862 7.366 11.728 1.00 97.75 C ATOM 0 H LEU A 55 7.097 6.915 13.803 1.00 97.75 H new ATOM 0 HA LEU A 55 6.648 6.924 10.963 1.00 97.75 H new ATOM 0 HB2 LEU A 55 5.268 4.998 11.585 1.00 97.75 H new ATOM 0 HB3 LEU A 55 4.546 5.888 12.910 1.00 97.75 H new ATOM 0 HG LEU A 55 4.207 6.947 10.119 1.00 97.75 H new ATOM 0 HD11 LEU A 55 2.212 5.548 9.812 1.00 97.75 H new ATOM 0 HD12 LEU A 55 3.695 4.568 9.900 1.00 97.75 H new ATOM 0 HD13 LEU A 55 2.605 4.660 11.304 1.00 97.75 H new ATOM 0 HD21 LEU A 55 2.048 7.674 11.071 1.00 97.75 H new ATOM 0 HD22 LEU A 55 2.451 6.856 12.600 1.00 97.75 H new ATOM 0 HD23 LEU A 55 3.420 8.245 12.051 1.00 97.75 H new ATOM 856 N ASP A 56 6.130 9.225 11.294 1.00109.16 N ATOM 857 CA ASP A 56 5.753 10.636 11.302 1.00109.16 C ATOM 858 C ASP A 56 4.432 10.807 10.552 1.00109.16 C ATOM 859 O ASP A 56 3.864 9.832 10.071 1.00109.16 O ATOM 860 CB ASP A 56 6.849 11.495 10.666 1.00109.16 C ATOM 861 CG ASP A 56 8.205 11.270 11.308 1.00109.16 C ATOM 862 OD1 ASP A 56 8.260 11.128 12.547 1.00109.16 O ATOM 863 OD2 ASP A 56 9.213 11.235 10.570 1.00109.16 O ATOM 0 H ASP A 56 6.779 8.978 10.547 1.00109.16 H new ATOM 0 HA ASP A 56 5.629 10.967 12.333 1.00109.16 H new ATOM 0 HB2 ASP A 56 6.912 11.269 9.601 1.00109.16 H new ATOM 0 HB3 ASP A 56 6.579 12.547 10.753 1.00109.16 H new ATOM 868 N LYS A 57 3.962 12.041 10.424 1.00 65.03 N ATOM 869 CA LYS A 57 2.718 12.307 9.695 1.00 65.03 C ATOM 870 C LYS A 57 2.916 12.125 8.184 1.00 65.03 C ATOM 871 O LYS A 57 1.955 11.927 7.443 1.00 65.03 O ATOM 872 CB LYS A 57 2.173 13.707 10.024 1.00 65.03 C ATOM 873 CG LYS A 57 2.826 14.835 9.250 1.00 65.03 C ATOM 874 CD LYS A 57 4.296 14.941 9.589 1.00 65.03 C ATOM 875 CE LYS A 57 4.952 16.111 8.875 1.00 65.03 C ATOM 876 NZ LYS A 57 6.155 16.605 9.601 1.00 65.03 N ATOM 0 H LYS A 57 4.415 12.870 10.810 1.00 65.03 H new ATOM 0 HA LYS A 57 1.975 11.579 10.021 1.00 65.03 H new ATOM 0 HB2 LYS A 57 1.101 13.721 9.827 1.00 65.03 H new ATOM 0 HB3 LYS A 57 2.303 13.892 11.090 1.00 65.03 H new ATOM 0 HG2 LYS A 57 2.707 14.664 8.180 1.00 65.03 H new ATOM 0 HG3 LYS A 57 2.327 15.776 9.480 1.00 65.03 H new ATOM 0 HD2 LYS A 57 4.414 15.059 10.666 1.00 65.03 H new ATOM 0 HD3 LYS A 57 4.801 14.016 9.312 1.00 65.03 H new ATOM 0 HE2 LYS A 57 5.236 15.808 7.867 1.00 65.03 H new ATOM 0 HE3 LYS A 57 4.232 16.923 8.772 1.00 65.03 H new ATOM 0 HZ1 LYS A 57 6.572 17.403 9.080 1.00 65.03 H new ATOM 0 HZ2 LYS A 57 5.881 16.919 10.554 1.00 65.03 H new ATOM 0 HZ3 LYS A 57 6.854 15.838 9.677 1.00 65.03 H new ATOM 890 N ASP A 58 4.169 12.194 7.735 1.00165.72 N ATOM 891 CA ASP A 58 4.493 12.037 6.322 1.00165.72 C ATOM 892 C ASP A 58 5.404 10.832 6.083 1.00165.72 C ATOM 893 O ASP A 58 5.530 10.358 4.952 1.00165.72 O ATOM 894 CB ASP A 58 5.168 13.304 5.802 1.00165.72 C ATOM 895 CG ASP A 58 6.422 13.658 6.579 1.00165.72 C ATOM 896 OD1 ASP A 58 6.642 13.066 7.656 1.00165.72 O ATOM 897 OD2 ASP A 58 7.186 14.528 6.108 1.00165.72 O ATOM 0 H ASP A 58 4.978 12.358 8.334 1.00165.72 H new ATOM 0 HA ASP A 58 3.561 11.866 5.783 1.00165.72 H new ATOM 0 HB2 ASP A 58 5.422 13.170 4.751 1.00165.72 H new ATOM 0 HB3 ASP A 58 4.464 14.135 5.857 1.00165.72 H new ATOM 902 N ASN A 59 6.041 10.339 7.143 1.00 98.89 N ATOM 903 CA ASN A 59 6.937 9.189 7.023 1.00 98.89 C ATOM 904 C ASN A 59 6.183 7.884 7.192 1.00 98.89 C ATOM 905 O ASN A 59 5.745 7.531 8.286 1.00 98.89 O ATOM 906 CB ASN A 59 8.066 9.266 8.051 1.00 98.89 C ATOM 907 CG ASN A 59 9.124 10.282 7.675 1.00 98.89 C ATOM 908 OD1 ASN A 59 10.267 9.929 7.385 1.00 98.89 O ATOM 909 ND2 ASN A 59 8.742 11.552 7.678 1.00 98.89 N ATOM 0 H ASN A 59 5.955 10.714 8.088 1.00 98.89 H new ATOM 0 HA ASN A 59 7.366 9.217 6.022 1.00 98.89 H new ATOM 0 HB2 ASN A 59 7.649 9.523 9.025 1.00 98.89 H new ATOM 0 HB3 ASN A 59 8.529 8.284 8.152 1.00 98.89 H new ATOM 0 HD21 ASN A 59 9.407 12.285 7.433 1.00 98.89 H new ATOM 0 HD22 ASN A 59 7.783 11.796 7.926 1.00 98.89 H new ATOM 916 N LEU A 60 6.064 7.167 6.089 1.00196.24 N ATOM 917 CA LEU A 60 5.395 5.879 6.068 1.00196.24 C ATOM 918 C LEU A 60 6.275 4.824 5.394 1.00196.24 C ATOM 919 O LEU A 60 5.811 3.725 5.092 1.00196.24 O ATOM 920 CB LEU A 60 4.058 5.984 5.331 1.00196.24 C ATOM 921 CG LEU A 60 4.073 6.883 4.083 1.00196.24 C ATOM 922 CD1 LEU A 60 3.559 6.129 2.865 1.00196.24 C ATOM 923 CD2 LEU A 60 3.255 8.141 4.327 1.00196.24 C ATOM 0 H LEU A 60 6.428 7.461 5.183 1.00196.24 H new ATOM 0 HA LEU A 60 5.211 5.576 7.099 1.00196.24 H new ATOM 0 HB2 LEU A 60 3.743 4.983 5.036 1.00196.24 H new ATOM 0 HB3 LEU A 60 3.307 6.363 6.024 1.00196.24 H new ATOM 0 HG LEU A 60 5.104 7.177 3.883 1.00196.24 H new ATOM 0 HD11 LEU A 60 3.579 6.786 1.995 1.00196.24 H new ATOM 0 HD12 LEU A 60 4.193 5.262 2.680 1.00196.24 H new ATOM 0 HD13 LEU A 60 2.536 5.799 3.046 1.00196.24 H new ATOM 0 HD21 LEU A 60 3.275 8.767 3.435 1.00196.24 H new ATOM 0 HD22 LEU A 60 2.225 7.867 4.555 1.00196.24 H new ATOM 0 HD23 LEU A 60 3.678 8.693 5.167 1.00196.24 H new ATOM 935 N SER A 61 7.543 5.165 5.137 1.00 66.14 N ATOM 936 CA SER A 61 8.457 4.239 4.477 1.00 66.14 C ATOM 937 C SER A 61 8.583 2.918 5.232 1.00 66.14 C ATOM 938 O SER A 61 8.581 1.849 4.621 1.00 66.14 O ATOM 939 CB SER A 61 9.838 4.879 4.314 1.00 66.14 C ATOM 940 OG SER A 61 10.724 4.015 3.622 1.00 66.14 O ATOM 0 H SER A 61 7.953 6.068 5.375 1.00 66.14 H new ATOM 0 HA SER A 61 8.038 4.020 3.495 1.00 66.14 H new ATOM 0 HB2 SER A 61 9.744 5.819 3.771 1.00 66.14 H new ATOM 0 HB3 SER A 61 10.250 5.117 5.295 1.00 66.14 H new ATOM 0 HG SER A 61 11.598 4.448 3.530 1.00 66.14 H new ATOM 946 N TYR A 62 8.698 2.987 6.551 1.00 59.69 N ATOM 947 CA TYR A 62 8.828 1.784 7.359 1.00 59.69 C ATOM 948 C TYR A 62 7.532 0.973 7.364 1.00 59.69 C ATOM 949 O TYR A 62 7.574 -0.244 7.278 1.00 59.69 O ATOM 950 CB TYR A 62 9.274 2.155 8.793 1.00 59.69 C ATOM 951 CG TYR A 62 8.775 1.226 9.891 1.00 59.69 C ATOM 952 CD1 TYR A 62 9.056 -0.137 9.878 1.00 59.69 C ATOM 953 CD2 TYR A 62 7.997 1.721 10.922 1.00 59.69 C ATOM 954 CE1 TYR A 62 8.572 -0.971 10.869 1.00 59.69 C ATOM 955 CE2 TYR A 62 7.515 0.899 11.914 1.00 59.69 C ATOM 956 CZ TYR A 62 7.804 -0.448 11.886 1.00 59.69 C ATOM 957 OH TYR A 62 7.319 -1.274 12.875 1.00 59.69 O ATOM 0 H TYR A 62 8.704 3.858 7.081 1.00 59.69 H new ATOM 0 HA TYR A 62 9.595 1.150 6.915 1.00 59.69 H new ATOM 0 HB2 TYR A 62 10.363 2.174 8.823 1.00 59.69 H new ATOM 0 HB3 TYR A 62 8.931 3.166 9.012 1.00 59.69 H new ATOM 0 HD1 TYR A 62 9.660 -0.549 9.083 1.00 59.69 H new ATOM 0 HD2 TYR A 62 7.763 2.775 10.949 1.00 59.69 H new ATOM 0 HE1 TYR A 62 8.795 -2.027 10.846 1.00 59.69 H new ATOM 0 HE2 TYR A 62 6.912 1.308 12.712 1.00 59.69 H new ATOM 0 HH TYR A 62 7.174 -2.172 12.510 1.00 59.69 H new ATOM 967 N ILE A 63 6.396 1.644 7.487 1.00 95.89 N ATOM 968 CA ILE A 63 5.114 0.953 7.529 1.00 95.89 C ATOM 969 C ILE A 63 4.763 0.410 6.165 1.00 95.89 C ATOM 970 O ILE A 63 4.413 -0.761 6.015 1.00 95.89 O ATOM 971 CB ILE A 63 3.985 1.863 8.075 1.00 95.89 C ATOM 972 CG1 ILE A 63 3.374 2.779 7.004 1.00 95.89 C ATOM 973 CG2 ILE A 63 4.500 2.714 9.230 1.00 95.89 C ATOM 974 CD1 ILE A 63 2.192 3.555 7.521 1.00 95.89 C ATOM 0 H ILE A 63 6.335 2.660 7.559 1.00 95.89 H new ATOM 0 HA ILE A 63 5.211 0.116 8.221 1.00 95.89 H new ATOM 0 HB ILE A 63 3.196 1.194 8.419 1.00 95.89 H new ATOM 0 HG12 ILE A 63 4.134 3.474 6.647 1.00 95.89 H new ATOM 0 HG13 ILE A 63 3.065 2.178 6.149 1.00 95.89 H new ATOM 0 HG21 ILE A 63 3.695 3.348 9.602 1.00 95.89 H new ATOM 0 HG22 ILE A 63 4.851 2.065 10.032 1.00 95.89 H new ATOM 0 HG23 ILE A 63 5.323 3.339 8.883 1.00 95.89 H new ATOM 0 HD11 ILE A 63 1.796 4.187 6.726 1.00 95.89 H new ATOM 0 HD12 ILE A 63 1.419 2.862 7.853 1.00 95.89 H new ATOM 0 HD13 ILE A 63 2.504 4.178 8.359 1.00 95.89 H new ATOM 986 N GLU A 64 4.904 1.262 5.162 1.00 77.41 N ATOM 987 CA GLU A 64 4.649 0.866 3.785 1.00 77.41 C ATOM 988 C GLU A 64 5.448 -0.397 3.475 1.00 77.41 C ATOM 989 O GLU A 64 5.023 -1.245 2.694 1.00 77.41 O ATOM 990 CB GLU A 64 5.053 1.987 2.825 1.00 77.41 C ATOM 991 CG GLU A 64 4.704 1.703 1.373 1.00 77.41 C ATOM 992 CD GLU A 64 5.240 2.761 0.424 1.00 77.41 C ATOM 993 OE1 GLU A 64 6.072 3.586 0.858 1.00 77.41 O ATOM 994 OE2 GLU A 64 4.825 2.764 -0.755 1.00 77.41 O ATOM 0 H GLU A 64 5.194 2.233 5.275 1.00 77.41 H new ATOM 0 HA GLU A 64 3.584 0.670 3.657 1.00 77.41 H new ATOM 0 HB2 GLU A 64 4.564 2.911 3.133 1.00 77.41 H new ATOM 0 HB3 GLU A 64 6.127 2.153 2.906 1.00 77.41 H new ATOM 0 HG2 GLU A 64 5.106 0.730 1.090 1.00 77.41 H new ATOM 0 HG3 GLU A 64 3.621 1.643 1.269 1.00 77.41 H new ATOM 1001 N HIS A 65 6.597 -0.525 4.139 1.00 68.54 N ATOM 1002 CA HIS A 65 7.436 -1.695 3.975 1.00 68.54 C ATOM 1003 C HIS A 65 6.766 -2.898 4.608 1.00 68.54 C ATOM 1004 O HIS A 65 6.728 -3.971 4.018 1.00 68.54 O ATOM 1005 CB HIS A 65 8.819 -1.439 4.585 1.00 68.54 C ATOM 1006 CG HIS A 65 9.686 -2.655 4.688 1.00 68.54 C ATOM 1007 ND1 HIS A 65 10.408 -3.173 3.634 1.00 68.54 N ATOM 1008 CD2 HIS A 65 9.935 -3.458 5.747 1.00 68.54 C ATOM 1009 CE1 HIS A 65 11.062 -4.247 4.041 1.00 68.54 C ATOM 1010 NE2 HIS A 65 10.793 -4.441 5.319 1.00 68.54 N ATOM 0 H HIS A 65 6.961 0.169 4.792 1.00 68.54 H new ATOM 0 HA HIS A 65 7.572 -1.901 2.913 1.00 68.54 H new ATOM 0 HB2 HIS A 65 9.335 -0.690 3.984 1.00 68.54 H new ATOM 0 HB3 HIS A 65 8.690 -1.015 5.581 1.00 68.54 H new ATOM 0 HD2 HIS A 65 9.534 -3.347 6.744 1.00 68.54 H new ATOM 0 HE1 HIS A 65 11.707 -4.862 3.431 1.00 68.54 H new ATOM 0 HE2 HIS A 65 11.162 -5.198 5.895 1.00 68.54 H new ATOM 1018 N ILE A 66 6.226 -2.701 5.807 1.00 44.28 N ATOM 1019 CA ILE A 66 5.540 -3.768 6.523 1.00 44.28 C ATOM 1020 C ILE A 66 4.405 -4.302 5.683 1.00 44.28 C ATOM 1021 O ILE A 66 4.283 -5.507 5.464 1.00 44.28 O ATOM 1022 CB ILE A 66 5.000 -3.253 7.869 1.00 44.28 C ATOM 1023 CG1 ILE A 66 6.161 -2.682 8.681 1.00 44.28 C ATOM 1024 CG2 ILE A 66 4.254 -4.345 8.636 1.00 44.28 C ATOM 1025 CD1 ILE A 66 7.350 -3.594 8.803 1.00 44.28 C ATOM 0 H ILE A 66 6.251 -1.810 6.303 1.00 44.28 H new ATOM 0 HA ILE A 66 6.251 -4.571 6.718 1.00 44.28 H new ATOM 0 HB ILE A 66 4.272 -2.464 7.683 1.00 44.28 H new ATOM 0 HG12 ILE A 66 6.483 -1.747 8.222 1.00 44.28 H new ATOM 0 HG13 ILE A 66 5.802 -2.439 9.681 1.00 44.28 H new ATOM 0 HG21 ILE A 66 3.889 -3.941 9.580 1.00 44.28 H new ATOM 0 HG22 ILE A 66 3.411 -4.696 8.041 1.00 44.28 H new ATOM 0 HG23 ILE A 66 4.930 -5.177 8.834 1.00 44.28 H new ATOM 0 HD11 ILE A 66 8.124 -3.106 9.395 1.00 44.28 H new ATOM 0 HD12 ILE A 66 7.049 -4.521 9.292 1.00 44.28 H new ATOM 0 HD13 ILE A 66 7.740 -3.818 7.810 1.00 44.28 H new ATOM 1037 N PHE A 67 3.594 -3.386 5.188 1.00103.95 N ATOM 1038 CA PHE A 67 2.486 -3.751 4.335 1.00103.95 C ATOM 1039 C PHE A 67 3.009 -4.410 3.058 1.00103.95 C ATOM 1040 O PHE A 67 2.368 -5.301 2.499 1.00103.95 O ATOM 1041 CB PHE A 67 1.654 -2.515 4.026 1.00103.95 C ATOM 1042 CG PHE A 67 1.204 -1.831 5.277 1.00103.95 C ATOM 1043 CD1 PHE A 67 0.538 -2.542 6.261 1.00103.95 C ATOM 1044 CD2 PHE A 67 1.471 -0.491 5.485 1.00103.95 C ATOM 1045 CE1 PHE A 67 0.146 -1.929 7.432 1.00103.95 C ATOM 1046 CE2 PHE A 67 1.074 0.132 6.654 1.00103.95 C ATOM 1047 CZ PHE A 67 0.412 -0.592 7.628 1.00103.95 C ATOM 0 H PHE A 67 3.684 -2.385 5.363 1.00103.95 H new ATOM 0 HA PHE A 67 1.847 -4.472 4.844 1.00103.95 H new ATOM 0 HB2 PHE A 67 2.240 -1.822 3.422 1.00103.95 H new ATOM 0 HB3 PHE A 67 0.785 -2.799 3.433 1.00103.95 H new ATOM 0 HD1 PHE A 67 0.323 -3.589 6.109 1.00103.95 H new ATOM 0 HD2 PHE A 67 1.994 0.074 4.728 1.00103.95 H new ATOM 0 HE1 PHE A 67 -0.368 -2.496 8.194 1.00103.95 H new ATOM 0 HE2 PHE A 67 1.281 1.181 6.806 1.00103.95 H new ATOM 0 HZ PHE A 67 0.103 -0.109 8.543 1.00103.95 H new ATOM 1057 N GLU A 68 4.196 -3.970 2.610 1.00 76.40 N ATOM 1058 CA GLU A 68 4.818 -4.527 1.411 1.00 76.40 C ATOM 1059 C GLU A 68 5.316 -5.941 1.670 1.00 76.40 C ATOM 1060 O GLU A 68 4.975 -6.874 0.945 1.00 76.40 O ATOM 1061 CB GLU A 68 5.992 -3.648 0.966 1.00 76.40 C ATOM 1062 CG GLU A 68 6.714 -4.169 -0.267 1.00 76.40 C ATOM 1063 CD GLU A 68 7.961 -3.368 -0.605 1.00 76.40 C ATOM 1064 OE1 GLU A 68 8.270 -2.403 0.128 1.00 76.40 O ATOM 1065 OE2 GLU A 68 8.633 -3.711 -1.601 1.00 76.40 O ATOM 0 H GLU A 68 4.738 -3.233 3.062 1.00 76.40 H new ATOM 0 HA GLU A 68 4.066 -4.555 0.622 1.00 76.40 H new ATOM 0 HB2 GLU A 68 5.624 -2.642 0.763 1.00 76.40 H new ATOM 0 HB3 GLU A 68 6.705 -3.567 1.786 1.00 76.40 H new ATOM 0 HG2 GLU A 68 6.990 -5.211 -0.107 1.00 76.40 H new ATOM 0 HG3 GLU A 68 6.032 -4.147 -1.117 1.00 76.40 H new ATOM 1072 N ILE A 69 6.123 -6.093 2.715 1.00 33.63 N ATOM 1073 CA ILE A 69 6.660 -7.394 3.065 1.00 33.63 C ATOM 1074 C ILE A 69 5.546 -8.331 3.497 1.00 33.63 C ATOM 1075 O ILE A 69 5.601 -9.538 3.259 1.00 33.63 O ATOM 1076 CB ILE A 69 7.713 -7.286 4.165 1.00 33.63 C ATOM 1077 CG1 ILE A 69 7.110 -6.699 5.444 1.00 33.63 C ATOM 1078 CG2 ILE A 69 8.894 -6.460 3.667 1.00 33.63 C ATOM 1079 CD1 ILE A 69 8.140 -6.393 6.507 1.00 33.63 C ATOM 0 H ILE A 69 6.416 -5.333 3.329 1.00 33.63 H new ATOM 0 HA ILE A 69 7.142 -7.802 2.176 1.00 33.63 H new ATOM 0 HB ILE A 69 8.074 -8.284 4.412 1.00 33.63 H new ATOM 0 HG12 ILE A 69 6.571 -5.784 5.196 1.00 33.63 H new ATOM 0 HG13 ILE A 69 6.379 -7.400 5.847 1.00 33.63 H new ATOM 0 HG21 ILE A 69 9.644 -6.385 4.455 1.00 33.63 H new ATOM 0 HG22 ILE A 69 9.333 -6.942 2.793 1.00 33.63 H new ATOM 0 HG23 ILE A 69 8.551 -5.461 3.396 1.00 33.63 H new ATOM 0 HD11 ILE A 69 7.644 -5.980 7.386 1.00 33.63 H new ATOM 0 HD12 ILE A 69 8.662 -7.309 6.782 1.00 33.63 H new ATOM 0 HD13 ILE A 69 8.857 -5.669 6.121 1.00 33.63 H new ATOM 1091 N SER A 70 4.515 -7.755 4.097 1.00 80.34 N ATOM 1092 CA SER A 70 3.358 -8.522 4.521 1.00 80.34 C ATOM 1093 C SER A 70 2.480 -8.766 3.299 1.00 80.34 C ATOM 1094 O SER A 70 2.413 -7.921 2.406 1.00 80.34 O ATOM 1095 CB SER A 70 2.571 -7.767 5.594 1.00 80.34 C ATOM 1096 OG SER A 70 1.816 -6.711 5.024 1.00 80.34 O ATOM 0 H SER A 70 4.458 -6.757 4.301 1.00 80.34 H new ATOM 0 HA SER A 70 3.680 -9.470 4.952 1.00 80.34 H new ATOM 0 HB2 SER A 70 1.905 -8.456 6.113 1.00 80.34 H new ATOM 0 HB3 SER A 70 3.258 -7.366 6.339 1.00 80.34 H new ATOM 0 HG SER A 70 0.864 -6.854 5.207 1.00 80.34 H new ATOM 1102 N ARG A 71 1.832 -9.919 3.238 1.00144.05 N ATOM 1103 CA ARG A 71 0.995 -10.245 2.091 1.00144.05 C ATOM 1104 C ARG A 71 -0.374 -9.586 2.184 1.00144.05 C ATOM 1105 O ARG A 71 -1.406 -10.257 2.217 1.00144.05 O ATOM 1106 CB ARG A 71 0.867 -11.755 1.933 1.00144.05 C ATOM 1107 CG ARG A 71 2.193 -12.419 1.612 1.00144.05 C ATOM 1108 CD ARG A 71 2.787 -11.881 0.318 1.00144.05 C ATOM 1109 NE ARG A 71 3.987 -12.612 -0.083 1.00144.05 N ATOM 1110 CZ ARG A 71 3.976 -13.830 -0.626 1.00144.05 C ATOM 1111 NH1 ARG A 71 2.830 -14.470 -0.830 1.00144.05 N ATOM 1112 NH2 ARG A 71 5.119 -14.410 -0.963 1.00144.05 N ATOM 0 H ARG A 71 1.868 -10.639 3.960 1.00144.05 H new ATOM 0 HA ARG A 71 1.483 -9.846 1.202 1.00144.05 H new ATOM 0 HB2 ARG A 71 0.464 -12.181 2.852 1.00144.05 H new ATOM 0 HB3 ARG A 71 0.152 -11.975 1.140 1.00144.05 H new ATOM 0 HG2 ARG A 71 2.892 -12.253 2.431 1.00144.05 H new ATOM 0 HG3 ARG A 71 2.051 -13.496 1.528 1.00144.05 H new ATOM 0 HD2 ARG A 71 2.043 -11.944 -0.476 1.00144.05 H new ATOM 0 HD3 ARG A 71 3.031 -10.826 0.443 1.00144.05 H new ATOM 0 HE ARG A 71 4.891 -12.162 0.062 1.00144.05 H new ATOM 0 HH11 ARG A 71 1.947 -14.030 -0.571 1.00144.05 H new ATOM 0 HH12 ARG A 71 2.833 -15.401 -1.246 1.00144.05 H new ATOM 0 HH21 ARG A 71 6.003 -13.925 -0.807 1.00144.05 H new ATOM 0 HH22 ARG A 71 5.115 -15.342 -1.379 1.00144.05 H new ATOM 1126 N ARG A 72 -0.366 -8.259 2.210 1.00183.66 N ATOM 1127 CA ARG A 72 -1.595 -7.486 2.280 1.00183.66 C ATOM 1128 C ARG A 72 -1.470 -6.211 1.440 1.00183.66 C ATOM 1129 O ARG A 72 -1.483 -5.102 1.975 1.00183.66 O ATOM 1130 CB ARG A 72 -1.918 -7.142 3.735 1.00183.66 C ATOM 1131 CG ARG A 72 -2.819 -8.162 4.408 1.00183.66 C ATOM 1132 CD ARG A 72 -4.280 -7.915 4.073 1.00183.66 C ATOM 1133 NE ARG A 72 -4.560 -8.116 2.653 1.00183.66 N ATOM 1134 CZ ARG A 72 -4.671 -9.311 2.074 1.00183.66 C ATOM 1135 NH1 ARG A 72 -4.563 -10.424 2.788 1.00183.66 N ATOM 1136 NH2 ARG A 72 -4.893 -9.392 0.770 1.00183.66 N ATOM 0 H ARG A 72 0.484 -7.695 2.183 1.00183.66 H new ATOM 0 HA ARG A 72 -2.411 -8.085 1.876 1.00183.66 H new ATOM 0 HB2 ARG A 72 -0.988 -7.062 4.297 1.00183.66 H new ATOM 0 HB3 ARG A 72 -2.397 -6.164 3.772 1.00183.66 H new ATOM 0 HG2 ARG A 72 -2.536 -9.166 4.091 1.00183.66 H new ATOM 0 HG3 ARG A 72 -2.679 -8.117 5.488 1.00183.66 H new ATOM 0 HD2 ARG A 72 -4.905 -8.585 4.664 1.00183.66 H new ATOM 0 HD3 ARG A 72 -4.549 -6.897 4.355 1.00183.66 H new ATOM 0 HE ARG A 72 -4.678 -7.289 2.068 1.00183.66 H new ATOM 0 HH11 ARG A 72 -4.393 -10.371 3.792 1.00183.66 H new ATOM 0 HH12 ARG A 72 -4.650 -11.333 2.333 1.00183.66 H new ATOM 0 HH21 ARG A 72 -4.978 -8.542 0.213 1.00183.66 H new ATOM 0 HH22 ARG A 72 -4.979 -10.305 0.323 1.00183.66 H new ATOM 1150 N PRO A 73 -1.332 -6.353 0.102 1.00130.67 N ATOM 1151 CA PRO A 73 -1.187 -5.208 -0.803 1.00130.67 C ATOM 1152 C PRO A 73 -2.371 -4.245 -0.756 1.00130.67 C ATOM 1153 O PRO A 73 -2.256 -3.101 -1.192 1.00130.67 O ATOM 1154 CB PRO A 73 -1.080 -5.844 -2.194 1.00130.67 C ATOM 1155 CG PRO A 73 -0.663 -7.250 -1.942 1.00130.67 C ATOM 1156 CD PRO A 73 -1.286 -7.632 -0.631 1.00130.67 C ATOM 0 HA PRO A 73 -0.324 -4.602 -0.525 1.00130.67 H new ATOM 0 HB2 PRO A 73 -2.033 -5.803 -2.721 1.00130.67 H new ATOM 0 HB3 PRO A 73 -0.351 -5.321 -2.813 1.00130.67 H new ATOM 0 HG2 PRO A 73 -1.002 -7.908 -2.742 1.00130.67 H new ATOM 0 HG3 PRO A 73 0.423 -7.334 -1.898 1.00130.67 H new ATOM 0 HD2 PRO A 73 -2.281 -8.056 -0.766 1.00130.67 H new ATOM 0 HD3 PRO A 73 -0.691 -8.378 -0.104 1.00130.67 H new ATOM 1164 N ASP A 74 -3.507 -4.700 -0.233 1.00 56.92 N ATOM 1165 CA ASP A 74 -4.688 -3.845 -0.157 1.00 56.92 C ATOM 1166 C ASP A 74 -4.431 -2.666 0.773 1.00 56.92 C ATOM 1167 O ASP A 74 -4.800 -1.531 0.470 1.00 56.92 O ATOM 1168 CB ASP A 74 -5.906 -4.642 0.319 1.00 56.92 C ATOM 1169 CG ASP A 74 -6.354 -5.682 -0.692 1.00 56.92 C ATOM 1170 OD1 ASP A 74 -5.869 -5.642 -1.845 1.00 56.92 O ATOM 1171 OD2 ASP A 74 -7.191 -6.537 -0.334 1.00 56.92 O ATOM 0 H ASP A 74 -3.634 -5.641 0.139 1.00 56.92 H new ATOM 0 HA ASP A 74 -4.898 -3.463 -1.156 1.00 56.92 H new ATOM 0 HB2 ASP A 74 -5.667 -5.136 1.261 1.00 56.92 H new ATOM 0 HB3 ASP A 74 -6.729 -3.956 0.518 1.00 56.92 H new ATOM 1176 N LEU A 75 -3.768 -2.931 1.893 1.00 72.53 N ATOM 1177 CA LEU A 75 -3.434 -1.879 2.842 1.00 72.53 C ATOM 1178 C LEU A 75 -2.343 -1.008 2.252 1.00 72.53 C ATOM 1179 O LEU A 75 -2.433 0.219 2.261 1.00 72.53 O ATOM 1180 CB LEU A 75 -2.945 -2.477 4.157 1.00 72.53 C ATOM 1181 CG LEU A 75 -4.003 -3.187 5.003 1.00 72.53 C ATOM 1182 CD1 LEU A 75 -4.764 -4.218 4.180 1.00 72.53 C ATOM 1183 CD2 LEU A 75 -3.322 -3.853 6.182 1.00 72.53 C ATOM 0 H LEU A 75 -3.453 -3.862 2.164 1.00 72.53 H new ATOM 0 HA LEU A 75 -4.326 -1.285 3.039 1.00 72.53 H new ATOM 0 HB2 LEU A 75 -2.148 -3.187 3.937 1.00 72.53 H new ATOM 0 HB3 LEU A 75 -2.505 -1.679 4.755 1.00 72.53 H new ATOM 0 HG LEU A 75 -4.725 -2.452 5.359 1.00 72.53 H new ATOM 0 HD11 LEU A 75 -5.509 -4.707 4.808 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -5.261 -3.723 3.346 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -4.067 -4.964 3.797 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -4.067 -4.363 6.792 1.00 72.53 H new ATOM 0 HD22 LEU A 75 -2.593 -4.578 5.819 1.00 72.53 H new ATOM 0 HD23 LEU A 75 -2.815 -3.098 6.783 1.00 72.53 H new ATOM 1195 N LEU A 76 -1.317 -1.666 1.707 1.00 57.08 N ATOM 1196 CA LEU A 76 -0.201 -0.974 1.072 1.00 57.08 C ATOM 1197 C LEU A 76 -0.717 -0.032 -0.004 1.00 57.08 C ATOM 1198 O LEU A 76 -0.269 1.104 -0.124 1.00 57.08 O ATOM 1199 CB LEU A 76 0.758 -1.985 0.448 1.00 57.08 C ATOM 1200 CG LEU A 76 1.986 -1.372 -0.243 1.00 57.08 C ATOM 1201 CD1 LEU A 76 3.280 -1.890 0.370 1.00 57.08 C ATOM 1202 CD2 LEU A 76 1.953 -1.642 -1.743 1.00 57.08 C ATOM 0 H LEU A 76 -1.239 -2.683 1.695 1.00 57.08 H new ATOM 0 HA LEU A 76 0.330 -0.398 1.830 1.00 57.08 H new ATOM 0 HB2 LEU A 76 1.100 -2.667 1.226 1.00 57.08 H new ATOM 0 HB3 LEU A 76 0.210 -2.582 -0.281 1.00 57.08 H new ATOM 0 HG LEU A 76 1.952 -0.294 -0.088 1.00 57.08 H new ATOM 0 HD11 LEU A 76 4.131 -1.438 -0.140 1.00 57.08 H new ATOM 0 HD12 LEU A 76 3.311 -1.630 1.428 1.00 57.08 H new ATOM 0 HD13 LEU A 76 3.326 -2.974 0.262 1.00 57.08 H new ATOM 0 HD21 LEU A 76 2.832 -1.199 -2.212 1.00 57.08 H new ATOM 0 HD22 LEU A 76 1.951 -2.718 -1.919 1.00 57.08 H new ATOM 0 HD23 LEU A 76 1.053 -1.203 -2.172 1.00 57.08 H new ATOM 1214 N THR A 77 -1.685 -0.524 -0.770 1.00 38.46 N ATOM 1215 CA THR A 77 -2.301 0.246 -1.831 1.00 38.46 C ATOM 1216 C THR A 77 -2.874 1.552 -1.295 1.00 38.46 C ATOM 1217 O THR A 77 -2.735 2.594 -1.923 1.00 38.46 O ATOM 1218 CB THR A 77 -3.421 -0.575 -2.494 1.00 38.46 C ATOM 1219 OG1 THR A 77 -2.870 -1.723 -3.147 1.00 38.46 O ATOM 1220 CG2 THR A 77 -4.213 0.252 -3.493 1.00 38.46 C ATOM 0 H THR A 77 -2.060 -1.467 -0.669 1.00 38.46 H new ATOM 0 HA THR A 77 -1.534 0.481 -2.569 1.00 38.46 H new ATOM 0 HB THR A 77 -4.104 -0.893 -1.706 1.00 38.46 H new ATOM 0 HG1 THR A 77 -2.929 -2.498 -2.551 1.00 38.46 H new ATOM 0 HG21 THR A 77 -4.994 -0.365 -3.938 1.00 38.46 H new ATOM 0 HG22 THR A 77 -4.668 1.101 -2.983 1.00 38.46 H new ATOM 0 HG23 THR A 77 -3.546 0.614 -4.275 1.00 38.46 H new ATOM 1228 N MET A 78 -3.528 1.490 -0.142 1.00 70.15 N ATOM 1229 CA MET A 78 -4.112 2.685 0.442 1.00 70.15 C ATOM 1230 C MET A 78 -3.016 3.666 0.816 1.00 70.15 C ATOM 1231 O MET A 78 -3.142 4.868 0.584 1.00 70.15 O ATOM 1232 CB MET A 78 -4.975 2.328 1.653 1.00 70.15 C ATOM 1233 CG MET A 78 -6.179 1.478 1.280 1.00 70.15 C ATOM 1234 SD MET A 78 -7.637 1.859 2.268 1.00 70.15 S ATOM 1235 CE MET A 78 -8.942 1.325 1.163 1.00 70.15 C ATOM 0 H MET A 78 -3.665 0.636 0.399 1.00 70.15 H new ATOM 0 HA MET A 78 -4.760 3.159 -0.295 1.00 70.15 H new ATOM 0 HB2 MET A 78 -4.368 1.792 2.382 1.00 70.15 H new ATOM 0 HB3 MET A 78 -5.316 3.244 2.135 1.00 70.15 H new ATOM 0 HG2 MET A 78 -6.411 1.628 0.226 1.00 70.15 H new ATOM 0 HG3 MET A 78 -5.927 0.425 1.404 1.00 70.15 H new ATOM 0 HE1 MET A 78 -9.910 1.496 1.634 1.00 70.15 H new ATOM 0 HE2 MET A 78 -8.885 1.891 0.233 1.00 70.15 H new ATOM 0 HE3 MET A 78 -8.826 0.263 0.949 1.00 70.15 H new ATOM 1245 N VAL A 79 -1.925 3.140 1.358 1.00 44.32 N ATOM 1246 CA VAL A 79 -0.789 3.963 1.732 1.00 44.32 C ATOM 1247 C VAL A 79 -0.122 4.505 0.477 1.00 44.32 C ATOM 1248 O VAL A 79 0.230 5.683 0.395 1.00 44.32 O ATOM 1249 CB VAL A 79 0.237 3.149 2.539 1.00 44.32 C ATOM 1250 CG1 VAL A 79 1.351 4.042 3.053 1.00 44.32 C ATOM 1251 CG2 VAL A 79 -0.445 2.411 3.679 1.00 44.32 C ATOM 0 H VAL A 79 -1.806 2.145 1.547 1.00 44.32 H new ATOM 0 HA VAL A 79 -1.148 4.785 2.352 1.00 44.32 H new ATOM 0 HB VAL A 79 0.685 2.408 1.877 1.00 44.32 H new ATOM 0 HG11 VAL A 79 2.064 3.444 3.620 1.00 44.32 H new ATOM 0 HG12 VAL A 79 1.860 4.511 2.211 1.00 44.32 H new ATOM 0 HG13 VAL A 79 0.930 4.814 3.698 1.00 44.32 H new ATOM 0 HG21 VAL A 79 0.297 1.841 4.239 1.00 44.32 H new ATOM 0 HG22 VAL A 79 -0.926 3.130 4.342 1.00 44.32 H new ATOM 0 HG23 VAL A 79 -1.196 1.732 3.275 1.00 44.32 H new ATOM 1261 N VAL A 80 0.029 3.626 -0.505 1.00 90.77 N ATOM 1262 CA VAL A 80 0.631 3.976 -1.783 1.00 90.77 C ATOM 1263 C VAL A 80 -0.240 4.983 -2.534 1.00 90.77 C ATOM 1264 O VAL A 80 0.239 6.019 -2.989 1.00 90.77 O ATOM 1265 CB VAL A 80 0.809 2.709 -2.655 1.00 90.77 C ATOM 1266 CG1 VAL A 80 1.379 3.064 -4.024 1.00 90.77 C ATOM 1267 CG2 VAL A 80 1.685 1.679 -1.944 1.00 90.77 C ATOM 0 H VAL A 80 -0.263 2.651 -0.437 1.00 90.77 H new ATOM 0 HA VAL A 80 1.605 4.424 -1.585 1.00 90.77 H new ATOM 0 HB VAL A 80 -0.174 2.264 -2.809 1.00 90.77 H new ATOM 0 HG11 VAL A 80 1.494 2.156 -4.617 1.00 90.77 H new ATOM 0 HG12 VAL A 80 0.700 3.747 -4.535 1.00 90.77 H new ATOM 0 HG13 VAL A 80 2.351 3.543 -3.901 1.00 90.77 H new ATOM 0 HG21 VAL A 80 1.796 0.798 -2.576 1.00 90.77 H new ATOM 0 HG22 VAL A 80 2.667 2.110 -1.747 1.00 90.77 H new ATOM 0 HG23 VAL A 80 1.218 1.393 -1.001 1.00 90.77 H new ATOM 1277 N ASP A 81 -1.518 4.664 -2.663 1.00 37.97 N ATOM 1278 CA ASP A 81 -2.454 5.532 -3.358 1.00 37.97 C ATOM 1279 C ASP A 81 -2.556 6.870 -2.646 1.00 37.97 C ATOM 1280 O ASP A 81 -2.637 7.919 -3.284 1.00 37.97 O ATOM 1281 CB ASP A 81 -3.832 4.871 -3.459 1.00 37.97 C ATOM 1282 CG ASP A 81 -3.835 3.663 -4.379 1.00 37.97 C ATOM 1283 OD1 ASP A 81 -2.835 3.459 -5.099 1.00 37.97 O ATOM 1284 OD2 ASP A 81 -4.840 2.921 -4.379 1.00 37.97 O ATOM 0 H ASP A 81 -1.931 3.808 -2.294 1.00 37.97 H new ATOM 0 HA ASP A 81 -2.084 5.702 -4.369 1.00 37.97 H new ATOM 0 HB2 ASP A 81 -4.158 4.566 -2.465 1.00 37.97 H new ATOM 0 HB3 ASP A 81 -4.555 5.601 -3.822 1.00 37.97 H new ATOM 1289 N TYR A 82 -2.532 6.832 -1.317 1.00130.70 N ATOM 1290 CA TYR A 82 -2.600 8.048 -0.533 1.00130.70 C ATOM 1291 C TYR A 82 -1.391 8.921 -0.817 1.00130.70 C ATOM 1292 O TYR A 82 -1.506 10.139 -0.948 1.00130.70 O ATOM 1293 CB TYR A 82 -2.656 7.704 0.958 1.00130.70 C ATOM 1294 CG TYR A 82 -2.247 8.835 1.879 1.00130.70 C ATOM 1295 CD1 TYR A 82 -0.902 9.130 2.077 1.00130.70 C ATOM 1296 CD2 TYR A 82 -3.185 9.600 2.544 1.00130.70 C ATOM 1297 CE1 TYR A 82 -0.509 10.155 2.905 1.00130.70 C ATOM 1298 CE2 TYR A 82 -2.795 10.625 3.374 1.00130.70 C ATOM 1299 CZ TYR A 82 -1.459 10.901 3.552 1.00130.70 C ATOM 1300 OH TYR A 82 -1.074 11.930 4.376 1.00130.70 O ATOM 0 H TYR A 82 -2.466 5.975 -0.768 1.00130.70 H new ATOM 0 HA TYR A 82 -3.502 8.595 -0.807 1.00130.70 H new ATOM 0 HB2 TYR A 82 -3.671 7.397 1.209 1.00130.70 H new ATOM 0 HB3 TYR A 82 -2.008 6.848 1.145 1.00130.70 H new ATOM 0 HD1 TYR A 82 -0.151 8.542 1.570 1.00130.70 H new ATOM 0 HD2 TYR A 82 -4.236 9.391 2.411 1.00130.70 H new ATOM 0 HE1 TYR A 82 0.540 10.370 3.044 1.00130.70 H new ATOM 0 HE2 TYR A 82 -3.540 11.215 3.888 1.00130.70 H new ATOM 0 HH TYR A 82 -1.846 12.504 4.565 1.00130.70 H new ATOM 1310 N ARG A 83 -0.223 8.285 -0.888 1.00265.02 N ATOM 1311 CA ARG A 83 1.020 9.002 -1.132 1.00265.02 C ATOM 1312 C ARG A 83 0.853 9.936 -2.313 1.00265.02 C ATOM 1313 O ARG A 83 1.135 11.113 -2.208 1.00265.02 O ATOM 1314 CB ARG A 83 2.160 7.994 -1.376 1.00265.02 C ATOM 1315 CG ARG A 83 3.416 8.586 -2.011 1.00265.02 C ATOM 1316 CD ARG A 83 3.631 8.033 -3.414 1.00265.02 C ATOM 1317 NE ARG A 83 5.024 8.143 -3.844 1.00265.02 N ATOM 1318 CZ ARG A 83 5.626 9.297 -4.139 1.00265.02 C ATOM 1319 NH1 ARG A 83 4.971 10.447 -4.038 1.00265.02 N ATOM 1320 NH2 ARG A 83 6.890 9.299 -4.539 1.00265.02 N ATOM 0 H ARG A 83 -0.115 7.277 -0.780 1.00265.02 H new ATOM 0 HA ARG A 83 1.274 9.603 -0.259 1.00265.02 H new ATOM 0 HB2 ARG A 83 2.432 7.538 -0.424 1.00265.02 H new ATOM 0 HB3 ARG A 83 1.788 7.195 -2.018 1.00265.02 H new ATOM 0 HG2 ARG A 83 3.329 9.672 -2.054 1.00265.02 H new ATOM 0 HG3 ARG A 83 4.283 8.360 -1.390 1.00265.02 H new ATOM 0 HD2 ARG A 83 3.326 6.987 -3.441 1.00265.02 H new ATOM 0 HD3 ARG A 83 2.993 8.570 -4.116 1.00265.02 H new ATOM 0 HE ARG A 83 5.569 7.285 -3.923 1.00265.02 H new ATOM 0 HH11 ARG A 83 3.998 10.455 -3.732 1.00265.02 H new ATOM 0 HH12 ARG A 83 5.441 11.323 -4.266 1.00265.02 H new ATOM 0 HH21 ARG A 83 7.400 8.420 -4.621 1.00265.02 H new ATOM 0 HH22 ARG A 83 7.352 10.180 -4.765 1.00265.02 H new ATOM 1334 N THR A 84 0.364 9.403 -3.411 1.00259.68 N ATOM 1335 CA THR A 84 0.140 10.190 -4.596 1.00259.68 C ATOM 1336 C THR A 84 -1.082 11.107 -4.478 1.00259.68 C ATOM 1337 O THR A 84 -1.065 12.236 -4.970 1.00259.68 O ATOM 1338 CB THR A 84 -0.047 9.278 -5.810 1.00259.68 C ATOM 1339 OG1 THR A 84 1.089 8.416 -5.967 1.00259.68 O ATOM 1340 CG2 THR A 84 -0.242 10.110 -7.057 1.00259.68 C ATOM 0 H THR A 84 0.113 8.419 -3.504 1.00259.68 H new ATOM 0 HA THR A 84 1.022 10.818 -4.719 1.00259.68 H new ATOM 0 HB THR A 84 -0.932 8.663 -5.651 1.00259.68 H new ATOM 0 HG1 THR A 84 0.955 7.837 -6.746 1.00259.68 H new ATOM 0 HG21 THR A 84 -0.374 9.452 -7.916 1.00259.68 H new ATOM 0 HG22 THR A 84 -1.126 10.738 -6.941 1.00259.68 H new ATOM 0 HG23 THR A 84 0.633 10.741 -7.214 1.00259.68 H new ATOM 1348 N ARG A 85 -2.155 10.602 -3.885 1.00220.68 N ATOM 1349 CA ARG A 85 -3.386 11.375 -3.784 1.00220.68 C ATOM 1350 C ARG A 85 -3.181 12.640 -2.954 1.00220.68 C ATOM 1351 O ARG A 85 -3.576 13.734 -3.367 1.00220.68 O ATOM 1352 CB ARG A 85 -4.530 10.490 -3.231 1.00220.68 C ATOM 1353 CG ARG A 85 -4.715 10.510 -1.716 1.00220.68 C ATOM 1354 CD ARG A 85 -5.507 11.729 -1.275 1.00220.68 C ATOM 1355 NE ARG A 85 -6.178 11.522 0.007 1.00220.68 N ATOM 1356 CZ ARG A 85 -7.136 10.618 0.214 1.00220.68 C ATOM 1357 NH1 ARG A 85 -7.570 9.851 -0.779 1.00220.68 N ATOM 1358 NH2 ARG A 85 -7.670 10.489 1.422 1.00220.68 N ATOM 0 H ARG A 85 -2.199 9.671 -3.471 1.00220.68 H new ATOM 0 HA ARG A 85 -3.675 11.703 -4.782 1.00220.68 H new ATOM 0 HB2 ARG A 85 -5.464 10.805 -3.696 1.00220.68 H new ATOM 0 HB3 ARG A 85 -4.350 9.461 -3.542 1.00220.68 H new ATOM 0 HG2 ARG A 85 -5.230 9.604 -1.398 1.00220.68 H new ATOM 0 HG3 ARG A 85 -3.740 10.510 -1.228 1.00220.68 H new ATOM 0 HD2 ARG A 85 -4.838 12.586 -1.198 1.00220.68 H new ATOM 0 HD3 ARG A 85 -6.249 11.972 -2.036 1.00220.68 H new ATOM 0 HE ARG A 85 -5.895 12.107 0.794 1.00220.68 H new ATOM 0 HH11 ARG A 85 -7.170 9.950 -1.712 1.00220.68 H new ATOM 0 HH12 ARG A 85 -8.303 9.163 -0.609 1.00220.68 H new ATOM 0 HH21 ARG A 85 -7.347 11.080 2.188 1.00220.68 H new ATOM 0 HH22 ARG A 85 -8.403 9.799 1.584 1.00220.68 H new ATOM 1372 N VAL A 86 -2.537 12.499 -1.806 1.00 63.58 N ATOM 1373 CA VAL A 86 -2.263 13.648 -0.960 1.00 63.58 C ATOM 1374 C VAL A 86 -1.129 14.464 -1.579 1.00 63.58 C ATOM 1375 O VAL A 86 -1.073 15.681 -1.433 1.00 63.58 O ATOM 1376 CB VAL A 86 -1.937 13.229 0.493 1.00 63.58 C ATOM 1377 CG1 VAL A 86 -1.540 14.436 1.338 1.00 63.58 C ATOM 1378 CG2 VAL A 86 -3.146 12.530 1.103 1.00 63.58 C ATOM 0 H VAL A 86 -2.197 11.609 -1.442 1.00 63.58 H new ATOM 0 HA VAL A 86 -3.159 14.266 -0.904 1.00 63.58 H new ATOM 0 HB VAL A 86 -1.090 12.543 0.476 1.00 63.58 H new ATOM 0 HG11 VAL A 86 -1.317 14.111 2.354 1.00 63.58 H new ATOM 0 HG12 VAL A 86 -0.658 14.908 0.906 1.00 63.58 H new ATOM 0 HG13 VAL A 86 -2.362 15.152 1.358 1.00 63.58 H new ATOM 0 HG21 VAL A 86 -2.917 12.234 2.127 1.00 63.58 H new ATOM 0 HG22 VAL A 86 -3.998 13.210 1.103 1.00 63.58 H new ATOM 0 HG23 VAL A 86 -3.389 11.645 0.516 1.00 63.58 H new ATOM 1583 N LEU A 99 18.606 20.077 -1.573 1.00281.45 N ATOM 1584 CA LEU A 99 19.505 21.052 -0.993 1.00281.45 C ATOM 1585 C LEU A 99 19.188 21.273 0.480 1.00281.45 C ATOM 1586 O LEU A 99 18.058 21.598 0.839 1.00281.45 O ATOM 1587 CB LEU A 99 19.372 22.364 -1.759 1.00281.45 C ATOM 1588 CG LEU A 99 19.437 22.230 -3.284 1.00281.45 C ATOM 1589 CD1 LEU A 99 19.454 23.605 -3.935 1.00281.45 C ATOM 1590 CD2 LEU A 99 20.653 21.408 -3.711 1.00281.45 C ATOM 0 HA LEU A 99 20.528 20.682 -1.065 1.00281.45 H new ATOM 0 HB2 LEU A 99 18.424 22.831 -1.490 1.00281.45 H new ATOM 0 HB3 LEU A 99 20.163 23.039 -1.434 1.00281.45 H new ATOM 0 HG LEU A 99 18.545 21.701 -3.620 1.00281.45 H new ATOM 0 HD11 LEU A 99 19.500 23.494 -5.018 1.00281.45 H new ATOM 0 HD12 LEU A 99 18.548 24.147 -3.664 1.00281.45 H new ATOM 0 HD13 LEU A 99 20.326 24.160 -3.590 1.00281.45 H new ATOM 0 HD21 LEU A 99 20.675 21.328 -4.798 1.00281.45 H new ATOM 0 HD22 LEU A 99 21.563 21.898 -3.365 1.00281.45 H new ATOM 0 HD23 LEU A 99 20.589 20.411 -3.275 1.00281.45 H new ATOM 1602 N THR A 100 20.189 21.093 1.335 1.00235.89 N ATOM 1603 CA THR A 100 20.000 21.279 2.765 1.00235.89 C ATOM 1604 C THR A 100 20.444 22.673 3.207 1.00235.89 C ATOM 1605 O THR A 100 19.637 23.602 3.241 1.00235.89 O ATOM 1606 CB THR A 100 20.736 20.195 3.575 1.00235.89 C ATOM 1607 OG1 THR A 100 22.148 20.277 3.347 1.00235.89 O ATOM 1608 CG2 THR A 100 20.235 18.816 3.186 1.00235.89 C ATOM 0 H THR A 100 21.133 20.820 1.063 1.00235.89 H new ATOM 0 HA THR A 100 18.933 21.183 2.965 1.00235.89 H new ATOM 0 HB THR A 100 20.536 20.361 4.634 1.00235.89 H new ATOM 0 HG1 THR A 100 22.569 19.426 3.592 1.00235.89 H new ATOM 0 HG21 THR A 100 20.764 18.060 3.766 1.00235.89 H new ATOM 0 HG22 THR A 100 19.166 18.747 3.388 1.00235.89 H new ATOM 0 HG23 THR A 100 20.415 18.650 2.124 1.00235.89 H new ATOM 1616 N ARG A 101 21.725 22.822 3.540 1.00326.00 N ATOM 1617 CA ARG A 101 22.250 24.108 3.969 1.00326.00 C ATOM 1618 C ARG A 101 22.828 24.872 2.783 1.00326.00 C ATOM 1619 O ARG A 101 24.024 24.790 2.501 1.00326.00 O ATOM 1620 CB ARG A 101 23.308 23.910 5.048 1.00326.00 C ATOM 1621 CG ARG A 101 22.852 22.976 6.155 1.00326.00 C ATOM 1622 CD ARG A 101 23.160 21.525 5.822 1.00326.00 C ATOM 1623 NE ARG A 101 23.795 20.831 6.941 1.00326.00 N ATOM 1624 CZ ARG A 101 24.525 19.723 6.817 1.00326.00 C ATOM 1625 NH1 ARG A 101 24.691 19.149 5.632 1.00326.00 N ATOM 1626 NH2 ARG A 101 25.084 19.181 7.889 1.00326.00 N ATOM 0 H ARG A 101 22.413 22.069 3.520 1.00326.00 H new ATOM 0 HA ARG A 101 21.434 24.697 4.387 1.00326.00 H new ATOM 0 HB2 ARG A 101 24.214 23.511 4.593 1.00326.00 H new ATOM 0 HB3 ARG A 101 23.567 24.877 5.479 1.00326.00 H new ATOM 0 HG2 ARG A 101 23.345 23.249 7.088 1.00326.00 H new ATOM 0 HG3 ARG A 101 21.780 23.094 6.314 1.00326.00 H new ATOM 0 HD2 ARG A 101 22.237 21.011 5.553 1.00326.00 H new ATOM 0 HD3 ARG A 101 23.814 21.484 4.951 1.00326.00 H new ATOM 0 HE ARG A 101 23.671 21.219 7.876 1.00326.00 H new ATOM 0 HH11 ARG A 101 24.258 19.556 4.803 1.00326.00 H new ATOM 0 HH12 ARG A 101 25.252 18.301 5.550 1.00326.00 H new ATOM 0 HH21 ARG A 101 24.955 19.612 8.805 1.00326.00 H new ATOM 0 HH22 ARG A 101 25.644 18.333 7.799 1.00326.00 H new ATOM 1640 N ILE A 102 21.968 25.604 2.089 1.00164.55 N ATOM 1641 CA ILE A 102 22.384 26.376 0.928 1.00164.55 C ATOM 1642 C ILE A 102 21.832 27.798 1.007 1.00164.55 C ATOM 1643 O ILE A 102 20.979 28.192 0.212 1.00164.55 O ATOM 1644 CB ILE A 102 21.929 25.705 -0.388 1.00164.55 C ATOM 1645 CG1 ILE A 102 22.460 24.272 -0.459 1.00164.55 C ATOM 1646 CG2 ILE A 102 22.403 26.495 -1.603 1.00164.55 C ATOM 1647 CD1 ILE A 102 21.753 23.313 0.464 1.00164.55 C ATOM 0 H ILE A 102 20.975 25.679 2.311 1.00164.55 H new ATOM 0 HA ILE A 102 23.473 26.415 0.930 1.00164.55 H new ATOM 0 HB ILE A 102 20.839 25.687 -0.397 1.00164.55 H new ATOM 0 HG12 ILE A 102 22.367 23.911 -1.483 1.00164.55 H new ATOM 0 HG13 ILE A 102 23.523 24.276 -0.218 1.00164.55 H new ATOM 0 HG21 ILE A 102 22.068 25.998 -2.513 1.00164.55 H new ATOM 0 HG22 ILE A 102 21.989 27.503 -1.566 1.00164.55 H new ATOM 0 HG23 ILE A 102 23.492 26.550 -1.599 1.00164.55 H new ATOM 0 HD11 ILE A 102 22.186 22.318 0.356 1.00164.55 H new ATOM 0 HD12 ILE A 102 21.868 23.649 1.495 1.00164.55 H new ATOM 0 HD13 ILE A 102 20.694 23.277 0.210 1.00164.55 H new ATOM 1659 N PRO A 103 22.329 28.599 1.968 1.00 72.69 N ATOM 1660 CA PRO A 103 21.896 29.988 2.140 1.00 72.69 C ATOM 1661 C PRO A 103 22.100 30.808 0.869 1.00 72.69 C ATOM 1662 O PRO A 103 21.444 31.829 0.665 1.00 72.69 O ATOM 1663 CB PRO A 103 22.789 30.510 3.269 1.00 72.69 C ATOM 1664 CG PRO A 103 23.928 29.554 3.337 1.00 72.69 C ATOM 1665 CD PRO A 103 23.359 28.225 2.949 1.00 72.69 C ATOM 0 HA PRO A 103 20.832 30.061 2.364 1.00 72.69 H new ATOM 0 HB2 PRO A 103 23.136 31.522 3.061 1.00 72.69 H new ATOM 0 HB3 PRO A 103 22.248 30.546 4.215 1.00 72.69 H new ATOM 0 HG2 PRO A 103 24.730 29.850 2.661 1.00 72.69 H new ATOM 0 HG3 PRO A 103 24.353 29.521 4.340 1.00 72.69 H new ATOM 0 HD2 PRO A 103 24.115 27.570 2.515 1.00 72.69 H new ATOM 0 HD3 PRO A 103 22.934 27.699 3.804 1.00 72.69 H new ATOM 1673 N SER A 104 23.006 30.344 0.005 1.00159.85 N ATOM 1674 CA SER A 104 23.280 31.026 -1.254 1.00159.85 C ATOM 1675 C SER A 104 22.189 30.740 -2.294 1.00159.85 C ATOM 1676 O SER A 104 22.202 31.306 -3.388 1.00159.85 O ATOM 1677 CB SER A 104 24.642 30.592 -1.800 1.00159.85 C ATOM 1678 OG SER A 104 25.686 30.939 -0.905 1.00159.85 O ATOM 0 H SER A 104 23.559 29.501 0.157 1.00159.85 H new ATOM 0 HA SER A 104 23.290 32.098 -1.058 1.00159.85 H new ATOM 0 HB2 SER A 104 24.644 29.515 -1.966 1.00159.85 H new ATOM 0 HB3 SER A 104 24.816 31.064 -2.767 1.00159.85 H new ATOM 0 HG SER A 104 26.545 30.649 -1.277 1.00159.85 H new ATOM 1684 N ALA A 105 21.241 29.866 -1.947 1.00293.58 N ATOM 1685 CA ALA A 105 20.147 29.516 -2.839 1.00293.58 C ATOM 1686 C ALA A 105 18.860 29.372 -2.044 1.00293.58 C ATOM 1687 O ALA A 105 17.939 30.180 -2.169 1.00293.58 O ATOM 1688 CB ALA A 105 20.463 28.221 -3.571 1.00293.58 C ATOM 0 H ALA A 105 21.215 29.388 -1.046 1.00293.58 H new ATOM 0 HA ALA A 105 20.020 30.309 -3.576 1.00293.58 H new ATOM 0 HB1 ALA A 105 19.637 27.968 -4.236 1.00293.58 H new ATOM 0 HB2 ALA A 105 21.374 28.347 -4.155 1.00293.58 H new ATOM 0 HB3 ALA A 105 20.604 27.419 -2.847 1.00293.58 H new ATOM 1694 N LYS A 106 18.819 28.338 -1.213 1.00328.40 N ATOM 1695 CA LYS A 106 17.667 28.075 -0.370 1.00328.40 C ATOM 1696 C LYS A 106 17.774 28.879 0.918 1.00328.40 C ATOM 1697 O LYS A 106 18.861 29.003 1.487 1.00328.40 O ATOM 1698 CB LYS A 106 17.583 26.588 -0.046 1.00328.40 C ATOM 1699 CG LYS A 106 17.720 25.692 -1.269 1.00328.40 C ATOM 1700 CD LYS A 106 16.629 24.628 -1.328 1.00328.40 C ATOM 1701 CE LYS A 106 16.536 23.835 -0.033 1.00328.40 C ATOM 1702 NZ LYS A 106 15.885 22.511 -0.234 1.00328.40 N ATOM 0 H LYS A 106 19.578 27.665 -1.107 1.00328.40 H new ATOM 0 HA LYS A 106 16.764 28.372 -0.904 1.00328.40 H new ATOM 0 HB2 LYS A 106 18.366 26.335 0.669 1.00328.40 H new ATOM 0 HB3 LYS A 106 16.629 26.383 0.440 1.00328.40 H new ATOM 0 HG2 LYS A 106 17.679 26.302 -2.171 1.00328.40 H new ATOM 0 HG3 LYS A 106 18.697 25.208 -1.255 1.00328.40 H new ATOM 0 HD2 LYS A 106 15.670 25.103 -1.532 1.00328.40 H new ATOM 0 HD3 LYS A 106 16.830 23.948 -2.156 1.00328.40 H new ATOM 0 HE2 LYS A 106 17.536 23.689 0.375 1.00328.40 H new ATOM 0 HE3 LYS A 106 15.972 24.408 0.703 1.00328.40 H new ATOM 0 HZ1 LYS A 106 15.059 22.432 0.393 1.00328.40 H new ATOM 0 HZ2 LYS A 106 15.579 22.421 -1.224 1.00328.40 H new ATOM 0 HZ3 LYS A 106 16.562 21.754 -0.011 1.00328.40 H new ATOM 1716 N LYS A 107 16.659 29.433 1.376 1.00281.61 N ATOM 1717 CA LYS A 107 16.670 30.227 2.595 1.00281.61 C ATOM 1718 C LYS A 107 16.258 29.413 3.816 1.00281.61 C ATOM 1719 O LYS A 107 15.298 28.643 3.787 1.00281.61 O ATOM 1720 CB LYS A 107 15.774 31.451 2.453 1.00281.61 C ATOM 1721 CG LYS A 107 16.187 32.359 1.310 1.00281.61 C ATOM 1722 CD LYS A 107 17.420 33.172 1.667 1.00281.61 C ATOM 1723 CE LYS A 107 17.070 34.350 2.563 1.00281.61 C ATOM 1724 NZ LYS A 107 17.978 35.508 2.337 1.00281.61 N ATOM 0 H LYS A 107 15.747 29.348 0.928 1.00281.61 H new ATOM 0 HA LYS A 107 17.698 30.555 2.749 1.00281.61 H new ATOM 0 HB2 LYS A 107 14.745 31.125 2.297 1.00281.61 H new ATOM 0 HB3 LYS A 107 15.792 32.017 3.384 1.00281.61 H new ATOM 0 HG2 LYS A 107 16.389 31.760 0.422 1.00281.61 H new ATOM 0 HG3 LYS A 107 15.365 33.031 1.062 1.00281.61 H new ATOM 0 HD2 LYS A 107 18.145 32.533 2.171 1.00281.61 H new ATOM 0 HD3 LYS A 107 17.894 33.535 0.755 1.00281.61 H new ATOM 0 HE2 LYS A 107 16.040 34.654 2.377 1.00281.61 H new ATOM 0 HE3 LYS A 107 17.127 34.042 3.607 1.00281.61 H new ATOM 0 HZ1 LYS A 107 17.706 36.290 2.966 1.00281.61 H new ATOM 0 HZ2 LYS A 107 18.958 35.225 2.539 1.00281.61 H new ATOM 0 HZ3 LYS A 107 17.904 35.819 1.347 1.00281.61 H new ATOM 1738 N TYR A 108 17.008 29.615 4.888 1.00309.62 N ATOM 1739 CA TYR A 108 16.784 28.946 6.163 1.00309.62 C ATOM 1740 C TYR A 108 15.354 29.111 6.660 1.00309.62 C ATOM 1741 O TYR A 108 14.770 30.190 6.569 1.00309.62 O ATOM 1742 CB TYR A 108 17.731 29.556 7.196 1.00309.62 C ATOM 1743 CG TYR A 108 17.413 31.014 7.471 1.00309.62 C ATOM 1744 CD1 TYR A 108 17.887 32.017 6.635 1.00309.62 C ATOM 1745 CD2 TYR A 108 16.612 31.379 8.546 1.00309.62 C ATOM 1746 CE1 TYR A 108 17.580 33.340 6.865 1.00309.62 C ATOM 1747 CE2 TYR A 108 16.299 32.701 8.785 1.00309.62 C ATOM 1748 CZ TYR A 108 16.784 33.679 7.942 1.00309.62 C ATOM 1749 OH TYR A 108 16.472 35.000 8.173 1.00309.62 O ATOM 0 H TYR A 108 17.801 30.257 4.899 1.00309.62 H new ATOM 0 HA TYR A 108 16.967 27.881 6.023 1.00309.62 H new ATOM 0 HB2 TYR A 108 17.666 28.990 8.125 1.00309.62 H new ATOM 0 HB3 TYR A 108 18.758 29.470 6.841 1.00309.62 H new ATOM 0 HD1 TYR A 108 18.507 31.755 5.790 1.00309.62 H new ATOM 0 HD2 TYR A 108 16.228 30.615 9.206 1.00309.62 H new ATOM 0 HE1 TYR A 108 17.959 34.108 6.207 1.00309.62 H new ATOM 0 HE2 TYR A 108 15.678 32.969 9.627 1.00309.62 H new ATOM 0 HH TYR A 108 16.450 35.485 7.322 1.00309.62 H new ATOM 1759 N LYS A 109 14.826 28.047 7.236 1.00276.51 N ATOM 1760 CA LYS A 109 13.489 28.084 7.814 1.00276.51 C ATOM 1761 C LYS A 109 13.555 28.131 9.333 1.00276.51 C ATOM 1762 O LYS A 109 12.574 27.825 10.009 1.00276.51 O ATOM 1763 CB LYS A 109 12.635 26.901 7.360 1.00276.51 C ATOM 1764 CG LYS A 109 13.343 25.557 7.467 1.00276.51 C ATOM 1765 CD LYS A 109 12.786 24.707 8.604 1.00276.51 C ATOM 1766 CE LYS A 109 11.284 24.482 8.468 1.00276.51 C ATOM 1767 NZ LYS A 109 10.956 23.045 8.263 1.00276.51 N ATOM 0 H LYS A 109 15.299 27.147 7.318 1.00276.51 H new ATOM 0 HA LYS A 109 13.012 28.995 7.453 1.00276.51 H new ATOM 0 HB2 LYS A 109 11.725 26.871 7.959 1.00276.51 H new ATOM 0 HB3 LYS A 109 12.331 27.060 6.325 1.00276.51 H new ATOM 0 HG2 LYS A 109 13.239 25.017 6.526 1.00276.51 H new ATOM 0 HG3 LYS A 109 14.409 25.720 7.625 1.00276.51 H new ATOM 0 HD2 LYS A 109 13.297 23.744 8.620 1.00276.51 H new ATOM 0 HD3 LYS A 109 12.995 25.194 9.556 1.00276.51 H new ATOM 0 HE2 LYS A 109 10.780 24.846 9.363 1.00276.51 H new ATOM 0 HE3 LYS A 109 10.904 25.065 7.629 1.00276.51 H new ATOM 0 HZ1 LYS A 109 9.926 22.933 8.175 1.00276.51 H new ATOM 0 HZ2 LYS A 109 11.417 22.704 7.395 1.00276.51 H new ATOM 0 HZ3 LYS A 109 11.296 22.492 9.075 1.00276.51 H new ATOM 1781 N ASP A 110 14.703 28.548 9.875 1.00203.92 N ATOM 1782 CA ASP A 110 14.859 28.669 11.324 1.00203.92 C ATOM 1783 C ASP A 110 13.749 29.562 11.866 1.00203.92 C ATOM 1784 O ASP A 110 13.217 29.338 12.955 1.00203.92 O ATOM 1785 CB ASP A 110 16.229 29.259 11.675 1.00203.92 C ATOM 1786 CG ASP A 110 17.376 28.337 11.303 1.00203.92 C ATOM 1787 OD1 ASP A 110 17.110 27.174 10.934 1.00203.92 O ATOM 1788 OD2 ASP A 110 18.541 28.781 11.380 1.00203.92 O ATOM 0 H ASP A 110 15.530 28.805 9.336 1.00203.92 H new ATOM 0 HA ASP A 110 14.793 27.680 11.777 1.00203.92 H new ATOM 0 HB2 ASP A 110 16.352 30.212 11.160 1.00203.92 H new ATOM 0 HB3 ASP A 110 16.267 29.467 12.744 1.00203.92 H new ATOM 1793 N ILE A 111 13.378 30.548 11.054 1.00 50.97 N ATOM 1794 CA ILE A 111 12.308 31.454 11.379 1.00 50.97 C ATOM 1795 C ILE A 111 11.005 30.873 10.834 1.00 50.97 C ATOM 1796 O ILE A 111 10.932 30.493 9.665 1.00 50.97 O ATOM 1797 CB ILE A 111 12.596 32.848 10.786 1.00 50.97 C ATOM 1798 CG1 ILE A 111 13.852 33.433 11.429 1.00 50.97 C ATOM 1799 CG2 ILE A 111 11.414 33.782 10.973 1.00 50.97 C ATOM 1800 CD1 ILE A 111 14.334 34.700 10.764 1.00 50.97 C ATOM 0 H ILE A 111 13.819 30.732 10.153 1.00 50.97 H new ATOM 0 HA ILE A 111 12.222 31.572 12.459 1.00 50.97 H new ATOM 0 HB ILE A 111 12.761 32.739 9.714 1.00 50.97 H new ATOM 0 HG12 ILE A 111 13.651 33.638 12.481 1.00 50.97 H new ATOM 0 HG13 ILE A 111 14.648 32.689 11.396 1.00 50.97 H new ATOM 0 HG21 ILE A 111 11.649 34.756 10.544 1.00 50.97 H new ATOM 0 HG22 ILE A 111 10.539 33.367 10.473 1.00 50.97 H new ATOM 0 HG23 ILE A 111 11.204 33.895 12.037 1.00 50.97 H new ATOM 0 HD11 ILE A 111 15.229 35.060 11.272 1.00 50.97 H new ATOM 0 HD12 ILE A 111 14.567 34.496 9.719 1.00 50.97 H new ATOM 0 HD13 ILE A 111 13.554 35.460 10.820 1.00 50.97 H new ATOM 1812 N ILE A 112 9.996 30.764 11.685 1.00108.96 N ATOM 1813 CA ILE A 112 8.727 30.179 11.270 1.00108.96 C ATOM 1814 C ILE A 112 7.716 31.229 10.824 1.00108.96 C ATOM 1815 O ILE A 112 7.392 32.158 11.565 1.00108.96 O ATOM 1816 CB ILE A 112 8.109 29.342 12.410 1.00108.96 C ATOM 1817 CG1 ILE A 112 9.132 28.345 12.969 1.00108.96 C ATOM 1818 CG2 ILE A 112 6.864 28.613 11.922 1.00108.96 C ATOM 1819 CD1 ILE A 112 9.809 27.495 11.913 1.00108.96 C ATOM 0 H ILE A 112 10.028 31.069 12.658 1.00108.96 H new ATOM 0 HA ILE A 112 8.952 29.539 10.417 1.00108.96 H new ATOM 0 HB ILE A 112 7.820 30.020 13.213 1.00108.96 H new ATOM 0 HG12 ILE A 112 9.894 28.894 13.521 1.00108.96 H new ATOM 0 HG13 ILE A 112 8.632 27.689 13.682 1.00108.96 H new ATOM 0 HG21 ILE A 112 6.441 28.028 12.739 1.00108.96 H new ATOM 0 HG22 ILE A 112 6.128 29.340 11.578 1.00108.96 H new ATOM 0 HG23 ILE A 112 7.130 27.949 11.100 1.00108.96 H new ATOM 0 HD11 ILE A 112 10.517 26.817 12.390 1.00108.96 H new ATOM 0 HD12 ILE A 112 9.058 26.916 11.376 1.00108.96 H new ATOM 0 HD13 ILE A 112 10.340 28.140 11.212 1.00108.96 H new