USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 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 Single : A 1 MET CE :methyl 162:sc= -0.0739 (180deg=-0.451) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.71! C(o=-2.7!,f=-7.9!) USER MOD Single : A 10 GLN :FLIP amide:sc= -1.15 F(o=-5.7!,f=-1.2) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.84 F(o=-3.1!,f=-1.8) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0203 F(o=-2.5!,f=-0.02) USER MOD Single : A 23 SER OG : rot -76:sc= 0.12 USER MOD Single : A 24 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.3) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.319 F(o=-1,f=-0.32) USER MOD Single : A 28 MET CE :methyl -158:sc= -0.142 (180deg=-0.598) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 73:sc= 0.734 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0865) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -169:sc= -0.0683 USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.17) USER MOD Single : A 51 THR OG1 : rot 1:sc= -1.05! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 131:sc= -0.0624 (180deg=-1.36!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1) USER MOD Single : A 66 ASN : amide:sc= 0.177 K(o=0.18,f=-9.9!) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= -0.305! (180deg=-1.71!) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= -2.82! (180deg=-4.1!) USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= 0.883 (180deg=-0.73) USER MOD Single : A 79 SER OG : rot 62:sc= 0.121 USER MOD Single : A 81 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.046) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.437 K(o=-0.44,f=-4.1!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.585 -0.287 -2.265 1.00 2.52 N ATOM 2 CA MET A 1 4.006 -1.446 -1.431 1.00 12.22 C ATOM 3 C MET A 1 4.030 -2.741 -2.256 1.00 64.35 C ATOM 4 O MET A 1 2.989 -3.347 -2.505 1.00 61.45 O ATOM 5 CB MET A 1 3.060 -1.606 -0.230 1.00 15.21 C ATOM 6 CG MET A 1 3.473 -2.702 0.745 1.00 71.02 C ATOM 7 SD MET A 1 2.320 -2.874 2.123 1.00 23.05 S ATOM 8 CE MET A 1 0.858 -3.481 1.276 1.00 32.02 C ATOM 0 H1 MET A 1 3.577 0.575 -1.683 1.00 2.52 H new ATOM 0 H2 MET A 1 4.252 -0.166 -3.054 1.00 2.52 H new ATOM 0 H3 MET A 1 2.631 -0.459 -2.642 1.00 2.52 H new ATOM 0 HA MET A 1 5.016 -1.253 -1.069 1.00 12.22 H new ATOM 0 HB2 MET A 1 3.007 -0.658 0.306 1.00 15.21 H new ATOM 0 HB3 MET A 1 2.057 -1.821 -0.598 1.00 15.21 H new ATOM 0 HG2 MET A 1 3.541 -3.651 0.212 1.00 71.02 H new ATOM 0 HG3 MET A 1 4.468 -2.482 1.133 1.00 71.02 H new ATOM 0 HE1 MET A 1 0.180 -3.933 2.000 1.00 32.02 H new ATOM 0 HE2 MET A 1 0.356 -2.652 0.777 1.00 32.02 H new ATOM 0 HE3 MET A 1 1.149 -4.227 0.537 1.00 32.02 H new ATOM 20 N THR A 2 5.219 -3.155 -2.683 1.00 43.24 N ATOM 21 CA THR A 2 5.374 -4.371 -3.499 1.00 12.31 C ATOM 22 C THR A 2 5.323 -5.645 -2.640 1.00 21.33 C ATOM 23 O THR A 2 4.833 -6.685 -3.082 1.00 45.13 O ATOM 24 CB THR A 2 6.698 -4.351 -4.306 1.00 1.51 C ATOM 25 OG1 THR A 2 6.826 -5.546 -5.094 1.00 60.21 O ATOM 26 CG2 THR A 2 7.911 -4.211 -3.386 1.00 14.31 C ATOM 0 H THR A 2 6.094 -2.671 -2.481 1.00 43.24 H new ATOM 0 HA THR A 2 4.535 -4.383 -4.194 1.00 12.31 H new ATOM 0 HB THR A 2 6.665 -3.485 -4.966 1.00 1.51 H new ATOM 0 HG1 THR A 2 7.666 -5.517 -5.598 1.00 60.21 H new ATOM 0 HG21 THR A 2 8.822 -4.200 -3.984 1.00 14.31 H new ATOM 0 HG22 THR A 2 7.835 -3.280 -2.823 1.00 14.31 H new ATOM 0 HG23 THR A 2 7.941 -5.052 -2.694 1.00 14.31 H new ATOM 34 N ALA A 3 5.826 -5.552 -1.410 1.00 31.04 N ATOM 35 CA ALA A 3 5.834 -6.690 -0.482 1.00 11.45 C ATOM 36 C ALA A 3 5.631 -6.230 0.970 1.00 25.33 C ATOM 37 O ALA A 3 5.719 -5.038 1.271 1.00 10.12 O ATOM 38 CB ALA A 3 7.141 -7.466 -0.613 1.00 24.12 C ATOM 0 H ALA A 3 6.235 -4.699 -1.029 1.00 31.04 H new ATOM 0 HA ALA A 3 5.003 -7.344 -0.745 1.00 11.45 H new ATOM 0 HB1 ALA A 3 7.136 -8.307 0.080 1.00 24.12 H new ATOM 0 HB2 ALA A 3 7.244 -7.836 -1.633 1.00 24.12 H new ATOM 0 HB3 ALA A 3 7.979 -6.809 -0.380 1.00 24.12 H new ATOM 44 N ALA A 4 5.347 -7.179 1.862 1.00 34.43 N ATOM 45 CA ALA A 4 5.179 -6.881 3.289 1.00 52.33 C ATOM 46 C ALA A 4 6.470 -6.311 3.910 1.00 53.51 C ATOM 47 O ALA A 4 7.576 -6.710 3.539 1.00 34.04 O ATOM 48 CB ALA A 4 4.732 -8.137 4.034 1.00 14.23 C ATOM 0 H ALA A 4 5.228 -8.163 1.623 1.00 34.43 H new ATOM 0 HA ALA A 4 4.409 -6.115 3.385 1.00 52.33 H new ATOM 0 HB1 ALA A 4 4.609 -7.908 5.093 1.00 14.23 H new ATOM 0 HB2 ALA A 4 3.783 -8.484 3.626 1.00 14.23 H new ATOM 0 HB3 ALA A 4 5.484 -8.917 3.916 1.00 14.23 H new ATOM 54 N PRO A 5 6.348 -5.365 4.863 1.00 61.21 N ATOM 55 CA PRO A 5 7.516 -4.757 5.531 1.00 61.00 C ATOM 56 C PRO A 5 8.327 -5.772 6.361 1.00 14.13 C ATOM 57 O PRO A 5 9.552 -5.660 6.472 1.00 4.25 O ATOM 58 CB PRO A 5 6.892 -3.683 6.441 1.00 33.03 C ATOM 59 CG PRO A 5 5.478 -4.124 6.639 1.00 22.00 C ATOM 60 CD PRO A 5 5.076 -4.798 5.354 1.00 64.41 C ATOM 0 HA PRO A 5 8.230 -4.360 4.810 1.00 61.00 H new ATOM 0 HB2 PRO A 5 7.421 -3.614 7.391 1.00 33.03 H new ATOM 0 HB3 PRO A 5 6.938 -2.697 5.978 1.00 33.03 H new ATOM 0 HG2 PRO A 5 5.396 -4.810 7.483 1.00 22.00 H new ATOM 0 HG3 PRO A 5 4.830 -3.275 6.855 1.00 22.00 H new ATOM 0 HD2 PRO A 5 4.327 -5.572 5.522 1.00 64.41 H new ATOM 0 HD3 PRO A 5 4.649 -4.090 4.644 1.00 64.41 H new ATOM 68 N ALA A 6 7.629 -6.756 6.940 1.00 74.25 N ATOM 69 CA ALA A 6 8.254 -7.813 7.753 1.00 5.44 C ATOM 70 C ALA A 6 8.953 -7.258 9.011 1.00 43.34 C ATOM 71 O ALA A 6 8.408 -7.320 10.111 1.00 64.41 O ATOM 72 CB ALA A 6 9.230 -8.634 6.910 1.00 24.35 C ATOM 0 H ALA A 6 6.616 -6.844 6.860 1.00 74.25 H new ATOM 0 HA ALA A 6 7.451 -8.464 8.099 1.00 5.44 H new ATOM 0 HB1 ALA A 6 9.682 -9.410 7.528 1.00 24.35 H new ATOM 0 HB2 ALA A 6 8.695 -9.097 6.081 1.00 24.35 H new ATOM 0 HB3 ALA A 6 10.011 -7.982 6.519 1.00 24.35 H new ATOM 78 N SER A 7 10.153 -6.709 8.837 1.00 35.05 N ATOM 79 CA SER A 7 10.950 -6.197 9.962 1.00 72.51 C ATOM 80 C SER A 7 10.287 -4.970 10.622 1.00 71.02 C ATOM 81 O SER A 7 9.894 -4.020 9.937 1.00 22.10 O ATOM 82 CB SER A 7 12.363 -5.837 9.488 1.00 32.23 C ATOM 83 OG SER A 7 13.016 -6.957 8.904 1.00 33.40 O ATOM 0 H SER A 7 10.601 -6.605 7.926 1.00 35.05 H new ATOM 0 HA SER A 7 11.008 -6.987 10.711 1.00 72.51 H new ATOM 0 HB2 SER A 7 12.309 -5.026 8.762 1.00 32.23 H new ATOM 0 HB3 SER A 7 12.949 -5.471 10.331 1.00 32.23 H new ATOM 0 HG SER A 7 13.914 -6.696 8.610 1.00 33.40 H new ATOM 89 N PRO A 8 10.175 -4.973 11.972 1.00 5.12 N ATOM 90 CA PRO A 8 9.487 -3.909 12.739 1.00 24.00 C ATOM 91 C PRO A 8 9.936 -2.477 12.387 1.00 1.22 C ATOM 92 O PRO A 8 9.166 -1.524 12.538 1.00 42.10 O ATOM 93 CB PRO A 8 9.846 -4.240 14.194 1.00 63.40 C ATOM 94 CG PRO A 8 10.075 -5.713 14.194 1.00 22.44 C ATOM 95 CD PRO A 8 10.704 -6.030 12.865 1.00 25.05 C ATOM 0 HA PRO A 8 8.419 -3.904 12.521 1.00 24.00 H new ATOM 0 HB2 PRO A 8 10.736 -3.700 14.516 1.00 63.40 H new ATOM 0 HB3 PRO A 8 9.041 -3.963 14.875 1.00 63.40 H new ATOM 0 HG2 PRO A 8 10.728 -6.007 15.016 1.00 22.44 H new ATOM 0 HG3 PRO A 8 9.138 -6.254 14.322 1.00 22.44 H new ATOM 0 HD2 PRO A 8 11.792 -6.002 12.919 1.00 25.05 H new ATOM 0 HD3 PRO A 8 10.427 -7.025 12.517 1.00 25.05 H new ATOM 103 N GLN A 9 11.173 -2.332 11.913 1.00 20.52 N ATOM 104 CA GLN A 9 11.736 -1.010 11.600 1.00 72.44 C ATOM 105 C GLN A 9 10.912 -0.289 10.514 1.00 31.34 C ATOM 106 O GLN A 9 10.645 0.909 10.615 1.00 11.02 O ATOM 107 CB GLN A 9 13.202 -1.136 11.139 1.00 12.33 C ATOM 108 CG GLN A 9 14.161 -1.707 12.191 1.00 13.13 C ATOM 109 CD GLN A 9 13.938 -3.186 12.473 1.00 32.12 C ATOM 110 OE1 GLN A 9 13.499 -3.939 11.611 1.00 63.54 O ATOM 111 NE2 GLN A 9 14.236 -3.620 13.677 1.00 14.31 N ATOM 0 H GLN A 9 11.808 -3.111 11.736 1.00 20.52 H new ATOM 0 HA GLN A 9 11.697 -0.417 12.514 1.00 72.44 H new ATOM 0 HB2 GLN A 9 13.236 -1.771 10.254 1.00 12.33 H new ATOM 0 HB3 GLN A 9 13.559 -0.151 10.839 1.00 12.33 H new ATOM 0 HG2 GLN A 9 15.187 -1.560 11.854 1.00 13.13 H new ATOM 0 HG3 GLN A 9 14.046 -1.146 13.119 1.00 13.13 H new ATOM 0 HE21 GLN A 9 14.600 -2.973 14.377 1.00 14.31 H new ATOM 0 HE22 GLN A 9 14.103 -4.604 13.912 1.00 14.31 H new ATOM 120 N GLN A 10 10.514 -1.025 9.478 1.00 33.35 N ATOM 121 CA GLN A 10 9.648 -0.477 8.421 1.00 32.24 C ATOM 122 C GLN A 10 8.221 -0.206 8.934 1.00 24.45 C ATOM 123 O GLN A 10 7.607 0.807 8.591 1.00 75.44 O ATOM 124 CB GLN A 10 9.596 -1.429 7.213 1.00 31.12 C ATOM 125 CG GLN A 10 10.865 -1.437 6.360 1.00 5.12 C ATOM 126 CD GLN A 10 12.080 -2.026 7.063 1.00 33.31 C ATOM 127 OE1 GLN A 10 11.871 -3.024 7.901 1.00 65.13 O flip ATOM 128 NE2 GLN A 10 13.208 -1.606 6.827 1.00 50.31 N flip ATOM 0 H GLN A 10 10.774 -2.002 9.343 1.00 33.35 H new ATOM 0 HA GLN A 10 10.082 0.474 8.111 1.00 32.24 H new ATOM 0 HB2 GLN A 10 9.407 -2.441 7.571 1.00 31.12 H new ATOM 0 HB3 GLN A 10 8.751 -1.151 6.583 1.00 31.12 H new ATOM 0 HG2 GLN A 10 10.675 -2.005 5.449 1.00 5.12 H new ATOM 0 HG3 GLN A 10 11.093 -0.415 6.057 1.00 5.12 H new ATOM 0 HE21 GLN A 10 13.338 -0.833 6.174 1.00 50.31 H new ATOM 0 HE22 GLN A 10 14.016 -2.030 7.283 1.00 50.31 H new ATOM 137 N ILE A 11 7.706 -1.114 9.765 1.00 22.24 N ATOM 138 CA ILE A 11 6.340 -1.007 10.301 1.00 23.43 C ATOM 139 C ILE A 11 6.163 0.272 11.139 1.00 64.51 C ATOM 140 O ILE A 11 5.109 0.913 11.105 1.00 61.43 O ATOM 141 CB ILE A 11 5.990 -2.245 11.174 1.00 52.21 C ATOM 142 CG1 ILE A 11 6.199 -3.540 10.368 1.00 62.31 C ATOM 143 CG2 ILE A 11 4.551 -2.156 11.689 1.00 53.04 C ATOM 144 CD1 ILE A 11 5.948 -4.808 11.160 1.00 42.22 C ATOM 0 H ILE A 11 8.215 -1.938 10.085 1.00 22.24 H new ATOM 0 HA ILE A 11 5.663 -0.963 9.448 1.00 23.43 H new ATOM 0 HB ILE A 11 6.657 -2.260 12.036 1.00 52.21 H new ATOM 0 HG12 ILE A 11 5.537 -3.528 9.502 1.00 62.31 H new ATOM 0 HG13 ILE A 11 7.220 -3.558 9.988 1.00 62.31 H new ATOM 0 HG21 ILE A 11 4.327 -3.032 12.297 1.00 53.04 H new ATOM 0 HG22 ILE A 11 4.436 -1.256 12.293 1.00 53.04 H new ATOM 0 HG23 ILE A 11 3.864 -2.116 10.844 1.00 53.04 H new ATOM 0 HD11 ILE A 11 6.116 -5.675 10.521 1.00 42.22 H new ATOM 0 HD12 ILE A 11 6.628 -4.846 12.011 1.00 42.22 H new ATOM 0 HD13 ILE A 11 4.919 -4.816 11.518 1.00 42.22 H new ATOM 156 N ARG A 12 7.217 0.649 11.860 1.00 22.33 N ATOM 157 CA ARG A 12 7.205 1.844 12.714 1.00 31.20 C ATOM 158 C ARG A 12 6.857 3.112 11.915 1.00 73.15 C ATOM 159 O ARG A 12 6.099 3.964 12.377 1.00 44.43 O ATOM 160 CB ARG A 12 8.585 2.013 13.366 1.00 20.11 C ATOM 161 CG ARG A 12 8.664 3.132 14.405 1.00 53.32 C ATOM 162 CD ARG A 12 10.103 3.371 14.856 1.00 2.12 C ATOM 163 NE ARG A 12 10.192 4.280 15.998 1.00 45.43 N ATOM 164 CZ ARG A 12 11.151 5.149 16.177 1.00 24.53 C ATOM 165 NH1 ARG A 12 12.033 5.355 15.250 1.00 13.44 N1+ ATOM 166 NH2 ARG A 12 11.207 5.832 17.274 1.00 14.13 N ATOM 0 H ARG A 12 8.101 0.140 11.872 1.00 22.33 H new ATOM 0 HA ARG A 12 6.438 1.708 13.476 1.00 31.20 H new ATOM 0 HB2 ARG A 12 8.866 1.073 13.841 1.00 20.11 H new ATOM 0 HB3 ARG A 12 9.320 2.207 12.585 1.00 20.11 H new ATOM 0 HG2 ARG A 12 8.255 4.051 13.985 1.00 53.32 H new ATOM 0 HG3 ARG A 12 8.049 2.875 15.267 1.00 53.32 H new ATOM 0 HD2 ARG A 12 10.560 2.417 15.119 1.00 2.12 H new ATOM 0 HD3 ARG A 12 10.677 3.781 14.025 1.00 2.12 H new ATOM 0 HE ARG A 12 9.456 4.232 16.702 1.00 45.43 H new ATOM 0 HH11 ARG A 12 11.982 4.837 14.373 1.00 13.44 H new ATOM 0 HH12 ARG A 12 12.779 6.035 15.398 1.00 13.44 H new ATOM 0 HH21 ARG A 12 10.503 5.692 17.998 1.00 14.13 H new ATOM 0 HH22 ARG A 12 11.955 6.511 17.415 1.00 14.13 H new ATOM 180 N ASP A 13 7.408 3.216 10.707 1.00 12.34 N ATOM 181 CA ASP A 13 7.220 4.397 9.855 1.00 54.42 C ATOM 182 C ASP A 13 5.728 4.668 9.563 1.00 63.42 C ATOM 183 O ASP A 13 5.286 5.822 9.531 1.00 22.01 O ATOM 184 CB ASP A 13 8.001 4.209 8.547 1.00 50.11 C ATOM 185 CG ASP A 13 7.991 5.449 7.673 1.00 24.33 C ATOM 186 OD1 ASP A 13 7.372 5.421 6.586 1.00 24.11 O ATOM 187 OD2 ASP A 13 8.598 6.461 8.072 1.00 43.41 O1- ATOM 0 H ASP A 13 7.994 2.492 10.290 1.00 12.34 H new ATOM 0 HA ASP A 13 7.601 5.267 10.389 1.00 54.42 H new ATOM 0 HB2 ASP A 13 9.032 3.942 8.780 1.00 50.11 H new ATOM 0 HB3 ASP A 13 7.574 3.375 7.991 1.00 50.11 H new ATOM 192 N ARG A 14 4.956 3.603 9.358 1.00 44.00 N ATOM 193 CA ARG A 14 3.518 3.728 9.075 1.00 10.44 C ATOM 194 C ARG A 14 2.719 4.192 10.303 1.00 70.20 C ATOM 195 O ARG A 14 1.696 4.859 10.166 1.00 13.01 O ATOM 196 CB ARG A 14 2.948 2.405 8.536 1.00 55.33 C ATOM 197 CG ARG A 14 3.237 2.180 7.054 1.00 41.13 C ATOM 198 CD ARG A 14 2.584 0.902 6.532 1.00 1.21 C ATOM 199 NE ARG A 14 2.573 0.860 5.072 1.00 64.32 N ATOM 200 CZ ARG A 14 2.664 -0.228 4.358 1.00 53.13 C ATOM 201 NH1 ARG A 14 2.791 -1.387 4.920 1.00 21.14 N1+ ATOM 202 NH2 ARG A 14 2.617 -0.153 3.070 1.00 65.10 N ATOM 0 H ARG A 14 5.297 2.642 9.381 1.00 44.00 H new ATOM 0 HA ARG A 14 3.414 4.497 8.309 1.00 10.44 H new ATOM 0 HB2 ARG A 14 3.365 1.578 9.110 1.00 55.33 H new ATOM 0 HB3 ARG A 14 1.870 2.391 8.695 1.00 55.33 H new ATOM 0 HG2 ARG A 14 2.874 3.033 6.480 1.00 41.13 H new ATOM 0 HG3 ARG A 14 4.315 2.126 6.899 1.00 41.13 H new ATOM 0 HD2 ARG A 14 3.121 0.035 6.917 1.00 1.21 H new ATOM 0 HD3 ARG A 14 1.562 0.836 6.906 1.00 1.21 H new ATOM 0 HE ARG A 14 2.488 1.746 4.574 1.00 64.32 H new ATOM 0 HH11 ARG A 14 2.821 -1.460 5.937 1.00 21.14 H new ATOM 0 HH12 ARG A 14 2.861 -2.227 4.346 1.00 21.14 H new ATOM 0 HH21 ARG A 14 2.509 0.754 2.616 1.00 65.10 H new ATOM 0 HH22 ARG A 14 2.688 -1.001 2.507 1.00 65.10 H new ATOM 216 N LEU A 15 3.180 3.830 11.496 1.00 41.04 N ATOM 217 CA LEU A 15 2.477 4.184 12.739 1.00 2.21 C ATOM 218 C LEU A 15 2.355 5.715 12.910 1.00 5.52 C ATOM 219 O LEU A 15 1.264 6.241 13.141 1.00 33.10 O ATOM 220 CB LEU A 15 3.217 3.546 13.938 1.00 3.23 C ATOM 221 CG LEU A 15 2.495 3.578 15.308 1.00 74.01 C ATOM 222 CD1 LEU A 15 2.580 4.957 15.965 1.00 45.15 C ATOM 223 CD2 LEU A 15 1.036 3.140 15.161 1.00 1.22 C ATOM 0 H LEU A 15 4.035 3.292 11.636 1.00 41.04 H new ATOM 0 HA LEU A 15 1.461 3.793 12.692 1.00 2.21 H new ATOM 0 HB2 LEU A 15 3.428 2.506 13.691 1.00 3.23 H new ATOM 0 HB3 LEU A 15 4.178 4.049 14.050 1.00 3.23 H new ATOM 0 HG LEU A 15 3.007 2.872 15.962 1.00 74.01 H new ATOM 0 HD11 LEU A 15 2.061 4.936 16.923 1.00 45.15 H new ATOM 0 HD12 LEU A 15 3.626 5.220 16.124 1.00 45.15 H new ATOM 0 HD13 LEU A 15 2.114 5.698 15.316 1.00 45.15 H new ATOM 0 HD21 LEU A 15 0.547 3.170 16.135 1.00 1.22 H new ATOM 0 HD22 LEU A 15 0.521 3.814 14.476 1.00 1.22 H new ATOM 0 HD23 LEU A 15 0.999 2.124 14.767 1.00 1.22 H new ATOM 235 N LEU A 16 3.475 6.424 12.763 1.00 61.12 N ATOM 236 CA LEU A 16 3.524 7.879 13.014 1.00 31.31 C ATOM 237 C LEU A 16 2.599 8.687 12.080 1.00 45.04 C ATOM 238 O LEU A 16 2.038 9.707 12.483 1.00 20.41 O ATOM 239 CB LEU A 16 4.966 8.404 12.887 1.00 30.35 C ATOM 240 CG LEU A 16 5.920 8.044 14.045 1.00 32.12 C ATOM 241 CD1 LEU A 16 6.178 6.540 14.114 1.00 23.44 C ATOM 242 CD2 LEU A 16 7.232 8.813 13.910 1.00 34.44 C ATOM 0 H LEU A 16 4.365 6.021 12.471 1.00 61.12 H new ATOM 0 HA LEU A 16 3.163 8.022 14.033 1.00 31.31 H new ATOM 0 HB2 LEU A 16 5.391 8.020 11.959 1.00 30.35 H new ATOM 0 HB3 LEU A 16 4.930 9.490 12.796 1.00 30.35 H new ATOM 0 HG LEU A 16 5.438 8.335 14.978 1.00 32.12 H new ATOM 0 HD11 LEU A 16 6.854 6.324 14.941 1.00 23.44 H new ATOM 0 HD12 LEU A 16 5.235 6.016 14.270 1.00 23.44 H new ATOM 0 HD13 LEU A 16 6.629 6.205 13.180 1.00 23.44 H new ATOM 0 HD21 LEU A 16 7.895 8.549 14.734 1.00 34.44 H new ATOM 0 HD22 LEU A 16 7.709 8.556 12.964 1.00 34.44 H new ATOM 0 HD23 LEU A 16 7.030 9.884 13.936 1.00 34.44 H new ATOM 254 N GLN A 17 2.443 8.243 10.836 1.00 43.24 N ATOM 255 CA GLN A 17 1.625 8.982 9.864 1.00 14.40 C ATOM 256 C GLN A 17 0.117 8.768 10.098 1.00 11.00 C ATOM 257 O GLN A 17 -0.709 9.558 9.635 1.00 34.24 O ATOM 258 CB GLN A 17 2.019 8.597 8.423 1.00 24.53 C ATOM 259 CG GLN A 17 1.827 7.119 8.074 1.00 23.50 C ATOM 260 CD GLN A 17 0.388 6.750 7.737 1.00 13.12 C ATOM 261 OE1 GLN A 17 -0.004 5.532 8.048 1.00 42.13 O flip ATOM 262 NE2 GLN A 17 -0.369 7.558 7.211 1.00 33.13 N flip ATOM 0 H GLN A 17 2.864 7.387 10.475 1.00 43.24 H new ATOM 0 HA GLN A 17 1.824 10.044 10.008 1.00 14.40 H new ATOM 0 HB2 GLN A 17 1.432 9.198 7.729 1.00 24.53 H new ATOM 0 HB3 GLN A 17 3.065 8.859 8.266 1.00 24.53 H new ATOM 0 HG2 GLN A 17 2.465 6.870 7.226 1.00 23.50 H new ATOM 0 HG3 GLN A 17 2.161 6.510 8.914 1.00 23.50 H new ATOM 0 HE21 GLN A 17 -0.036 8.494 6.982 1.00 33.13 H new ATOM 0 HE22 GLN A 17 -1.332 7.294 7.003 1.00 33.13 H new ATOM 271 N ALA A 18 -0.235 7.722 10.843 1.00 25.51 N ATOM 272 CA ALA A 18 -1.641 7.336 11.026 1.00 1.54 C ATOM 273 C ALA A 18 -2.299 8.041 12.224 1.00 33.42 C ATOM 274 O ALA A 18 -3.529 8.120 12.313 1.00 20.05 O ATOM 275 CB ALA A 18 -1.736 5.823 11.191 1.00 61.15 C ATOM 0 H ALA A 18 0.431 7.124 11.332 1.00 25.51 H new ATOM 0 HA ALA A 18 -2.185 7.652 10.136 1.00 1.54 H new ATOM 0 HB1 ALA A 18 -2.779 5.537 11.327 1.00 61.15 H new ATOM 0 HB2 ALA A 18 -1.338 5.334 10.302 1.00 61.15 H new ATOM 0 HB3 ALA A 18 -1.159 5.515 12.063 1.00 61.15 H new ATOM 281 N ILE A 19 -1.483 8.556 13.138 1.00 31.41 N ATOM 282 CA ILE A 19 -1.986 9.226 14.351 1.00 5.34 C ATOM 283 C ILE A 19 -1.203 10.511 14.671 1.00 41.40 C ATOM 284 O ILE A 19 -0.070 10.695 14.221 1.00 14.24 O ATOM 285 CB ILE A 19 -1.925 8.290 15.588 1.00 61.31 C ATOM 286 CG1 ILE A 19 -0.489 7.779 15.815 1.00 21.53 C ATOM 287 CG2 ILE A 19 -2.905 7.125 15.438 1.00 11.33 C ATOM 288 CD1 ILE A 19 -0.334 6.906 17.044 1.00 43.45 C ATOM 0 H ILE A 19 -0.466 8.526 13.069 1.00 31.41 H new ATOM 0 HA ILE A 19 -3.023 9.485 14.139 1.00 5.34 H new ATOM 0 HB ILE A 19 -2.221 8.865 16.465 1.00 61.31 H new ATOM 0 HG12 ILE A 19 -0.172 7.214 14.938 1.00 21.53 H new ATOM 0 HG13 ILE A 19 0.181 8.634 15.902 1.00 21.53 H new ATOM 0 HG21 ILE A 19 -2.844 6.483 16.317 1.00 11.33 H new ATOM 0 HG22 ILE A 19 -3.919 7.513 15.341 1.00 11.33 H new ATOM 0 HG23 ILE A 19 -2.651 6.548 14.549 1.00 11.33 H new ATOM 0 HD11 ILE A 19 0.704 6.586 17.135 1.00 43.45 H new ATOM 0 HD12 ILE A 19 -0.618 7.472 17.931 1.00 43.45 H new ATOM 0 HD13 ILE A 19 -0.976 6.030 16.952 1.00 43.45 H new ATOM 300 N ASP A 20 -1.821 11.395 15.452 1.00 50.42 N ATOM 301 CA ASP A 20 -1.181 12.642 15.883 1.00 3.25 C ATOM 302 C ASP A 20 -0.457 12.476 17.237 1.00 21.11 C ATOM 303 O ASP A 20 -0.769 11.562 18.005 1.00 15.32 O ATOM 304 CB ASP A 20 -2.230 13.755 15.961 1.00 23.12 C ATOM 305 CG ASP A 20 -2.723 14.172 14.587 1.00 60.22 C ATOM 306 OD1 ASP A 20 -3.694 13.576 14.091 1.00 5.04 O ATOM 307 OD2 ASP A 20 -2.125 15.100 13.993 1.00 23.10 O1- ATOM 0 H ASP A 20 -2.771 11.272 15.803 1.00 50.42 H new ATOM 0 HA ASP A 20 -0.423 12.910 15.147 1.00 3.25 H new ATOM 0 HB2 ASP A 20 -3.074 13.415 16.561 1.00 23.12 H new ATOM 0 HB3 ASP A 20 -1.804 14.619 16.471 1.00 23.12 H new ATOM 312 N PRO A 21 0.521 13.368 17.548 1.00 1.11 N ATOM 313 CA PRO A 21 1.353 13.273 18.772 1.00 63.42 C ATOM 314 C PRO A 21 0.565 13.021 20.074 1.00 2.51 C ATOM 315 O PRO A 21 1.092 12.428 21.016 1.00 65.42 O ATOM 316 CB PRO A 21 2.046 14.641 18.822 1.00 11.14 C ATOM 317 CG PRO A 21 2.157 15.049 17.393 1.00 13.00 C ATOM 318 CD PRO A 21 0.911 14.534 16.720 1.00 63.13 C ATOM 0 HA PRO A 21 2.024 12.416 18.717 1.00 63.42 H new ATOM 0 HB2 PRO A 21 1.464 15.361 19.397 1.00 11.14 H new ATOM 0 HB3 PRO A 21 3.026 14.574 19.294 1.00 11.14 H new ATOM 0 HG2 PRO A 21 2.232 16.132 17.301 1.00 13.00 H new ATOM 0 HG3 PRO A 21 3.052 14.627 16.935 1.00 13.00 H new ATOM 0 HD2 PRO A 21 0.126 15.290 16.698 1.00 63.13 H new ATOM 0 HD3 PRO A 21 1.104 14.245 15.687 1.00 63.13 H new ATOM 326 N GLN A 22 -0.695 13.457 20.128 1.00 5.03 N ATOM 327 CA GLN A 22 -1.540 13.215 21.310 1.00 63.35 C ATOM 328 C GLN A 22 -2.221 11.830 21.263 1.00 3.15 C ATOM 329 O GLN A 22 -3.238 11.613 21.922 1.00 22.44 O ATOM 330 CB GLN A 22 -2.603 14.324 21.451 1.00 71.30 C ATOM 331 CG GLN A 22 -2.375 15.292 22.618 1.00 34.02 C ATOM 332 CD GLN A 22 -2.710 14.710 23.996 1.00 33.22 C ATOM 333 OE1 GLN A 22 -2.475 13.427 24.210 1.00 44.42 O flip ATOM 334 NE2 GLN A 22 -3.168 15.423 24.881 1.00 51.03 N flip ATOM 0 H GLN A 22 -1.154 13.975 19.378 1.00 5.03 H new ATOM 0 HA GLN A 22 -0.886 13.231 22.182 1.00 63.35 H new ATOM 0 HB2 GLN A 22 -2.635 14.897 20.524 1.00 71.30 H new ATOM 0 HB3 GLN A 22 -3.581 13.857 21.571 1.00 71.30 H new ATOM 0 HG2 GLN A 22 -1.332 15.608 22.614 1.00 34.02 H new ATOM 0 HG3 GLN A 22 -2.979 16.185 22.457 1.00 34.02 H new ATOM 0 HE21 GLN A 22 -3.344 16.411 24.700 1.00 51.03 H new ATOM 0 HE22 GLN A 22 -3.374 15.028 25.799 1.00 51.03 H new ATOM 343 N SER A 23 -1.652 10.907 20.486 1.00 61.12 N ATOM 344 CA SER A 23 -2.142 9.516 20.405 1.00 14.22 C ATOM 345 C SER A 23 -3.574 9.412 19.856 1.00 50.13 C ATOM 346 O SER A 23 -4.229 8.382 20.016 1.00 55.42 O ATOM 347 CB SER A 23 -2.064 8.827 21.779 1.00 30.32 C ATOM 348 OG SER A 23 -0.717 8.586 22.164 1.00 3.51 O ATOM 0 H SER A 23 -0.842 11.094 19.895 1.00 61.12 H new ATOM 0 HA SER A 23 -1.486 9.006 19.699 1.00 14.22 H new ATOM 0 HB2 SER A 23 -2.552 9.450 22.528 1.00 30.32 H new ATOM 0 HB3 SER A 23 -2.609 7.883 21.746 1.00 30.32 H new ATOM 0 HG SER A 23 -0.368 7.816 21.668 1.00 3.51 H new ATOM 354 N ASN A 24 -4.044 10.449 19.170 1.00 70.10 N ATOM 355 CA ASN A 24 -5.402 10.444 18.603 1.00 14.35 C ATOM 356 C ASN A 24 -5.397 10.019 17.123 1.00 43.24 C ATOM 357 O ASN A 24 -4.412 10.216 16.409 1.00 60.34 O ATOM 358 CB ASN A 24 -6.058 11.822 18.772 1.00 34.44 C ATOM 359 CG ASN A 24 -5.238 12.938 18.160 1.00 44.11 C ATOM 360 OD1 ASN A 24 -5.423 13.302 17.007 1.00 65.23 O ATOM 361 ND2 ASN A 24 -4.325 13.486 18.928 1.00 14.53 N ATOM 0 H ASN A 24 -3.514 11.302 18.990 1.00 70.10 H new ATOM 0 HA ASN A 24 -5.990 9.708 19.152 1.00 14.35 H new ATOM 0 HB2 ASN A 24 -7.046 11.808 18.312 1.00 34.44 H new ATOM 0 HB3 ASN A 24 -6.203 12.023 19.833 1.00 34.44 H new ATOM 0 HD21 ASN A 24 -3.742 14.241 18.568 1.00 14.53 H new ATOM 0 HD22 ASN A 24 -4.199 13.156 19.885 1.00 14.53 H new ATOM 368 N ILE A 25 -6.502 9.422 16.677 1.00 22.44 N ATOM 369 CA ILE A 25 -6.619 8.903 15.306 1.00 31.33 C ATOM 370 C ILE A 25 -6.611 10.022 14.246 1.00 64.13 C ATOM 371 O ILE A 25 -7.490 10.886 14.232 1.00 73.53 O ATOM 372 CB ILE A 25 -7.916 8.062 15.140 1.00 35.15 C ATOM 373 CG1 ILE A 25 -7.835 6.764 15.964 1.00 52.23 C ATOM 374 CG2 ILE A 25 -8.180 7.744 13.667 1.00 32.52 C ATOM 375 CD1 ILE A 25 -6.760 5.805 15.490 1.00 33.01 C ATOM 0 H ILE A 25 -7.337 9.283 17.247 1.00 22.44 H new ATOM 0 HA ILE A 25 -5.743 8.274 15.145 1.00 31.33 H new ATOM 0 HB ILE A 25 -8.749 8.657 15.514 1.00 35.15 H new ATOM 0 HG12 ILE A 25 -7.648 7.018 17.007 1.00 52.23 H new ATOM 0 HG13 ILE A 25 -8.801 6.260 15.927 1.00 52.23 H new ATOM 0 HG21 ILE A 25 -9.093 7.155 13.580 1.00 32.52 H new ATOM 0 HG22 ILE A 25 -8.293 8.673 13.109 1.00 32.52 H new ATOM 0 HG23 ILE A 25 -7.342 7.177 13.261 1.00 32.52 H new ATOM 0 HD11 ILE A 25 -6.764 4.915 16.119 1.00 33.01 H new ATOM 0 HD12 ILE A 25 -6.956 5.520 14.456 1.00 33.01 H new ATOM 0 HD13 ILE A 25 -5.786 6.290 15.554 1.00 33.01 H new ATOM 387 N ARG A 26 -5.616 9.996 13.361 1.00 32.32 N ATOM 388 CA ARG A 26 -5.595 10.882 12.188 1.00 74.12 C ATOM 389 C ARG A 26 -6.214 10.166 10.978 1.00 40.40 C ATOM 390 O ARG A 26 -6.998 10.742 10.222 1.00 42.30 O ATOM 391 CB ARG A 26 -4.151 11.293 11.863 1.00 12.34 C ATOM 392 CG ARG A 26 -4.021 12.225 10.661 1.00 51.23 C ATOM 393 CD ARG A 26 -2.561 12.518 10.328 1.00 4.32 C ATOM 394 NE ARG A 26 -1.860 13.150 11.442 1.00 3.31 N ATOM 395 CZ ARG A 26 -0.712 12.749 11.917 1.00 64.12 C ATOM 396 NH1 ARG A 26 -0.113 11.707 11.423 1.00 72.24 N1+ ATOM 397 NH2 ARG A 26 -0.168 13.390 12.895 1.00 3.52 N ATOM 0 H ARG A 26 -4.812 9.373 13.430 1.00 32.32 H new ATOM 0 HA ARG A 26 -6.178 11.775 12.412 1.00 74.12 H new ATOM 0 HB2 ARG A 26 -3.719 11.782 12.736 1.00 12.34 H new ATOM 0 HB3 ARG A 26 -3.562 10.395 11.677 1.00 12.34 H new ATOM 0 HG2 ARG A 26 -4.508 11.774 9.796 1.00 51.23 H new ATOM 0 HG3 ARG A 26 -4.542 13.160 10.868 1.00 51.23 H new ATOM 0 HD2 ARG A 26 -2.056 11.589 10.063 1.00 4.32 H new ATOM 0 HD3 ARG A 26 -2.512 13.168 9.454 1.00 4.32 H new ATOM 0 HE ARG A 26 -2.298 13.961 11.879 1.00 3.31 H new ATOM 0 HH11 ARG A 26 -0.539 11.191 10.654 1.00 72.24 H new ATOM 0 HH12 ARG A 26 0.784 11.406 11.804 1.00 72.24 H new ATOM 0 HH21 ARG A 26 -0.635 14.205 13.293 1.00 3.52 H new ATOM 0 HH22 ARG A 26 0.729 13.082 13.271 1.00 3.52 H new ATOM 411 N ASN A 27 -5.838 8.901 10.808 1.00 61.34 N ATOM 412 CA ASN A 27 -6.389 8.045 9.754 1.00 51.15 C ATOM 413 C ASN A 27 -6.703 6.641 10.292 1.00 41.14 C ATOM 414 O ASN A 27 -5.805 5.808 10.435 1.00 12.03 O ATOM 415 CB ASN A 27 -5.412 7.953 8.576 1.00 53.11 C ATOM 416 CG ASN A 27 -5.335 9.248 7.795 1.00 4.20 C ATOM 417 OD1 ASN A 27 -4.377 10.087 8.119 1.00 61.15 O flip ATOM 418 ND2 ASN A 27 -6.134 9.493 6.898 1.00 24.22 N flip ATOM 0 H ASN A 27 -5.144 8.438 11.395 1.00 61.34 H new ATOM 0 HA ASN A 27 -7.320 8.494 9.407 1.00 51.15 H new ATOM 0 HB2 ASN A 27 -4.420 7.695 8.948 1.00 53.11 H new ATOM 0 HB3 ASN A 27 -5.722 7.147 7.911 1.00 53.11 H new ATOM 0 HD21 ASN A 27 -6.867 8.821 6.670 1.00 24.22 H new ATOM 0 HD22 ASN A 27 -6.066 10.369 6.380 1.00 24.22 H new ATOM 425 N MET A 28 -7.973 6.384 10.599 1.00 50.44 N ATOM 426 CA MET A 28 -8.388 5.078 11.128 1.00 43.42 C ATOM 427 C MET A 28 -8.099 3.949 10.128 1.00 33.11 C ATOM 428 O MET A 28 -7.664 2.865 10.511 1.00 71.10 O ATOM 429 CB MET A 28 -9.876 5.091 11.507 1.00 4.25 C ATOM 430 CG MET A 28 -10.376 3.769 12.090 1.00 23.11 C ATOM 431 SD MET A 28 -12.073 3.865 12.700 1.00 12.41 S ATOM 432 CE MET A 28 -11.884 5.022 14.057 1.00 50.22 C ATOM 0 H MET A 28 -8.732 7.057 10.493 1.00 50.44 H new ATOM 0 HA MET A 28 -7.802 4.887 12.027 1.00 43.42 H new ATOM 0 HB2 MET A 28 -10.050 5.886 12.232 1.00 4.25 H new ATOM 0 HB3 MET A 28 -10.465 5.333 10.622 1.00 4.25 H new ATOM 0 HG2 MET A 28 -10.314 2.994 11.326 1.00 23.11 H new ATOM 0 HG3 MET A 28 -9.719 3.466 12.905 1.00 23.11 H new ATOM 0 HE1 MET A 28 -12.707 4.896 14.760 1.00 50.22 H new ATOM 0 HE2 MET A 28 -10.939 4.833 14.567 1.00 50.22 H new ATOM 0 HE3 MET A 28 -11.890 6.041 13.670 1.00 50.22 H new ATOM 442 N VAL A 29 -8.328 4.207 8.845 1.00 5.33 N ATOM 443 CA VAL A 29 -8.009 3.226 7.803 1.00 23.10 C ATOM 444 C VAL A 29 -6.513 2.854 7.827 1.00 32.22 C ATOM 445 O VAL A 29 -6.146 1.695 7.621 1.00 4.40 O ATOM 446 CB VAL A 29 -8.396 3.746 6.393 1.00 0.41 C ATOM 447 CG1 VAL A 29 -7.650 5.039 6.057 1.00 72.21 C ATOM 448 CG2 VAL A 29 -8.140 2.674 5.332 1.00 43.31 C ATOM 0 H VAL A 29 -8.730 5.078 8.499 1.00 5.33 H new ATOM 0 HA VAL A 29 -8.598 2.334 8.016 1.00 23.10 H new ATOM 0 HB VAL A 29 -9.463 3.971 6.398 1.00 0.41 H new ATOM 0 HG11 VAL A 29 -7.941 5.379 5.063 1.00 72.21 H new ATOM 0 HG12 VAL A 29 -7.901 5.805 6.791 1.00 72.21 H new ATOM 0 HG13 VAL A 29 -6.576 4.855 6.077 1.00 72.21 H new ATOM 0 HG21 VAL A 29 -8.418 3.059 4.351 1.00 43.31 H new ATOM 0 HG22 VAL A 29 -7.083 2.408 5.331 1.00 43.31 H new ATOM 0 HG23 VAL A 29 -8.736 1.790 5.557 1.00 43.31 H new ATOM 458 N ALA A 30 -5.662 3.844 8.114 1.00 4.23 N ATOM 459 CA ALA A 30 -4.211 3.641 8.158 1.00 3.33 C ATOM 460 C ALA A 30 -3.783 2.794 9.368 1.00 72.22 C ATOM 461 O ALA A 30 -2.937 1.909 9.245 1.00 23.01 O ATOM 462 CB ALA A 30 -3.493 4.984 8.169 1.00 10.33 C ATOM 0 H ALA A 30 -5.955 4.799 8.320 1.00 4.23 H new ATOM 0 HA ALA A 30 -3.929 3.090 7.261 1.00 3.33 H new ATOM 0 HB1 ALA A 30 -2.416 4.820 8.202 1.00 10.33 H new ATOM 0 HB2 ALA A 30 -3.748 5.540 7.267 1.00 10.33 H new ATOM 0 HB3 ALA A 30 -3.800 5.554 9.046 1.00 10.33 H new ATOM 468 N VAL A 31 -4.358 3.069 10.542 1.00 65.01 N ATOM 469 CA VAL A 31 -4.052 2.268 11.734 1.00 21.53 C ATOM 470 C VAL A 31 -4.520 0.814 11.549 1.00 10.02 C ATOM 471 O VAL A 31 -3.834 -0.122 11.956 1.00 65.25 O ATOM 472 CB VAL A 31 -4.654 2.864 13.038 1.00 5.13 C ATOM 473 CG1 VAL A 31 -4.193 4.304 13.237 1.00 62.51 C ATOM 474 CG2 VAL A 31 -6.177 2.776 13.050 1.00 44.52 C ATOM 0 H VAL A 31 -5.026 3.825 10.694 1.00 65.01 H new ATOM 0 HA VAL A 31 -2.968 2.288 11.847 1.00 21.53 H new ATOM 0 HB VAL A 31 -4.286 2.265 13.871 1.00 5.13 H new ATOM 0 HG11 VAL A 31 -4.626 4.701 14.155 1.00 62.51 H new ATOM 0 HG12 VAL A 31 -3.106 4.332 13.307 1.00 62.51 H new ATOM 0 HG13 VAL A 31 -4.517 4.910 12.391 1.00 62.51 H new ATOM 0 HG21 VAL A 31 -6.559 3.203 13.977 1.00 44.52 H new ATOM 0 HG22 VAL A 31 -6.580 3.330 12.203 1.00 44.52 H new ATOM 0 HG23 VAL A 31 -6.482 1.732 12.979 1.00 44.52 H new ATOM 484 N LEU A 32 -5.683 0.633 10.917 1.00 71.43 N ATOM 485 CA LEU A 32 -6.195 -0.708 10.604 1.00 13.05 C ATOM 486 C LEU A 32 -5.200 -1.499 9.737 1.00 13.22 C ATOM 487 O LEU A 32 -5.109 -2.723 9.848 1.00 64.01 O ATOM 488 CB LEU A 32 -7.559 -0.619 9.900 1.00 42.53 C ATOM 489 CG LEU A 32 -8.705 -0.054 10.758 1.00 10.30 C ATOM 490 CD1 LEU A 32 -9.995 0.041 9.946 1.00 43.43 C ATOM 491 CD2 LEU A 32 -8.912 -0.905 12.011 1.00 40.13 C ATOM 0 H LEU A 32 -6.288 1.395 10.612 1.00 71.43 H new ATOM 0 HA LEU A 32 -6.321 -1.240 11.547 1.00 13.05 H new ATOM 0 HB2 LEU A 32 -7.451 0.003 9.012 1.00 42.53 H new ATOM 0 HB3 LEU A 32 -7.839 -1.616 9.559 1.00 42.53 H new ATOM 0 HG LEU A 32 -8.430 0.953 11.073 1.00 10.30 H new ATOM 0 HD11 LEU A 32 -10.791 0.443 10.573 1.00 43.43 H new ATOM 0 HD12 LEU A 32 -9.839 0.699 9.091 1.00 43.43 H new ATOM 0 HD13 LEU A 32 -10.277 -0.951 9.593 1.00 43.43 H new ATOM 0 HD21 LEU A 32 -9.727 -0.488 12.603 1.00 40.13 H new ATOM 0 HD22 LEU A 32 -9.160 -1.926 11.721 1.00 40.13 H new ATOM 0 HD23 LEU A 32 -7.997 -0.908 12.604 1.00 40.13 H new ATOM 503 N GLU A 33 -4.458 -0.796 8.875 1.00 11.12 N ATOM 504 CA GLU A 33 -3.386 -1.422 8.087 1.00 71.12 C ATOM 505 C GLU A 33 -2.292 -1.987 9.008 1.00 11.21 C ATOM 506 O GLU A 33 -1.820 -3.112 8.820 1.00 40.42 O ATOM 507 CB GLU A 33 -2.768 -0.411 7.105 1.00 41.33 C ATOM 508 CG GLU A 33 -3.740 0.114 6.052 1.00 45.43 C ATOM 509 CD GLU A 33 -3.093 1.102 5.088 1.00 11.24 C ATOM 510 OE1 GLU A 33 -2.423 0.659 4.131 1.00 60.02 O ATOM 511 OE2 GLU A 33 -3.253 2.325 5.278 1.00 61.45 O1- ATOM 0 H GLU A 33 -4.578 0.202 8.704 1.00 11.12 H new ATOM 0 HA GLU A 33 -3.826 -2.241 7.518 1.00 71.12 H new ATOM 0 HB2 GLU A 33 -2.373 0.433 7.671 1.00 41.33 H new ATOM 0 HB3 GLU A 33 -1.923 -0.881 6.601 1.00 41.33 H new ATOM 0 HG2 GLU A 33 -4.144 -0.726 5.487 1.00 45.43 H new ATOM 0 HG3 GLU A 33 -4.581 0.597 6.550 1.00 45.43 H new ATOM 518 N VAL A 34 -1.897 -1.197 10.011 1.00 41.30 N ATOM 519 CA VAL A 34 -0.892 -1.633 10.989 1.00 44.44 C ATOM 520 C VAL A 34 -1.403 -2.825 11.810 1.00 43.11 C ATOM 521 O VAL A 34 -0.746 -3.860 11.885 1.00 75.30 O ATOM 522 CB VAL A 34 -0.496 -0.484 11.952 1.00 30.43 C ATOM 523 CG1 VAL A 34 0.512 -0.962 12.999 1.00 23.54 C ATOM 524 CG2 VAL A 34 0.067 0.698 11.170 1.00 13.24 C ATOM 0 H VAL A 34 -2.256 -0.255 10.168 1.00 41.30 H new ATOM 0 HA VAL A 34 -0.011 -1.935 10.423 1.00 44.44 H new ATOM 0 HB VAL A 34 -1.396 -0.160 12.475 1.00 30.43 H new ATOM 0 HG11 VAL A 34 0.771 -0.134 13.660 1.00 23.54 H new ATOM 0 HG12 VAL A 34 0.073 -1.770 13.584 1.00 23.54 H new ATOM 0 HG13 VAL A 34 1.412 -1.323 12.500 1.00 23.54 H new ATOM 0 HG21 VAL A 34 0.340 1.495 11.862 1.00 13.24 H new ATOM 0 HG22 VAL A 34 0.950 0.380 10.616 1.00 13.24 H new ATOM 0 HG23 VAL A 34 -0.686 1.065 10.472 1.00 13.24 H new ATOM 534 N ILE A 35 -2.594 -2.689 12.392 1.00 13.25 N ATOM 535 CA ILE A 35 -3.199 -3.778 13.170 1.00 72.33 C ATOM 536 C ILE A 35 -3.331 -5.055 12.321 1.00 42.54 C ATOM 537 O ILE A 35 -2.990 -6.143 12.777 1.00 20.30 O ATOM 538 CB ILE A 35 -4.585 -3.372 13.760 1.00 11.01 C ATOM 539 CG1 ILE A 35 -4.418 -2.488 15.019 1.00 63.14 C ATOM 540 CG2 ILE A 35 -5.429 -4.607 14.090 1.00 13.14 C ATOM 541 CD1 ILE A 35 -3.716 -1.166 14.778 1.00 43.23 C ATOM 0 H ILE A 35 -3.159 -1.841 12.342 1.00 13.25 H new ATOM 0 HA ILE A 35 -2.530 -3.983 14.006 1.00 72.33 H new ATOM 0 HB ILE A 35 -5.106 -2.792 12.998 1.00 11.01 H new ATOM 0 HG12 ILE A 35 -5.404 -2.289 15.439 1.00 63.14 H new ATOM 0 HG13 ILE A 35 -3.859 -3.049 15.768 1.00 63.14 H new ATOM 0 HG21 ILE A 35 -6.389 -4.293 14.499 1.00 13.14 H new ATOM 0 HG22 ILE A 35 -5.594 -5.188 13.183 1.00 13.14 H new ATOM 0 HG23 ILE A 35 -4.905 -5.220 14.823 1.00 13.14 H new ATOM 0 HD11 ILE A 35 -3.645 -0.616 15.716 1.00 43.23 H new ATOM 0 HD12 ILE A 35 -2.715 -1.351 14.389 1.00 43.23 H new ATOM 0 HD13 ILE A 35 -4.283 -0.579 14.055 1.00 43.23 H new ATOM 553 N SER A 36 -3.793 -4.909 11.075 1.00 43.02 N ATOM 554 CA SER A 36 -3.914 -6.053 10.154 1.00 63.34 C ATOM 555 C SER A 36 -2.556 -6.734 9.933 1.00 12.34 C ATOM 556 O SER A 36 -2.467 -7.960 9.845 1.00 31.30 O ATOM 557 CB SER A 36 -4.495 -5.610 8.803 1.00 30.44 C ATOM 558 OG SER A 36 -4.692 -6.720 7.937 1.00 70.40 O ATOM 0 H SER A 36 -4.089 -4.017 10.679 1.00 43.02 H new ATOM 0 HA SER A 36 -4.594 -6.770 10.614 1.00 63.34 H new ATOM 0 HB2 SER A 36 -5.444 -5.098 8.963 1.00 30.44 H new ATOM 0 HB3 SER A 36 -3.822 -4.894 8.332 1.00 30.44 H new ATOM 0 HG SER A 36 -5.064 -6.409 7.085 1.00 70.40 H new ATOM 564 N SER A 37 -1.498 -5.929 9.846 1.00 55.12 N ATOM 565 CA SER A 37 -0.134 -6.461 9.735 1.00 23.01 C ATOM 566 C SER A 37 0.262 -7.203 11.017 1.00 1.20 C ATOM 567 O SER A 37 0.795 -8.308 10.968 1.00 2.21 O ATOM 568 CB SER A 37 0.871 -5.333 9.456 1.00 44.21 C ATOM 569 OG SER A 37 0.571 -4.657 8.244 1.00 74.20 O ATOM 0 H SER A 37 -1.555 -4.911 9.850 1.00 55.12 H new ATOM 0 HA SER A 37 -0.115 -7.162 8.900 1.00 23.01 H new ATOM 0 HB2 SER A 37 0.861 -4.622 10.282 1.00 44.21 H new ATOM 0 HB3 SER A 37 1.878 -5.746 9.404 1.00 44.21 H new ATOM 0 HG SER A 37 -0.225 -4.099 8.369 1.00 74.20 H new ATOM 575 N LEU A 38 -0.034 -6.589 12.164 1.00 34.55 N ATOM 576 CA LEU A 38 0.285 -7.163 13.480 1.00 24.10 C ATOM 577 C LEU A 38 -0.492 -8.461 13.755 1.00 22.51 C ATOM 578 O LEU A 38 0.009 -9.356 14.437 1.00 62.50 O ATOM 579 CB LEU A 38 0.010 -6.131 14.590 1.00 64.44 C ATOM 580 CG LEU A 38 1.156 -5.145 14.885 1.00 0.11 C ATOM 581 CD1 LEU A 38 1.623 -4.425 13.622 1.00 24.11 C ATOM 582 CD2 LEU A 38 0.731 -4.139 15.951 1.00 21.52 C ATOM 0 H LEU A 38 -0.500 -5.683 12.211 1.00 34.55 H new ATOM 0 HA LEU A 38 1.345 -7.417 13.475 1.00 24.10 H new ATOM 0 HB2 LEU A 38 -0.876 -5.558 14.316 1.00 64.44 H new ATOM 0 HB3 LEU A 38 -0.228 -6.668 15.508 1.00 64.44 H new ATOM 0 HG LEU A 38 2.000 -5.723 15.262 1.00 0.11 H new ATOM 0 HD11 LEU A 38 2.432 -3.739 13.872 1.00 24.11 H new ATOM 0 HD12 LEU A 38 1.979 -5.157 12.897 1.00 24.11 H new ATOM 0 HD13 LEU A 38 0.792 -3.865 13.194 1.00 24.11 H new ATOM 0 HD21 LEU A 38 1.552 -3.449 16.148 1.00 21.52 H new ATOM 0 HD22 LEU A 38 -0.136 -3.580 15.599 1.00 21.52 H new ATOM 0 HD23 LEU A 38 0.473 -4.668 16.868 1.00 21.52 H new ATOM 594 N GLU A 39 -1.713 -8.563 13.225 1.00 75.42 N ATOM 595 CA GLU A 39 -2.521 -9.782 13.379 1.00 2.24 C ATOM 596 C GLU A 39 -1.800 -11.002 12.782 1.00 23.42 C ATOM 597 O GLU A 39 -1.868 -12.106 13.327 1.00 72.41 O ATOM 598 CB GLU A 39 -3.901 -9.619 12.715 1.00 53.32 C ATOM 599 CG GLU A 39 -4.788 -8.555 13.360 1.00 24.52 C ATOM 600 CD GLU A 39 -6.155 -8.429 12.693 1.00 42.01 C ATOM 601 OE1 GLU A 39 -7.165 -8.850 13.295 1.00 21.32 O ATOM 602 OE2 GLU A 39 -6.226 -7.905 11.560 1.00 11.44 O1- ATOM 0 H GLU A 39 -2.165 -7.823 12.688 1.00 75.42 H new ATOM 0 HA GLU A 39 -2.662 -9.945 14.447 1.00 2.24 H new ATOM 0 HB2 GLU A 39 -3.758 -9.368 11.664 1.00 53.32 H new ATOM 0 HB3 GLU A 39 -4.421 -10.576 12.746 1.00 53.32 H new ATOM 0 HG2 GLU A 39 -4.926 -8.796 14.414 1.00 24.52 H new ATOM 0 HG3 GLU A 39 -4.279 -7.592 13.317 1.00 24.52 H new ATOM 609 N LYS A 40 -1.119 -10.800 11.652 1.00 50.53 N ATOM 610 CA LYS A 40 -0.384 -11.886 10.986 1.00 74.23 C ATOM 611 C LYS A 40 1.125 -11.864 11.311 1.00 54.22 C ATOM 612 O LYS A 40 1.806 -12.888 11.194 1.00 50.54 O ATOM 613 CB LYS A 40 -0.595 -11.790 9.469 1.00 60.02 C ATOM 614 CG LYS A 40 -2.062 -11.889 9.055 1.00 52.32 C ATOM 615 CD LYS A 40 -2.238 -11.763 7.544 1.00 21.12 C ATOM 616 CE LYS A 40 -3.694 -11.943 7.122 1.00 21.11 C ATOM 617 NZ LYS A 40 -4.583 -10.914 7.722 1.00 32.34 N1+ ATOM 0 H LYS A 40 -1.059 -9.899 11.178 1.00 50.53 H new ATOM 0 HA LYS A 40 -0.778 -12.830 11.363 1.00 74.23 H new ATOM 0 HB2 LYS A 40 -0.187 -10.845 9.112 1.00 60.02 H new ATOM 0 HB3 LYS A 40 -0.032 -12.585 8.980 1.00 60.02 H new ATOM 0 HG2 LYS A 40 -2.470 -12.843 9.389 1.00 52.32 H new ATOM 0 HG3 LYS A 40 -2.633 -11.106 9.553 1.00 52.32 H new ATOM 0 HD2 LYS A 40 -1.884 -10.785 7.218 1.00 21.12 H new ATOM 0 HD3 LYS A 40 -1.620 -12.509 7.043 1.00 21.12 H new ATOM 0 HE2 LYS A 40 -3.765 -11.893 6.035 1.00 21.11 H new ATOM 0 HE3 LYS A 40 -4.037 -12.934 7.418 1.00 21.11 H new ATOM 0 HZ1 LYS A 40 -5.533 -10.990 7.305 1.00 32.34 H new ATOM 0 HZ2 LYS A 40 -4.643 -11.063 8.749 1.00 32.34 H new ATOM 0 HZ3 LYS A 40 -4.196 -9.968 7.532 1.00 32.34 H new ATOM 631 N TYR A 41 1.639 -10.707 11.732 1.00 11.44 N ATOM 632 CA TYR A 41 3.073 -10.542 12.029 1.00 4.04 C ATOM 633 C TYR A 41 3.296 -9.724 13.317 1.00 0.31 C ATOM 634 O TYR A 41 3.236 -8.493 13.298 1.00 25.01 O ATOM 635 CB TYR A 41 3.794 -9.848 10.858 1.00 61.02 C ATOM 636 CG TYR A 41 3.752 -10.611 9.545 1.00 55.23 C ATOM 637 CD1 TYR A 41 4.533 -11.747 9.351 1.00 0.22 C ATOM 638 CD2 TYR A 41 2.946 -10.183 8.493 1.00 61.53 C ATOM 639 CE1 TYR A 41 4.511 -12.432 8.150 1.00 63.12 C ATOM 640 CE2 TYR A 41 2.917 -10.866 7.292 1.00 23.12 C ATOM 641 CZ TYR A 41 3.702 -11.988 7.126 1.00 53.35 C ATOM 642 OH TYR A 41 3.685 -12.663 5.925 1.00 23.13 O ATOM 0 H TYR A 41 1.085 -9.863 11.877 1.00 11.44 H new ATOM 0 HA TYR A 41 3.487 -11.540 12.174 1.00 4.04 H new ATOM 0 HB2 TYR A 41 3.348 -8.865 10.706 1.00 61.02 H new ATOM 0 HB3 TYR A 41 4.836 -9.686 11.135 1.00 61.02 H new ATOM 0 HD1 TYR A 41 5.166 -12.099 10.152 1.00 0.22 H new ATOM 0 HD2 TYR A 41 2.333 -9.302 8.618 1.00 61.53 H new ATOM 0 HE1 TYR A 41 5.125 -13.310 8.015 1.00 63.12 H new ATOM 0 HE2 TYR A 41 2.283 -10.523 6.488 1.00 23.12 H new ATOM 0 HH TYR A 41 3.062 -12.222 5.311 1.00 23.13 H new ATOM 652 N PRO A 42 3.546 -10.392 14.462 1.00 33.35 N ATOM 653 CA PRO A 42 3.840 -9.707 15.734 1.00 34.34 C ATOM 654 C PRO A 42 5.255 -9.088 15.769 1.00 63.11 C ATOM 655 O PRO A 42 6.211 -9.663 15.243 1.00 74.13 O ATOM 656 CB PRO A 42 3.708 -10.827 16.793 1.00 40.13 C ATOM 657 CG PRO A 42 3.131 -12.007 16.068 1.00 21.45 C ATOM 658 CD PRO A 42 3.538 -11.851 14.628 1.00 31.43 C ATOM 0 HA PRO A 42 3.166 -8.866 15.900 1.00 34.34 H new ATOM 0 HB2 PRO A 42 4.677 -11.071 17.228 1.00 40.13 H new ATOM 0 HB3 PRO A 42 3.060 -10.516 17.613 1.00 40.13 H new ATOM 0 HG2 PRO A 42 3.510 -12.942 16.481 1.00 21.45 H new ATOM 0 HG3 PRO A 42 2.046 -12.032 16.166 1.00 21.45 H new ATOM 0 HD2 PRO A 42 4.517 -12.288 14.432 1.00 31.43 H new ATOM 0 HD3 PRO A 42 2.833 -12.334 13.951 1.00 31.43 H new ATOM 666 N ILE A 43 5.380 -7.912 16.392 1.00 55.12 N ATOM 667 CA ILE A 43 6.681 -7.241 16.540 1.00 12.11 C ATOM 668 C ILE A 43 7.639 -8.068 17.419 1.00 5.24 C ATOM 669 O ILE A 43 7.210 -8.764 18.338 1.00 30.45 O ATOM 670 CB ILE A 43 6.516 -5.806 17.132 1.00 63.42 C ATOM 671 CG1 ILE A 43 5.958 -4.833 16.076 1.00 40.40 C ATOM 672 CG2 ILE A 43 7.834 -5.273 17.694 1.00 2.13 C ATOM 673 CD1 ILE A 43 4.547 -5.142 15.630 1.00 73.41 C ATOM 0 H ILE A 43 4.598 -7.403 16.803 1.00 55.12 H new ATOM 0 HA ILE A 43 7.113 -7.155 15.543 1.00 12.11 H new ATOM 0 HB ILE A 43 5.803 -5.878 17.953 1.00 63.42 H new ATOM 0 HG12 ILE A 43 5.985 -3.821 16.481 1.00 40.40 H new ATOM 0 HG13 ILE A 43 6.613 -4.846 15.205 1.00 40.40 H new ATOM 0 HG21 ILE A 43 7.679 -4.272 18.097 1.00 2.13 H new ATOM 0 HG22 ILE A 43 8.185 -5.933 18.487 1.00 2.13 H new ATOM 0 HG23 ILE A 43 8.579 -5.233 16.899 1.00 2.13 H new ATOM 0 HD11 ILE A 43 4.232 -4.410 14.887 1.00 73.41 H new ATOM 0 HD12 ILE A 43 4.514 -6.140 15.193 1.00 73.41 H new ATOM 0 HD13 ILE A 43 3.877 -5.099 16.488 1.00 73.41 H new ATOM 685 N THR A 44 8.933 -7.987 17.121 1.00 53.13 N ATOM 686 CA THR A 44 9.955 -8.732 17.866 1.00 24.23 C ATOM 687 C THR A 44 10.293 -8.066 19.211 1.00 62.13 C ATOM 688 O THR A 44 10.064 -6.871 19.406 1.00 34.32 O ATOM 689 CB THR A 44 11.247 -8.872 17.038 1.00 32.40 C ATOM 690 OG1 THR A 44 11.725 -7.573 16.658 1.00 71.33 O ATOM 691 CG2 THR A 44 11.012 -9.715 15.789 1.00 13.43 C ATOM 0 H THR A 44 9.304 -7.411 16.366 1.00 53.13 H new ATOM 0 HA THR A 44 9.535 -9.718 18.064 1.00 24.23 H new ATOM 0 HB THR A 44 11.993 -9.373 17.656 1.00 32.40 H new ATOM 0 HG1 THR A 44 12.439 -7.669 15.993 1.00 71.33 H new ATOM 0 HG21 THR A 44 11.941 -9.796 15.225 1.00 13.43 H new ATOM 0 HG22 THR A 44 10.676 -10.710 16.080 1.00 13.43 H new ATOM 0 HG23 THR A 44 10.251 -9.242 15.169 1.00 13.43 H new ATOM 699 N LYS A 45 10.868 -8.848 20.125 1.00 4.12 N ATOM 700 CA LYS A 45 11.130 -8.391 21.498 1.00 41.34 C ATOM 701 C LYS A 45 12.177 -7.259 21.579 1.00 52.12 C ATOM 702 O LYS A 45 12.099 -6.403 22.459 1.00 34.04 O ATOM 703 CB LYS A 45 11.528 -9.590 22.389 1.00 22.32 C ATOM 704 CG LYS A 45 12.574 -10.544 21.789 1.00 34.55 C ATOM 705 CD LYS A 45 13.992 -9.975 21.827 1.00 20.30 C ATOM 706 CE LYS A 45 15.022 -10.960 21.277 1.00 75.41 C ATOM 707 NZ LYS A 45 14.771 -11.301 19.850 1.00 72.13 N1+ ATOM 0 H LYS A 45 11.164 -9.807 19.942 1.00 4.12 H new ATOM 0 HA LYS A 45 10.202 -7.958 21.872 1.00 41.34 H new ATOM 0 HB2 LYS A 45 11.912 -9.206 23.334 1.00 22.32 H new ATOM 0 HB3 LYS A 45 10.630 -10.163 22.619 1.00 22.32 H new ATOM 0 HG2 LYS A 45 12.552 -11.488 22.334 1.00 34.55 H new ATOM 0 HG3 LYS A 45 12.305 -10.766 20.756 1.00 34.55 H new ATOM 0 HD2 LYS A 45 14.028 -9.053 21.247 1.00 20.30 H new ATOM 0 HD3 LYS A 45 14.251 -9.716 22.854 1.00 20.30 H new ATOM 0 HE2 LYS A 45 16.020 -10.532 21.376 1.00 75.41 H new ATOM 0 HE3 LYS A 45 15.005 -11.871 21.875 1.00 75.41 H new ATOM 0 HZ1 LYS A 45 15.632 -11.711 19.435 1.00 72.13 H new ATOM 0 HZ2 LYS A 45 13.995 -11.990 19.789 1.00 72.13 H new ATOM 0 HZ3 LYS A 45 14.511 -10.440 19.328 1.00 72.13 H new ATOM 721 N GLU A 46 13.145 -7.254 20.664 1.00 4.12 N ATOM 722 CA GLU A 46 14.210 -6.235 20.659 1.00 43.52 C ATOM 723 C GLU A 46 13.671 -4.833 20.317 1.00 11.23 C ATOM 724 O GLU A 46 14.196 -3.818 20.787 1.00 2.54 O ATOM 725 CB GLU A 46 15.351 -6.615 19.694 1.00 21.44 C ATOM 726 CG GLU A 46 14.948 -6.716 18.222 1.00 13.44 C ATOM 727 CD GLU A 46 14.511 -8.111 17.795 1.00 61.31 C ATOM 728 OE1 GLU A 46 14.118 -8.919 18.663 1.00 53.02 O ATOM 729 OE2 GLU A 46 14.545 -8.402 16.580 1.00 23.24 O1- ATOM 0 H GLU A 46 13.220 -7.941 19.914 1.00 4.12 H new ATOM 0 HA GLU A 46 14.609 -6.202 21.673 1.00 43.52 H new ATOM 0 HB2 GLU A 46 16.146 -5.876 19.787 1.00 21.44 H new ATOM 0 HB3 GLU A 46 15.768 -7.572 20.007 1.00 21.44 H new ATOM 0 HG2 GLU A 46 14.134 -6.017 18.030 1.00 13.44 H new ATOM 0 HG3 GLU A 46 15.789 -6.404 17.603 1.00 13.44 H new ATOM 736 N ALA A 47 12.635 -4.785 19.487 1.00 54.14 N ATOM 737 CA ALA A 47 12.078 -3.521 18.995 1.00 63.40 C ATOM 738 C ALA A 47 11.592 -2.584 20.123 1.00 55.42 C ATOM 739 O ALA A 47 11.673 -1.363 19.990 1.00 75.44 O ATOM 740 CB ALA A 47 10.944 -3.798 18.020 1.00 4.00 C ATOM 0 H ALA A 47 12.156 -5.614 19.135 1.00 54.14 H new ATOM 0 HA ALA A 47 12.890 -2.999 18.488 1.00 63.40 H new ATOM 0 HB1 ALA A 47 10.536 -2.854 17.659 1.00 4.00 H new ATOM 0 HB2 ALA A 47 11.322 -4.376 17.177 1.00 4.00 H new ATOM 0 HB3 ALA A 47 10.160 -4.363 18.525 1.00 4.00 H new ATOM 746 N LEU A 48 11.083 -3.141 21.225 1.00 13.22 N ATOM 747 CA LEU A 48 10.504 -2.314 22.300 1.00 32.44 C ATOM 748 C LEU A 48 11.525 -1.321 22.890 1.00 4.24 C ATOM 749 O LEU A 48 11.213 -0.148 23.097 1.00 54.01 O ATOM 750 CB LEU A 48 9.936 -3.194 23.428 1.00 21.44 C ATOM 751 CG LEU A 48 8.638 -3.961 23.100 1.00 4.15 C ATOM 752 CD1 LEU A 48 8.890 -5.083 22.092 1.00 54.21 C ATOM 753 CD2 LEU A 48 8.007 -4.507 24.380 1.00 60.21 C ATOM 0 H LEU A 48 11.057 -4.145 21.400 1.00 13.22 H new ATOM 0 HA LEU A 48 9.697 -1.739 21.845 1.00 32.44 H new ATOM 0 HB2 LEU A 48 10.699 -3.917 23.716 1.00 21.44 H new ATOM 0 HB3 LEU A 48 9.751 -2.562 24.297 1.00 21.44 H new ATOM 0 HG LEU A 48 7.940 -3.262 22.640 1.00 4.15 H new ATOM 0 HD11 LEU A 48 7.954 -5.602 21.884 1.00 54.21 H new ATOM 0 HD12 LEU A 48 9.284 -4.660 21.168 1.00 54.21 H new ATOM 0 HD13 LEU A 48 9.612 -5.788 22.505 1.00 54.21 H new ATOM 0 HD21 LEU A 48 7.092 -5.046 24.133 1.00 60.21 H new ATOM 0 HD22 LEU A 48 8.706 -5.185 24.870 1.00 60.21 H new ATOM 0 HD23 LEU A 48 7.772 -3.681 25.051 1.00 60.21 H new ATOM 765 N GLU A 49 12.728 -1.795 23.191 1.00 74.12 N ATOM 766 CA GLU A 49 13.815 -0.920 23.655 1.00 50.45 C ATOM 767 C GLU A 49 14.413 -0.080 22.510 1.00 72.31 C ATOM 768 O GLU A 49 14.704 1.106 22.677 1.00 3.32 O ATOM 769 CB GLU A 49 14.915 -1.748 24.338 1.00 24.55 C ATOM 770 CG GLU A 49 14.470 -2.428 25.632 1.00 71.24 C ATOM 771 CD GLU A 49 14.156 -1.436 26.744 1.00 73.30 C ATOM 772 OE1 GLU A 49 12.993 -0.989 26.849 1.00 72.32 O ATOM 773 OE2 GLU A 49 15.078 -1.096 27.520 1.00 40.54 O1- ATOM 0 H GLU A 49 12.983 -2.780 23.124 1.00 74.12 H new ATOM 0 HA GLU A 49 13.386 -0.227 24.378 1.00 50.45 H new ATOM 0 HB2 GLU A 49 15.267 -2.510 23.642 1.00 24.55 H new ATOM 0 HB3 GLU A 49 15.763 -1.098 24.554 1.00 24.55 H new ATOM 0 HG2 GLU A 49 13.587 -3.035 25.433 1.00 71.24 H new ATOM 0 HG3 GLU A 49 15.254 -3.107 25.968 1.00 71.24 H new ATOM 780 N GLU A 50 14.596 -0.706 21.346 1.00 42.53 N ATOM 781 CA GLU A 50 15.309 -0.074 20.224 1.00 64.13 C ATOM 782 C GLU A 50 14.467 0.996 19.503 1.00 70.00 C ATOM 783 O GLU A 50 14.879 2.150 19.384 1.00 12.52 O ATOM 784 CB GLU A 50 15.723 -1.156 19.219 1.00 61.01 C ATOM 785 CG GLU A 50 16.519 -0.635 18.028 1.00 52.23 C ATOM 786 CD GLU A 50 16.806 -1.723 17.007 1.00 41.52 C ATOM 787 OE1 GLU A 50 17.682 -2.573 17.264 1.00 62.44 O ATOM 788 OE2 GLU A 50 16.145 -1.741 15.944 1.00 2.23 O1- ATOM 0 H GLU A 50 14.262 -1.650 21.151 1.00 42.53 H new ATOM 0 HA GLU A 50 16.182 0.431 20.638 1.00 64.13 H new ATOM 0 HB2 GLU A 50 16.318 -1.908 19.737 1.00 61.01 H new ATOM 0 HB3 GLU A 50 14.827 -1.656 18.851 1.00 61.01 H new ATOM 0 HG2 GLU A 50 15.966 0.173 17.549 1.00 52.23 H new ATOM 0 HG3 GLU A 50 17.460 -0.212 18.380 1.00 52.23 H new ATOM 795 N THR A 51 13.283 0.608 19.040 1.00 53.22 N ATOM 796 CA THR A 51 12.412 1.504 18.261 1.00 53.30 C ATOM 797 C THR A 51 11.197 1.979 19.071 1.00 51.13 C ATOM 798 O THR A 51 10.400 2.789 18.596 1.00 30.54 O ATOM 799 CB THR A 51 11.927 0.818 16.961 1.00 55.25 C ATOM 800 OG1 THR A 51 11.336 -0.454 17.266 1.00 41.42 O ATOM 801 CG2 THR A 51 13.080 0.624 15.979 1.00 71.33 C ATOM 0 H THR A 51 12.896 -0.324 19.188 1.00 53.22 H new ATOM 0 HA THR A 51 13.015 2.376 18.007 1.00 53.30 H new ATOM 0 HB THR A 51 11.182 1.464 16.497 1.00 55.25 H new ATOM 0 HG1 THR A 51 11.363 -0.603 18.234 1.00 41.42 H new ATOM 0 HG21 THR A 51 12.710 0.140 15.075 1.00 71.33 H new ATOM 0 HG22 THR A 51 13.507 1.594 15.723 1.00 71.33 H new ATOM 0 HG23 THR A 51 13.847 -0.000 16.437 1.00 71.33 H new ATOM 809 N ARG A 52 11.056 1.454 20.291 1.00 5.31 N ATOM 810 CA ARG A 52 10.037 1.921 21.248 1.00 2.01 C ATOM 811 C ARG A 52 8.590 1.682 20.772 1.00 54.31 C ATOM 812 O ARG A 52 7.707 2.518 20.978 1.00 0.10 O ATOM 813 CB ARG A 52 10.269 3.402 21.595 1.00 60.32 C ATOM 814 CG ARG A 52 11.576 3.644 22.345 1.00 31.52 C ATOM 815 CD ARG A 52 11.731 5.096 22.781 1.00 15.03 C ATOM 816 NE ARG A 52 11.810 6.014 21.647 1.00 12.42 N ATOM 817 CZ ARG A 52 12.457 7.147 21.666 1.00 55.41 C ATOM 818 NH1 ARG A 52 13.139 7.498 22.710 1.00 51.15 N1+ ATOM 819 NH2 ARG A 52 12.449 7.914 20.627 1.00 74.53 N ATOM 0 H ARG A 52 11.640 0.697 20.646 1.00 5.31 H new ATOM 0 HA ARG A 52 10.155 1.318 22.148 1.00 2.01 H new ATOM 0 HB2 ARG A 52 10.271 3.988 20.676 1.00 60.32 H new ATOM 0 HB3 ARG A 52 9.437 3.761 22.201 1.00 60.32 H new ATOM 0 HG2 ARG A 52 11.615 2.997 23.222 1.00 31.52 H new ATOM 0 HG3 ARG A 52 12.415 3.367 21.707 1.00 31.52 H new ATOM 0 HD2 ARG A 52 10.887 5.375 23.412 1.00 15.03 H new ATOM 0 HD3 ARG A 52 12.630 5.196 23.389 1.00 15.03 H new ATOM 0 HE ARG A 52 11.329 5.753 20.786 1.00 12.42 H new ATOM 0 HH11 ARG A 52 13.173 6.887 23.526 1.00 51.15 H new ATOM 0 HH12 ARG A 52 13.642 8.385 22.716 1.00 51.15 H new ATOM 0 HH21 ARG A 52 11.937 7.634 19.791 1.00 74.53 H new ATOM 0 HH22 ARG A 52 12.955 8.799 20.643 1.00 74.53 H new ATOM 833 N LEU A 53 8.342 0.518 20.169 1.00 24.14 N ATOM 834 CA LEU A 53 6.967 0.084 19.856 1.00 44.31 C ATOM 835 C LEU A 53 6.145 -0.176 21.139 1.00 44.42 C ATOM 836 O LEU A 53 4.947 -0.445 21.074 1.00 60.32 O ATOM 837 CB LEU A 53 6.980 -1.178 18.969 1.00 13.22 C ATOM 838 CG LEU A 53 7.066 -0.929 17.449 1.00 73.02 C ATOM 839 CD1 LEU A 53 5.824 -0.191 16.951 1.00 24.43 C ATOM 840 CD2 LEU A 53 8.334 -0.156 17.090 1.00 41.33 C ATOM 0 H LEU A 53 9.066 -0.142 19.886 1.00 24.14 H new ATOM 0 HA LEU A 53 6.488 0.896 19.308 1.00 44.31 H new ATOM 0 HB2 LEU A 53 7.826 -1.798 19.265 1.00 13.22 H new ATOM 0 HB3 LEU A 53 6.076 -1.752 19.174 1.00 13.22 H new ATOM 0 HG LEU A 53 7.111 -1.898 16.952 1.00 73.02 H new ATOM 0 HD11 LEU A 53 5.905 -0.026 15.877 1.00 24.43 H new ATOM 0 HD12 LEU A 53 4.937 -0.789 17.160 1.00 24.43 H new ATOM 0 HD13 LEU A 53 5.742 0.769 17.461 1.00 24.43 H new ATOM 0 HD21 LEU A 53 8.369 0.006 16.013 1.00 41.33 H new ATOM 0 HD22 LEU A 53 8.330 0.807 17.601 1.00 41.33 H new ATOM 0 HD23 LEU A 53 9.209 -0.728 17.400 1.00 41.33 H new ATOM 852 N GLY A 54 6.799 -0.091 22.300 1.00 40.55 N ATOM 853 CA GLY A 54 6.112 -0.266 23.581 1.00 54.14 C ATOM 854 C GLY A 54 4.986 0.746 23.802 1.00 61.21 C ATOM 855 O GLY A 54 3.982 0.439 24.446 1.00 75.12 O ATOM 0 H GLY A 54 7.798 0.097 22.379 1.00 40.55 H new ATOM 0 HA2 GLY A 54 5.701 -1.274 23.631 1.00 54.14 H new ATOM 0 HA3 GLY A 54 6.837 -0.177 24.390 1.00 54.14 H new ATOM 859 N LYS A 55 5.158 1.960 23.274 1.00 71.53 N ATOM 860 CA LYS A 55 4.110 2.994 23.325 1.00 53.32 C ATOM 861 C LYS A 55 2.810 2.494 22.667 1.00 12.34 C ATOM 862 O LYS A 55 1.707 2.819 23.110 1.00 51.21 O ATOM 863 CB LYS A 55 4.594 4.266 22.609 1.00 63.22 C ATOM 864 CG LYS A 55 3.568 5.400 22.569 1.00 71.10 C ATOM 865 CD LYS A 55 3.295 5.979 23.957 1.00 10.42 C ATOM 866 CE LYS A 55 2.322 7.156 23.900 1.00 24.14 C ATOM 867 NZ LYS A 55 2.175 7.822 25.222 1.00 3.24 N1+ ATOM 0 H LYS A 55 6.014 2.256 22.804 1.00 71.53 H new ATOM 0 HA LYS A 55 3.904 3.219 24.372 1.00 53.32 H new ATOM 0 HB2 LYS A 55 5.496 4.626 23.104 1.00 63.22 H new ATOM 0 HB3 LYS A 55 4.873 4.009 21.587 1.00 63.22 H new ATOM 0 HG2 LYS A 55 3.928 6.191 21.911 1.00 71.10 H new ATOM 0 HG3 LYS A 55 2.636 5.030 22.142 1.00 71.10 H new ATOM 0 HD2 LYS A 55 2.886 5.201 24.602 1.00 10.42 H new ATOM 0 HD3 LYS A 55 4.233 6.305 24.406 1.00 10.42 H new ATOM 0 HE2 LYS A 55 2.673 7.881 23.166 1.00 24.14 H new ATOM 0 HE3 LYS A 55 1.348 6.805 23.561 1.00 24.14 H new ATOM 0 HZ1 LYS A 55 1.507 8.614 25.139 1.00 3.24 H new ATOM 0 HZ2 LYS A 55 1.816 7.137 25.918 1.00 3.24 H new ATOM 0 HZ3 LYS A 55 3.100 8.180 25.535 1.00 3.24 H new ATOM 881 N LEU A 56 2.957 1.677 21.623 1.00 13.31 N ATOM 882 CA LEU A 56 1.813 1.127 20.890 1.00 61.05 C ATOM 883 C LEU A 56 0.857 0.361 21.822 1.00 64.31 C ATOM 884 O LEU A 56 -0.350 0.360 21.609 1.00 0.14 O ATOM 885 CB LEU A 56 2.300 0.218 19.752 1.00 35.53 C ATOM 886 CG LEU A 56 1.203 -0.353 18.837 1.00 1.51 C ATOM 887 CD1 LEU A 56 0.408 0.770 18.172 1.00 73.41 C ATOM 888 CD2 LEU A 56 1.812 -1.279 17.787 1.00 42.12 C ATOM 0 H LEU A 56 3.864 1.379 21.263 1.00 13.31 H new ATOM 0 HA LEU A 56 1.256 1.962 20.464 1.00 61.05 H new ATOM 0 HB2 LEU A 56 3.003 0.781 19.138 1.00 35.53 H new ATOM 0 HB3 LEU A 56 2.853 -0.614 20.188 1.00 35.53 H new ATOM 0 HG LEU A 56 0.515 -0.934 19.451 1.00 1.51 H new ATOM 0 HD11 LEU A 56 -0.361 0.341 17.530 1.00 73.41 H new ATOM 0 HD12 LEU A 56 -0.061 1.387 18.938 1.00 73.41 H new ATOM 0 HD13 LEU A 56 1.079 1.385 17.572 1.00 73.41 H new ATOM 0 HD21 LEU A 56 1.022 -1.674 17.148 1.00 42.12 H new ATOM 0 HD22 LEU A 56 2.525 -0.721 17.180 1.00 42.12 H new ATOM 0 HD23 LEU A 56 2.324 -2.104 18.282 1.00 42.12 H new ATOM 900 N ILE A 57 1.404 -0.276 22.858 1.00 65.21 N ATOM 901 CA ILE A 57 0.587 -1.016 23.835 1.00 12.34 C ATOM 902 C ILE A 57 -0.451 -0.095 24.504 1.00 43.21 C ATOM 903 O ILE A 57 -1.577 -0.508 24.796 1.00 5.41 O ATOM 904 CB ILE A 57 1.484 -1.665 24.925 1.00 13.51 C ATOM 905 CG1 ILE A 57 2.474 -2.653 24.281 1.00 33.34 C ATOM 906 CG2 ILE A 57 0.637 -2.363 25.992 1.00 45.33 C ATOM 907 CD1 ILE A 57 3.424 -3.307 25.266 1.00 12.13 C ATOM 0 H ILE A 57 2.406 -0.298 23.047 1.00 65.21 H new ATOM 0 HA ILE A 57 0.060 -1.801 23.292 1.00 12.34 H new ATOM 0 HB ILE A 57 2.051 -0.874 25.417 1.00 13.51 H new ATOM 0 HG12 ILE A 57 1.911 -3.430 23.765 1.00 33.34 H new ATOM 0 HG13 ILE A 57 3.057 -2.126 23.525 1.00 33.34 H new ATOM 0 HG21 ILE A 57 1.291 -2.808 26.742 1.00 45.33 H new ATOM 0 HG22 ILE A 57 -0.019 -1.635 26.469 1.00 45.33 H new ATOM 0 HG23 ILE A 57 0.035 -3.143 25.526 1.00 45.33 H new ATOM 0 HD11 ILE A 57 4.088 -3.988 24.734 1.00 12.13 H new ATOM 0 HD12 ILE A 57 4.016 -2.540 25.765 1.00 12.13 H new ATOM 0 HD13 ILE A 57 2.852 -3.864 26.008 1.00 12.13 H new ATOM 919 N ASN A 58 -0.063 1.156 24.734 1.00 4.23 N ATOM 920 CA ASN A 58 -0.966 2.173 25.284 1.00 41.43 C ATOM 921 C ASN A 58 -2.035 2.582 24.254 1.00 11.45 C ATOM 922 O ASN A 58 -3.234 2.607 24.548 1.00 25.20 O ATOM 923 CB ASN A 58 -0.146 3.402 25.713 1.00 24.52 C ATOM 924 CG ASN A 58 -1.009 4.592 26.096 1.00 31.54 C ATOM 925 OD1 ASN A 58 -1.414 4.738 27.244 1.00 32.44 O ATOM 926 ND2 ASN A 58 -1.284 5.461 25.142 1.00 74.12 N ATOM 0 H ASN A 58 0.880 1.496 24.547 1.00 4.23 H new ATOM 0 HA ASN A 58 -1.480 1.753 26.149 1.00 41.43 H new ATOM 0 HB2 ASN A 58 0.486 3.132 26.559 1.00 24.52 H new ATOM 0 HB3 ASN A 58 0.518 3.690 24.898 1.00 24.52 H new ATOM 0 HD21 ASN A 58 -1.849 6.284 25.350 1.00 74.12 H new ATOM 0 HD22 ASN A 58 -0.931 5.310 24.197 1.00 74.12 H new ATOM 933 N ASP A 59 -1.577 2.891 23.046 1.00 43.15 N ATOM 934 CA ASP A 59 -2.438 3.396 21.974 1.00 5.10 C ATOM 935 C ASP A 59 -3.427 2.343 21.434 1.00 53.50 C ATOM 936 O ASP A 59 -4.604 2.646 21.214 1.00 3.11 O ATOM 937 CB ASP A 59 -1.556 3.920 20.836 1.00 1.34 C ATOM 938 CG ASP A 59 -0.929 5.265 21.163 1.00 12.22 C ATOM 939 OD1 ASP A 59 -0.294 5.393 22.232 1.00 65.43 O ATOM 940 OD2 ASP A 59 -1.082 6.200 20.350 1.00 22.03 O1- ATOM 0 H ASP A 59 -0.597 2.799 22.778 1.00 43.15 H new ATOM 0 HA ASP A 59 -3.047 4.196 22.395 1.00 5.10 H new ATOM 0 HB2 ASP A 59 -0.768 3.196 20.627 1.00 1.34 H new ATOM 0 HB3 ASP A 59 -2.154 4.011 19.929 1.00 1.34 H new ATOM 945 N VAL A 60 -2.957 1.116 21.225 1.00 13.04 N ATOM 946 CA VAL A 60 -3.792 0.059 20.640 1.00 42.31 C ATOM 947 C VAL A 60 -4.949 -0.325 21.574 1.00 20.10 C ATOM 948 O VAL A 60 -6.053 -0.606 21.123 1.00 54.54 O ATOM 949 CB VAL A 60 -2.964 -1.210 20.285 1.00 73.32 C ATOM 950 CG1 VAL A 60 -2.429 -1.899 21.542 1.00 71.20 C ATOM 951 CG2 VAL A 60 -3.790 -2.182 19.438 1.00 0.53 C ATOM 0 H VAL A 60 -2.006 0.825 21.450 1.00 13.04 H new ATOM 0 HA VAL A 60 -4.203 0.469 19.718 1.00 42.31 H new ATOM 0 HB VAL A 60 -2.106 -0.889 19.695 1.00 73.32 H new ATOM 0 HG11 VAL A 60 -1.856 -2.781 21.257 1.00 71.20 H new ATOM 0 HG12 VAL A 60 -1.786 -1.209 22.089 1.00 71.20 H new ATOM 0 HG13 VAL A 60 -3.264 -2.198 22.176 1.00 71.20 H new ATOM 0 HG21 VAL A 60 -3.189 -3.061 19.203 1.00 0.53 H new ATOM 0 HG22 VAL A 60 -4.676 -2.487 19.994 1.00 0.53 H new ATOM 0 HG23 VAL A 60 -4.093 -1.692 18.513 1.00 0.53 H new ATOM 961 N ARG A 61 -4.691 -0.304 22.879 1.00 10.33 N ATOM 962 CA ARG A 61 -5.709 -0.632 23.881 1.00 45.12 C ATOM 963 C ARG A 61 -6.963 0.256 23.737 1.00 1.22 C ATOM 964 O ARG A 61 -8.092 -0.219 23.879 1.00 23.23 O ATOM 965 CB ARG A 61 -5.102 -0.494 25.286 1.00 70.35 C ATOM 966 CG ARG A 61 -6.105 -0.649 26.425 1.00 32.44 C ATOM 967 CD ARG A 61 -5.416 -0.626 27.785 1.00 55.12 C ATOM 968 NE ARG A 61 -6.372 -0.501 28.883 1.00 0.24 N ATOM 969 CZ ARG A 61 -6.124 -0.841 30.118 1.00 30.42 C ATOM 970 NH1 ARG A 61 -5.001 -1.399 30.441 1.00 52.14 N1+ ATOM 971 NH2 ARG A 61 -7.015 -0.633 31.030 1.00 5.23 N ATOM 0 H ARG A 61 -3.781 -0.062 23.272 1.00 10.33 H new ATOM 0 HA ARG A 61 -6.030 -1.662 23.722 1.00 45.12 H new ATOM 0 HB2 ARG A 61 -4.318 -1.242 25.405 1.00 70.35 H new ATOM 0 HB3 ARG A 61 -4.626 0.483 25.368 1.00 70.35 H new ATOM 0 HG2 ARG A 61 -6.840 0.154 26.375 1.00 32.44 H new ATOM 0 HG3 ARG A 61 -6.648 -1.587 26.307 1.00 32.44 H new ATOM 0 HD2 ARG A 61 -4.836 -1.540 27.912 1.00 55.12 H new ATOM 0 HD3 ARG A 61 -4.713 0.206 27.821 1.00 55.12 H new ATOM 0 HE ARG A 61 -7.295 -0.123 28.670 1.00 0.24 H new ATOM 0 HH11 ARG A 61 -4.296 -1.578 29.726 1.00 52.14 H new ATOM 0 HH12 ARG A 61 -4.821 -1.659 31.411 1.00 52.14 H new ATOM 0 HH21 ARG A 61 -7.907 -0.205 30.783 1.00 5.23 H new ATOM 0 HH22 ARG A 61 -6.826 -0.897 31.997 1.00 5.23 H new ATOM 985 N LYS A 62 -6.761 1.541 23.442 1.00 31.15 N ATOM 986 CA LYS A 62 -7.881 2.481 23.272 1.00 71.43 C ATOM 987 C LYS A 62 -8.410 2.493 21.825 1.00 73.03 C ATOM 988 O LYS A 62 -9.612 2.625 21.587 1.00 70.11 O ATOM 989 CB LYS A 62 -7.438 3.906 23.635 1.00 62.21 C ATOM 990 CG LYS A 62 -6.907 4.071 25.055 1.00 34.04 C ATOM 991 CD LYS A 62 -6.505 5.522 25.321 1.00 62.20 C ATOM 992 CE LYS A 62 -5.918 5.725 26.713 1.00 43.01 C ATOM 993 NZ LYS A 62 -5.550 7.146 26.945 1.00 55.42 N1+ ATOM 0 H LYS A 62 -5.839 1.958 23.315 1.00 31.15 H new ATOM 0 HA LYS A 62 -8.678 2.146 23.935 1.00 71.43 H new ATOM 0 HB2 LYS A 62 -6.664 4.220 22.935 1.00 62.21 H new ATOM 0 HB3 LYS A 62 -8.284 4.580 23.498 1.00 62.21 H new ATOM 0 HG2 LYS A 62 -7.669 3.763 25.771 1.00 34.04 H new ATOM 0 HG3 LYS A 62 -6.047 3.418 25.204 1.00 34.04 H new ATOM 0 HD2 LYS A 62 -5.775 5.835 24.574 1.00 62.20 H new ATOM 0 HD3 LYS A 62 -7.378 6.164 25.202 1.00 62.20 H new ATOM 0 HE2 LYS A 62 -6.641 5.408 27.464 1.00 43.01 H new ATOM 0 HE3 LYS A 62 -5.037 5.095 26.833 1.00 43.01 H new ATOM 0 HZ1 LYS A 62 -5.154 7.250 27.901 1.00 55.42 H new ATOM 0 HZ2 LYS A 62 -4.842 7.440 26.243 1.00 55.42 H new ATOM 0 HZ3 LYS A 62 -6.397 7.743 26.854 1.00 55.42 H new ATOM 1007 N LYS A 63 -7.500 2.351 20.865 1.00 64.33 N ATOM 1008 CA LYS A 63 -7.822 2.537 19.440 1.00 43.23 C ATOM 1009 C LYS A 63 -7.887 1.211 18.654 1.00 34.03 C ATOM 1010 O LYS A 63 -7.851 1.215 17.423 1.00 10.12 O ATOM 1011 CB LYS A 63 -6.791 3.489 18.814 1.00 2.25 C ATOM 1012 CG LYS A 63 -6.834 4.900 19.407 1.00 71.54 C ATOM 1013 CD LYS A 63 -5.719 5.798 18.867 1.00 54.42 C ATOM 1014 CE LYS A 63 -4.338 5.327 19.305 1.00 34.54 C ATOM 1015 NZ LYS A 63 -3.256 6.210 18.792 1.00 5.34 N1+ ATOM 0 H LYS A 63 -6.526 2.106 21.043 1.00 64.33 H new ATOM 0 HA LYS A 63 -8.821 2.969 19.380 1.00 43.23 H new ATOM 0 HB2 LYS A 63 -5.792 3.074 18.952 1.00 2.25 H new ATOM 0 HB3 LYS A 63 -6.966 3.548 17.740 1.00 2.25 H new ATOM 0 HG2 LYS A 63 -7.800 5.354 19.186 1.00 71.54 H new ATOM 0 HG3 LYS A 63 -6.752 4.837 20.492 1.00 71.54 H new ATOM 0 HD2 LYS A 63 -5.766 5.818 17.778 1.00 54.42 H new ATOM 0 HD3 LYS A 63 -5.879 6.820 19.211 1.00 54.42 H new ATOM 0 HE2 LYS A 63 -4.294 5.296 20.394 1.00 34.54 H new ATOM 0 HE3 LYS A 63 -4.173 4.309 18.951 1.00 34.54 H new ATOM 0 HZ1 LYS A 63 -2.615 6.463 19.571 1.00 5.34 H new ATOM 0 HZ2 LYS A 63 -2.722 5.711 18.053 1.00 5.34 H new ATOM 0 HZ3 LYS A 63 -3.674 7.075 18.393 1.00 5.34 H new ATOM 1029 N THR A 64 -7.971 0.085 19.365 1.00 33.45 N ATOM 1030 CA THR A 64 -8.064 -1.239 18.718 1.00 1.22 C ATOM 1031 C THR A 64 -9.357 -1.408 17.908 1.00 42.22 C ATOM 1032 O THR A 64 -10.366 -0.751 18.172 1.00 2.13 O ATOM 1033 CB THR A 64 -7.980 -2.398 19.745 1.00 13.01 C ATOM 1034 OG1 THR A 64 -8.129 -3.667 19.083 1.00 60.15 O ATOM 1035 CG2 THR A 64 -9.051 -2.261 20.827 1.00 4.11 C ATOM 0 H THR A 64 -7.977 0.056 20.385 1.00 33.45 H new ATOM 0 HA THR A 64 -7.209 -1.285 18.043 1.00 1.22 H new ATOM 0 HB THR A 64 -6.999 -2.347 20.218 1.00 13.01 H new ATOM 0 HG1 THR A 64 -8.072 -4.389 19.743 1.00 60.15 H new ATOM 0 HG21 THR A 64 -8.965 -3.089 21.531 1.00 4.11 H new ATOM 0 HG22 THR A 64 -8.914 -1.318 21.357 1.00 4.11 H new ATOM 0 HG23 THR A 64 -10.038 -2.278 20.366 1.00 4.11 H new ATOM 1043 N LYS A 65 -9.313 -2.312 16.928 1.00 3.14 N ATOM 1044 CA LYS A 65 -10.469 -2.605 16.071 1.00 13.12 C ATOM 1045 C LYS A 65 -11.693 -3.063 16.896 1.00 43.10 C ATOM 1046 O LYS A 65 -12.794 -2.533 16.739 1.00 71.13 O ATOM 1047 CB LYS A 65 -10.079 -3.672 15.025 1.00 72.51 C ATOM 1048 CG LYS A 65 -9.445 -4.932 15.624 1.00 73.22 C ATOM 1049 CD LYS A 65 -8.861 -5.859 14.555 1.00 21.52 C ATOM 1050 CE LYS A 65 -9.933 -6.450 13.644 1.00 42.51 C ATOM 1051 NZ LYS A 65 -9.349 -7.349 12.611 1.00 60.31 N1+ ATOM 0 H LYS A 65 -8.482 -2.860 16.705 1.00 3.14 H new ATOM 0 HA LYS A 65 -10.758 -1.687 15.558 1.00 13.12 H new ATOM 0 HB2 LYS A 65 -10.969 -3.957 14.464 1.00 72.51 H new ATOM 0 HB3 LYS A 65 -9.381 -3.230 14.314 1.00 72.51 H new ATOM 0 HG2 LYS A 65 -8.657 -4.643 16.319 1.00 73.22 H new ATOM 0 HG3 LYS A 65 -10.195 -5.474 16.200 1.00 73.22 H new ATOM 0 HD2 LYS A 65 -8.142 -5.305 13.952 1.00 21.52 H new ATOM 0 HD3 LYS A 65 -8.314 -6.668 15.040 1.00 21.52 H new ATOM 0 HE2 LYS A 65 -10.653 -7.006 14.244 1.00 42.51 H new ATOM 0 HE3 LYS A 65 -10.480 -5.643 13.156 1.00 42.51 H new ATOM 0 HZ1 LYS A 65 -10.099 -7.946 12.206 1.00 60.31 H new ATOM 0 HZ2 LYS A 65 -8.917 -6.777 11.858 1.00 60.31 H new ATOM 0 HZ3 LYS A 65 -8.623 -7.953 13.047 1.00 60.31 H new ATOM 1065 N ASN A 66 -11.500 -4.074 17.742 1.00 2.01 N ATOM 1066 CA ASN A 66 -12.550 -4.549 18.655 1.00 34.20 C ATOM 1067 C ASN A 66 -12.020 -4.603 20.102 1.00 10.50 C ATOM 1068 O ASN A 66 -11.010 -5.261 20.370 1.00 63.30 O ATOM 1069 CB ASN A 66 -13.046 -5.935 18.208 1.00 71.00 C ATOM 1070 CG ASN A 66 -14.279 -6.406 18.968 1.00 2.32 C ATOM 1071 OD1 ASN A 66 -14.500 -6.040 20.115 1.00 12.51 O ATOM 1072 ND2 ASN A 66 -15.084 -7.236 18.337 1.00 11.20 N ATOM 0 H ASN A 66 -10.621 -4.586 17.817 1.00 2.01 H new ATOM 0 HA ASN A 66 -13.387 -3.851 18.624 1.00 34.20 H new ATOM 0 HB2 ASN A 66 -13.273 -5.906 17.142 1.00 71.00 H new ATOM 0 HB3 ASN A 66 -12.245 -6.661 18.343 1.00 71.00 H new ATOM 0 HD21 ASN A 66 -15.918 -7.592 18.804 1.00 11.20 H new ATOM 0 HD22 ASN A 66 -14.873 -7.523 17.381 1.00 11.20 H new ATOM 1079 N GLU A 67 -12.695 -3.931 21.033 1.00 51.11 N ATOM 1080 CA GLU A 67 -12.273 -3.939 22.444 1.00 61.13 C ATOM 1081 C GLU A 67 -12.345 -5.353 23.048 1.00 33.20 C ATOM 1082 O GLU A 67 -11.537 -5.715 23.908 1.00 42.22 O ATOM 1083 CB GLU A 67 -13.122 -2.970 23.280 1.00 14.41 C ATOM 1084 CG GLU A 67 -12.692 -2.908 24.745 1.00 61.41 C ATOM 1085 CD GLU A 67 -13.501 -1.924 25.571 1.00 3.23 C ATOM 1086 OE1 GLU A 67 -14.544 -2.328 26.132 1.00 42.22 O ATOM 1087 OE2 GLU A 67 -13.082 -0.753 25.681 1.00 13.42 O1- ATOM 0 H GLU A 67 -13.530 -3.377 20.844 1.00 51.11 H new ATOM 0 HA GLU A 67 -11.235 -3.608 22.469 1.00 61.13 H new ATOM 0 HB2 GLU A 67 -13.057 -1.972 22.846 1.00 14.41 H new ATOM 0 HB3 GLU A 67 -14.168 -3.274 23.227 1.00 14.41 H new ATOM 0 HG2 GLU A 67 -12.783 -3.901 25.185 1.00 61.41 H new ATOM 0 HG3 GLU A 67 -11.639 -2.633 24.795 1.00 61.41 H new ATOM 1094 N GLU A 68 -13.314 -6.148 22.597 1.00 65.04 N ATOM 1095 CA GLU A 68 -13.425 -7.552 23.016 1.00 31.10 C ATOM 1096 C GLU A 68 -12.212 -8.354 22.522 1.00 12.04 C ATOM 1097 O GLU A 68 -11.679 -9.211 23.231 1.00 42.31 O ATOM 1098 CB GLU A 68 -14.719 -8.170 22.466 1.00 14.14 C ATOM 1099 CG GLU A 68 -15.984 -7.419 22.874 1.00 34.03 C ATOM 1100 CD GLU A 68 -17.245 -8.024 22.278 1.00 21.31 C ATOM 1101 OE1 GLU A 68 -17.648 -7.607 21.169 1.00 10.45 O ATOM 1102 OE2 GLU A 68 -17.837 -8.924 22.912 1.00 12.33 O1- ATOM 0 H GLU A 68 -14.035 -5.848 21.941 1.00 65.04 H new ATOM 0 HA GLU A 68 -13.451 -7.587 24.105 1.00 31.10 H new ATOM 0 HB2 GLU A 68 -14.662 -8.201 21.378 1.00 14.14 H new ATOM 0 HB3 GLU A 68 -14.793 -9.201 22.811 1.00 14.14 H new ATOM 0 HG2 GLU A 68 -16.066 -7.417 23.961 1.00 34.03 H new ATOM 0 HG3 GLU A 68 -15.901 -6.379 22.559 1.00 34.03 H new ATOM 1109 N LEU A 69 -11.780 -8.050 21.300 1.00 71.14 N ATOM 1110 CA LEU A 69 -10.594 -8.676 20.701 1.00 1.13 C ATOM 1111 C LEU A 69 -9.335 -8.363 21.530 1.00 4.13 C ATOM 1112 O LEU A 69 -8.446 -9.198 21.656 1.00 74.23 O ATOM 1113 CB LEU A 69 -10.432 -8.204 19.239 1.00 55.33 C ATOM 1114 CG LEU A 69 -9.474 -9.027 18.344 1.00 30.42 C ATOM 1115 CD1 LEU A 69 -9.768 -8.766 16.867 1.00 13.13 C ATOM 1116 CD2 LEU A 69 -8.008 -8.710 18.644 1.00 42.22 C ATOM 0 H LEU A 69 -12.237 -7.367 20.696 1.00 71.14 H new ATOM 0 HA LEU A 69 -10.727 -9.758 20.701 1.00 1.13 H new ATOM 0 HB2 LEU A 69 -11.417 -8.202 18.771 1.00 55.33 H new ATOM 0 HB3 LEU A 69 -10.083 -7.172 19.252 1.00 55.33 H new ATOM 0 HG LEU A 69 -9.644 -10.080 18.566 1.00 30.42 H new ATOM 0 HD11 LEU A 69 -9.086 -9.352 16.251 1.00 13.13 H new ATOM 0 HD12 LEU A 69 -10.796 -9.053 16.644 1.00 13.13 H new ATOM 0 HD13 LEU A 69 -9.632 -7.706 16.651 1.00 13.13 H new ATOM 0 HD21 LEU A 69 -7.367 -9.307 17.996 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -7.821 -7.651 18.464 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -7.791 -8.945 19.686 1.00 42.22 H new ATOM 1128 N ALA A 70 -9.287 -7.163 22.117 1.00 44.24 N ATOM 1129 CA ALA A 70 -8.116 -6.706 22.890 1.00 51.15 C ATOM 1130 C ALA A 70 -7.716 -7.706 23.994 1.00 21.45 C ATOM 1131 O ALA A 70 -6.534 -7.837 24.330 1.00 63.32 O ATOM 1132 CB ALA A 70 -8.387 -5.331 23.497 1.00 20.32 C ATOM 0 H ALA A 70 -10.047 -6.484 22.074 1.00 44.24 H new ATOM 0 HA ALA A 70 -7.278 -6.638 22.196 1.00 51.15 H new ATOM 0 HB1 ALA A 70 -7.515 -5.006 24.065 1.00 20.32 H new ATOM 0 HB2 ALA A 70 -8.589 -4.615 22.700 1.00 20.32 H new ATOM 0 HB3 ALA A 70 -9.250 -5.390 24.160 1.00 20.32 H new ATOM 1138 N LYS A 71 -8.700 -8.400 24.562 1.00 43.04 N ATOM 1139 CA LYS A 71 -8.431 -9.455 25.548 1.00 31.52 C ATOM 1140 C LYS A 71 -7.640 -10.613 24.901 1.00 30.31 C ATOM 1141 O LYS A 71 -6.684 -11.138 25.479 1.00 53.05 O ATOM 1142 CB LYS A 71 -9.747 -9.978 26.160 1.00 50.20 C ATOM 1143 CG LYS A 71 -10.458 -8.998 27.104 1.00 5.33 C ATOM 1144 CD LYS A 71 -10.978 -7.753 26.381 1.00 20.43 C ATOM 1145 CE LYS A 71 -11.748 -6.829 27.321 1.00 34.42 C ATOM 1146 NZ LYS A 71 -12.209 -5.590 26.638 1.00 72.24 N1+ ATOM 0 H LYS A 71 -9.689 -8.255 24.360 1.00 43.04 H new ATOM 0 HA LYS A 71 -7.827 -9.028 26.348 1.00 31.52 H new ATOM 0 HB2 LYS A 71 -10.429 -10.238 25.350 1.00 50.20 H new ATOM 0 HB3 LYS A 71 -9.536 -10.897 26.707 1.00 50.20 H new ATOM 0 HG2 LYS A 71 -11.292 -9.507 27.588 1.00 5.33 H new ATOM 0 HG3 LYS A 71 -9.769 -8.694 27.892 1.00 5.33 H new ATOM 0 HD2 LYS A 71 -10.140 -7.210 25.944 1.00 20.43 H new ATOM 0 HD3 LYS A 71 -11.626 -8.055 25.558 1.00 20.43 H new ATOM 0 HE2 LYS A 71 -12.609 -7.361 27.726 1.00 34.42 H new ATOM 0 HE3 LYS A 71 -11.113 -6.562 28.166 1.00 34.42 H new ATOM 0 HZ1 LYS A 71 -11.636 -4.783 26.958 1.00 72.24 H new ATOM 0 HZ2 LYS A 71 -12.105 -5.702 25.609 1.00 72.24 H new ATOM 0 HZ3 LYS A 71 -13.208 -5.418 26.869 1.00 72.24 H new ATOM 1160 N ARG A 72 -8.037 -10.991 23.686 1.00 12.43 N ATOM 1161 CA ARG A 72 -7.329 -12.023 22.912 1.00 11.10 C ATOM 1162 C ARG A 72 -5.968 -11.496 22.415 1.00 2.32 C ATOM 1163 O ARG A 72 -4.969 -12.218 22.396 1.00 24.34 O ATOM 1164 CB ARG A 72 -8.206 -12.469 21.731 1.00 3.54 C ATOM 1165 CG ARG A 72 -7.622 -13.615 20.909 1.00 35.04 C ATOM 1166 CD ARG A 72 -8.619 -14.118 19.869 1.00 31.22 C ATOM 1167 NE ARG A 72 -9.879 -14.541 20.487 1.00 42.35 N ATOM 1168 CZ ARG A 72 -11.052 -14.431 19.922 1.00 51.35 C ATOM 1169 NH1 ARG A 72 -11.169 -13.952 18.723 1.00 53.43 N1+ ATOM 1170 NH2 ARG A 72 -12.111 -14.808 20.562 1.00 35.13 N ATOM 0 H ARG A 72 -8.849 -10.598 23.210 1.00 12.43 H new ATOM 0 HA ARG A 72 -7.136 -12.881 23.556 1.00 11.10 H new ATOM 0 HB2 ARG A 72 -9.181 -12.772 22.112 1.00 3.54 H new ATOM 0 HB3 ARG A 72 -8.372 -11.615 21.074 1.00 3.54 H new ATOM 0 HG2 ARG A 72 -6.712 -13.281 20.411 1.00 35.04 H new ATOM 0 HG3 ARG A 72 -7.341 -14.434 21.571 1.00 35.04 H new ATOM 0 HD2 ARG A 72 -8.816 -13.330 19.143 1.00 31.22 H new ATOM 0 HD3 ARG A 72 -8.183 -14.954 19.322 1.00 31.22 H new ATOM 0 HE ARG A 72 -9.837 -14.949 21.421 1.00 42.35 H new ATOM 0 HH11 ARG A 72 -10.339 -13.656 18.209 1.00 53.43 H new ATOM 0 HH12 ARG A 72 -12.091 -13.872 18.294 1.00 53.43 H new ATOM 0 HH21 ARG A 72 -12.029 -15.190 21.504 1.00 35.13 H new ATOM 0 HH22 ARG A 72 -13.028 -14.724 20.124 1.00 35.13 H new ATOM 1184 N ALA A 73 -5.944 -10.213 22.053 1.00 32.21 N ATOM 1185 CA ALA A 73 -4.724 -9.526 21.612 1.00 65.22 C ATOM 1186 C ALA A 73 -3.652 -9.528 22.707 1.00 42.45 C ATOM 1187 O ALA A 73 -2.457 -9.513 22.422 1.00 13.04 O ATOM 1188 CB ALA A 73 -5.042 -8.092 21.192 1.00 21.34 C ATOM 0 H ALA A 73 -6.772 -9.617 22.056 1.00 32.21 H new ATOM 0 HA ALA A 73 -4.330 -10.070 20.754 1.00 65.22 H new ATOM 0 HB1 ALA A 73 -4.127 -7.596 20.868 1.00 21.34 H new ATOM 0 HB2 ALA A 73 -5.759 -8.104 20.371 1.00 21.34 H new ATOM 0 HB3 ALA A 73 -5.468 -7.551 22.037 1.00 21.34 H new ATOM 1194 N LYS A 74 -4.093 -9.551 23.962 1.00 33.51 N ATOM 1195 CA LYS A 74 -3.192 -9.449 25.113 1.00 4.13 C ATOM 1196 C LYS A 74 -2.045 -10.475 25.042 1.00 50.12 C ATOM 1197 O LYS A 74 -0.919 -10.172 25.430 1.00 60.42 O ATOM 1198 CB LYS A 74 -3.978 -9.642 26.418 1.00 45.43 C ATOM 1199 CG LYS A 74 -3.217 -9.199 27.669 1.00 12.22 C ATOM 1200 CD LYS A 74 -2.987 -7.682 27.703 1.00 21.13 C ATOM 1201 CE LYS A 74 -4.247 -6.898 28.084 1.00 71.31 C ATOM 1202 NZ LYS A 74 -5.383 -7.132 27.149 1.00 3.21 N1+ ATOM 0 H LYS A 74 -5.078 -9.640 24.212 1.00 33.51 H new ATOM 0 HA LYS A 74 -2.750 -8.453 25.092 1.00 4.13 H new ATOM 0 HB2 LYS A 74 -4.911 -9.083 26.355 1.00 45.43 H new ATOM 0 HB3 LYS A 74 -4.243 -10.694 26.519 1.00 45.43 H new ATOM 0 HG2 LYS A 74 -3.774 -9.500 28.556 1.00 12.22 H new ATOM 0 HG3 LYS A 74 -2.256 -9.711 27.707 1.00 12.22 H new ATOM 0 HD2 LYS A 74 -2.194 -7.455 28.416 1.00 21.13 H new ATOM 0 HD3 LYS A 74 -2.640 -7.350 26.725 1.00 21.13 H new ATOM 0 HE2 LYS A 74 -4.551 -7.177 29.093 1.00 71.31 H new ATOM 0 HE3 LYS A 74 -4.014 -5.833 28.104 1.00 71.31 H new ATOM 0 HZ1 LYS A 74 -6.027 -6.316 27.174 1.00 3.21 H new ATOM 0 HZ2 LYS A 74 -5.018 -7.256 26.183 1.00 3.21 H new ATOM 0 HZ3 LYS A 74 -5.898 -7.988 27.436 1.00 3.21 H new ATOM 1216 N LYS A 75 -2.331 -11.686 24.559 1.00 21.22 N ATOM 1217 CA LYS A 75 -1.290 -12.717 24.400 1.00 35.11 C ATOM 1218 C LYS A 75 -0.173 -12.259 23.438 1.00 71.24 C ATOM 1219 O LYS A 75 1.005 -12.550 23.660 1.00 64.25 O ATOM 1220 CB LYS A 75 -1.899 -14.049 23.927 1.00 55.33 C ATOM 1221 CG LYS A 75 -2.437 -14.924 25.065 1.00 52.12 C ATOM 1222 CD LYS A 75 -3.645 -14.308 25.774 1.00 44.41 C ATOM 1223 CE LYS A 75 -4.889 -14.310 24.891 1.00 24.25 C ATOM 1224 NZ LYS A 75 -6.103 -13.868 25.632 1.00 73.21 N1+ ATOM 0 H LYS A 75 -3.265 -11.980 24.272 1.00 21.22 H new ATOM 0 HA LYS A 75 -0.839 -12.873 25.380 1.00 35.11 H new ATOM 0 HB2 LYS A 75 -2.709 -13.839 23.229 1.00 55.33 H new ATOM 0 HB3 LYS A 75 -1.142 -14.609 23.378 1.00 55.33 H new ATOM 0 HG2 LYS A 75 -2.716 -15.899 24.665 1.00 52.12 H new ATOM 0 HG3 LYS A 75 -1.643 -15.093 25.792 1.00 52.12 H new ATOM 0 HD2 LYS A 75 -3.850 -14.863 26.690 1.00 44.41 H new ATOM 0 HD3 LYS A 75 -3.410 -13.285 26.067 1.00 44.41 H new ATOM 0 HE2 LYS A 75 -4.727 -13.653 24.036 1.00 24.25 H new ATOM 0 HE3 LYS A 75 -5.051 -15.313 24.496 1.00 24.25 H new ATOM 0 HZ1 LYS A 75 -6.950 -14.266 25.179 1.00 73.21 H new ATOM 0 HZ2 LYS A 75 -6.049 -14.199 26.616 1.00 73.21 H new ATOM 0 HZ3 LYS A 75 -6.159 -12.830 25.619 1.00 73.21 H new ATOM 1238 N LEU A 76 -0.541 -11.529 22.384 1.00 15.23 N ATOM 1239 CA LEU A 76 0.453 -10.928 21.482 1.00 51.01 C ATOM 1240 C LEU A 76 1.348 -9.956 22.264 1.00 33.15 C ATOM 1241 O LEU A 76 2.569 -9.946 22.112 1.00 5.34 O ATOM 1242 CB LEU A 76 -0.231 -10.189 20.312 1.00 51.55 C ATOM 1243 CG LEU A 76 -0.906 -11.074 19.241 1.00 14.32 C ATOM 1244 CD1 LEU A 76 0.112 -12.009 18.590 1.00 72.31 C ATOM 1245 CD2 LEU A 76 -2.079 -11.864 19.826 1.00 40.51 C ATOM 0 H LEU A 76 -1.511 -11.338 22.132 1.00 15.23 H new ATOM 0 HA LEU A 76 1.064 -11.729 21.066 1.00 51.01 H new ATOM 0 HB2 LEU A 76 -0.984 -9.518 20.725 1.00 51.55 H new ATOM 0 HB3 LEU A 76 0.515 -9.565 19.819 1.00 51.55 H new ATOM 0 HG LEU A 76 -1.306 -10.415 18.470 1.00 14.32 H new ATOM 0 HD11 LEU A 76 -0.386 -12.623 17.839 1.00 72.31 H new ATOM 0 HD12 LEU A 76 0.896 -11.419 18.115 1.00 72.31 H new ATOM 0 HD13 LEU A 76 0.553 -12.653 19.351 1.00 72.31 H new ATOM 0 HD21 LEU A 76 -2.531 -12.476 19.045 1.00 40.51 H new ATOM 0 HD22 LEU A 76 -1.720 -12.507 20.629 1.00 40.51 H new ATOM 0 HD23 LEU A 76 -2.823 -11.172 20.221 1.00 40.51 H new ATOM 1257 N LEU A 77 0.721 -9.152 23.119 1.00 14.25 N ATOM 1258 CA LEU A 77 1.445 -8.230 24.002 1.00 71.44 C ATOM 1259 C LEU A 77 2.318 -8.995 25.015 1.00 43.41 C ATOM 1260 O LEU A 77 3.413 -8.554 25.357 1.00 41.41 O ATOM 1261 CB LEU A 77 0.461 -7.303 24.743 1.00 31.35 C ATOM 1262 CG LEU A 77 -0.172 -6.174 23.900 1.00 11.31 C ATOM 1263 CD1 LEU A 77 -0.928 -6.728 22.696 1.00 24.41 C ATOM 1264 CD2 LEU A 77 -1.098 -5.322 24.766 1.00 41.14 C ATOM 0 H LEU A 77 -0.293 -9.118 23.222 1.00 14.25 H new ATOM 0 HA LEU A 77 2.101 -7.622 23.379 1.00 71.44 H new ATOM 0 HB2 LEU A 77 -0.341 -7.914 25.156 1.00 31.35 H new ATOM 0 HB3 LEU A 77 0.984 -6.851 25.586 1.00 31.35 H new ATOM 0 HG LEU A 77 0.636 -5.548 23.522 1.00 11.31 H new ATOM 0 HD11 LEU A 77 -1.360 -5.905 22.127 1.00 24.41 H new ATOM 0 HD12 LEU A 77 -0.241 -7.287 22.061 1.00 24.41 H new ATOM 0 HD13 LEU A 77 -1.724 -7.389 23.039 1.00 24.41 H new ATOM 0 HD21 LEU A 77 -1.537 -4.530 24.159 1.00 41.14 H new ATOM 0 HD22 LEU A 77 -1.891 -5.948 25.175 1.00 41.14 H new ATOM 0 HD23 LEU A 77 -0.527 -4.879 25.582 1.00 41.14 H new ATOM 1276 N ARG A 78 1.829 -10.146 25.489 1.00 10.11 N ATOM 1277 CA ARG A 78 2.599 -11.000 26.410 1.00 60.02 C ATOM 1278 C ARG A 78 3.896 -11.494 25.754 1.00 75.21 C ATOM 1279 O ARG A 78 4.916 -11.676 26.424 1.00 33.14 O ATOM 1280 CB ARG A 78 1.755 -12.197 26.877 1.00 15.14 C ATOM 1281 CG ARG A 78 0.583 -11.818 27.781 1.00 4.34 C ATOM 1282 CD ARG A 78 1.055 -11.173 29.082 1.00 11.14 C ATOM 1283 NE ARG A 78 1.914 -12.067 29.861 1.00 34.45 N ATOM 1284 CZ ARG A 78 2.684 -11.679 30.844 1.00 13.41 C ATOM 1285 NH1 ARG A 78 2.739 -10.433 31.192 1.00 62.33 N1+ ATOM 1286 NH2 ARG A 78 3.393 -12.547 31.486 1.00 13.00 N ATOM 0 H ARG A 78 0.906 -10.510 25.253 1.00 10.11 H new ATOM 0 HA ARG A 78 2.862 -10.396 27.278 1.00 60.02 H new ATOM 0 HB2 ARG A 78 1.370 -12.720 26.002 1.00 15.14 H new ATOM 0 HB3 ARG A 78 2.399 -12.897 27.409 1.00 15.14 H new ATOM 0 HG2 ARG A 78 -0.076 -11.129 27.252 1.00 4.34 H new ATOM 0 HG3 ARG A 78 -0.003 -12.708 28.009 1.00 4.34 H new ATOM 0 HD2 ARG A 78 1.599 -10.256 28.855 1.00 11.14 H new ATOM 0 HD3 ARG A 78 0.189 -10.890 29.681 1.00 11.14 H new ATOM 0 HE ARG A 78 1.912 -13.058 29.621 1.00 34.45 H new ATOM 0 HH11 ARG A 78 2.177 -9.740 30.697 1.00 62.33 H new ATOM 0 HH12 ARG A 78 3.344 -10.144 31.961 1.00 62.33 H new ATOM 0 HH21 ARG A 78 3.351 -13.532 31.226 1.00 13.00 H new ATOM 0 HH22 ARG A 78 3.995 -12.247 32.253 1.00 13.00 H new ATOM 1300 N SER A 79 3.845 -11.693 24.438 1.00 61.20 N ATOM 1301 CA SER A 79 5.031 -12.061 23.652 1.00 53.02 C ATOM 1302 C SER A 79 6.088 -10.946 23.711 1.00 74.23 C ATOM 1303 O SER A 79 7.273 -11.181 23.484 1.00 22.40 O ATOM 1304 CB SER A 79 4.643 -12.334 22.190 1.00 15.12 C ATOM 1305 OG SER A 79 3.663 -13.361 22.094 1.00 54.32 O ATOM 0 H SER A 79 2.991 -11.606 23.887 1.00 61.20 H new ATOM 0 HA SER A 79 5.454 -12.969 24.082 1.00 53.02 H new ATOM 0 HB2 SER A 79 4.259 -11.420 21.738 1.00 15.12 H new ATOM 0 HB3 SER A 79 5.530 -12.621 21.625 1.00 15.12 H new ATOM 0 HG SER A 79 2.846 -13.078 22.556 1.00 54.32 H new ATOM 1311 N TRP A 80 5.637 -9.726 24.005 1.00 51.21 N ATOM 1312 CA TRP A 80 6.536 -8.584 24.209 1.00 11.01 C ATOM 1313 C TRP A 80 6.888 -8.416 25.699 1.00 32.22 C ATOM 1314 O TRP A 80 8.023 -8.098 26.050 1.00 64.55 O ATOM 1315 CB TRP A 80 5.879 -7.293 23.696 1.00 21.24 C ATOM 1316 CG TRP A 80 5.482 -7.333 22.248 1.00 62.04 C ATOM 1317 CD1 TRP A 80 5.922 -8.203 21.294 1.00 13.44 C ATOM 1318 CD2 TRP A 80 4.570 -6.443 21.590 1.00 63.32 C ATOM 1319 NE1 TRP A 80 5.327 -7.922 20.090 1.00 53.50 N ATOM 1320 CE2 TRP A 80 4.493 -6.843 20.245 1.00 44.01 C ATOM 1321 CE3 TRP A 80 3.805 -5.353 22.015 1.00 3.33 C ATOM 1322 CZ2 TRP A 80 3.685 -6.186 19.318 1.00 54.11 C ATOM 1323 CZ3 TRP A 80 3.006 -4.700 21.097 1.00 33.44 C ATOM 1324 CH2 TRP A 80 2.948 -5.119 19.761 1.00 3.51 C ATOM 0 H TRP A 80 4.648 -9.500 24.108 1.00 51.21 H new ATOM 0 HA TRP A 80 7.452 -8.777 23.651 1.00 11.01 H new ATOM 0 HB2 TRP A 80 4.994 -7.086 24.297 1.00 21.24 H new ATOM 0 HB3 TRP A 80 6.569 -6.463 23.848 1.00 21.24 H new ATOM 0 HD1 TRP A 80 6.635 -8.997 21.462 1.00 13.44 H new ATOM 0 HE1 TRP A 80 5.480 -8.433 19.220 1.00 53.50 H new ATOM 0 HE3 TRP A 80 3.838 -5.027 23.044 1.00 3.33 H new ATOM 0 HZ2 TRP A 80 3.641 -6.507 18.288 1.00 54.11 H new ATOM 0 HZ3 TRP A 80 2.416 -3.853 21.414 1.00 33.44 H new ATOM 0 HH2 TRP A 80 2.310 -4.591 19.067 1.00 3.51 H new ATOM 1335 N GLN A 81 5.901 -8.636 26.571 1.00 61.34 N ATOM 1336 CA GLN A 81 6.085 -8.476 28.024 1.00 53.41 C ATOM 1337 C GLN A 81 7.096 -9.489 28.586 1.00 61.15 C ATOM 1338 O GLN A 81 7.674 -9.276 29.653 1.00 65.32 O ATOM 1339 CB GLN A 81 4.736 -8.607 28.751 1.00 20.53 C ATOM 1340 CG GLN A 81 3.703 -7.566 28.323 1.00 12.31 C ATOM 1341 CD GLN A 81 4.156 -6.137 28.582 1.00 44.11 C ATOM 1342 OE1 GLN A 81 3.887 -5.567 29.633 1.00 63.01 O ATOM 1343 NE2 GLN A 81 4.851 -5.551 27.627 1.00 4.41 N ATOM 0 H GLN A 81 4.962 -8.926 26.299 1.00 61.34 H new ATOM 0 HA GLN A 81 6.488 -7.478 28.197 1.00 53.41 H new ATOM 0 HB2 GLN A 81 4.331 -9.603 28.570 1.00 20.53 H new ATOM 0 HB3 GLN A 81 4.902 -8.521 29.825 1.00 20.53 H new ATOM 0 HG2 GLN A 81 3.492 -7.687 27.261 1.00 12.31 H new ATOM 0 HG3 GLN A 81 2.770 -7.748 28.856 1.00 12.31 H new ATOM 0 HE21 GLN A 81 5.057 -6.054 26.764 1.00 4.41 H new ATOM 0 HE22 GLN A 81 5.182 -4.594 27.751 1.00 4.41 H new ATOM 1352 N LYS A 82 7.320 -10.584 27.855 1.00 70.55 N ATOM 1353 CA LYS A 82 8.333 -11.574 28.241 1.00 12.42 C ATOM 1354 C LYS A 82 9.739 -10.949 28.247 1.00 24.12 C ATOM 1355 O LYS A 82 10.691 -11.531 28.763 1.00 52.31 O ATOM 1356 CB LYS A 82 8.275 -12.799 27.302 1.00 65.51 C ATOM 1357 CG LYS A 82 8.682 -12.529 25.849 1.00 40.21 C ATOM 1358 CD LYS A 82 10.191 -12.672 25.624 1.00 24.22 C ATOM 1359 CE LYS A 82 10.666 -14.110 25.824 1.00 5.45 C ATOM 1360 NZ LYS A 82 12.149 -14.210 25.835 1.00 32.30 N1+ ATOM 0 H LYS A 82 6.817 -10.808 26.996 1.00 70.55 H new ATOM 0 HA LYS A 82 8.115 -11.910 29.255 1.00 12.42 H new ATOM 0 HB2 LYS A 82 8.924 -13.577 27.705 1.00 65.51 H new ATOM 0 HB3 LYS A 82 7.259 -13.195 27.310 1.00 65.51 H new ATOM 0 HG2 LYS A 82 8.153 -13.220 25.193 1.00 40.21 H new ATOM 0 HG3 LYS A 82 8.370 -11.523 25.569 1.00 40.21 H new ATOM 0 HD2 LYS A 82 10.439 -12.345 24.614 1.00 24.22 H new ATOM 0 HD3 LYS A 82 10.724 -12.015 26.312 1.00 24.22 H new ATOM 0 HE2 LYS A 82 10.270 -14.495 26.763 1.00 5.45 H new ATOM 0 HE3 LYS A 82 10.266 -14.738 25.028 1.00 5.45 H new ATOM 0 HZ1 LYS A 82 12.429 -15.202 25.973 1.00 32.30 H new ATOM 0 HZ2 LYS A 82 12.527 -13.866 24.929 1.00 32.30 H new ATOM 0 HZ3 LYS A 82 12.530 -13.632 26.611 1.00 32.30 H new ATOM 1374 N LEU A 83 9.858 -9.763 27.650 1.00 24.22 N ATOM 1375 CA LEU A 83 11.112 -9.006 27.655 1.00 35.24 C ATOM 1376 C LEU A 83 11.446 -8.495 29.066 1.00 20.41 C ATOM 1377 O LEU A 83 12.604 -8.521 29.493 1.00 64.02 O ATOM 1378 CB LEU A 83 10.995 -7.816 26.693 1.00 1.22 C ATOM 1379 CG LEU A 83 12.243 -6.924 26.579 1.00 41.45 C ATOM 1380 CD1 LEU A 83 13.381 -7.663 25.878 1.00 64.33 C ATOM 1381 CD2 LEU A 83 11.908 -5.624 25.851 1.00 74.33 C ATOM 0 H LEU A 83 9.096 -9.302 27.153 1.00 24.22 H new ATOM 0 HA LEU A 83 11.915 -9.669 27.332 1.00 35.24 H new ATOM 0 HB2 LEU A 83 10.752 -8.197 25.701 1.00 1.22 H new ATOM 0 HB3 LEU A 83 10.156 -7.197 27.011 1.00 1.22 H new ATOM 0 HG LEU A 83 12.577 -6.676 27.586 1.00 41.45 H new ATOM 0 HD11 LEU A 83 14.251 -7.010 25.810 1.00 64.33 H new ATOM 0 HD12 LEU A 83 13.640 -8.556 26.447 1.00 64.33 H new ATOM 0 HD13 LEU A 83 13.065 -7.951 24.876 1.00 64.33 H new ATOM 0 HD21 LEU A 83 12.803 -5.006 25.780 1.00 74.33 H new ATOM 0 HD22 LEU A 83 11.544 -5.851 24.849 1.00 74.33 H new ATOM 0 HD23 LEU A 83 11.138 -5.086 26.404 1.00 74.33 H new ATOM 1393 N ILE A 84 10.422 -8.038 29.790 1.00 43.43 N ATOM 1394 CA ILE A 84 10.608 -7.495 31.144 1.00 23.42 C ATOM 1395 C ILE A 84 10.299 -8.538 32.233 1.00 61.02 C ATOM 1396 O ILE A 84 10.768 -8.420 33.367 1.00 70.25 O ATOM 1397 CB ILE A 84 9.723 -6.237 31.375 1.00 2.50 C ATOM 1398 CG1 ILE A 84 8.227 -6.581 31.231 1.00 33.22 C ATOM 1399 CG2 ILE A 84 10.114 -5.125 30.401 1.00 14.21 C ATOM 1400 CD1 ILE A 84 7.296 -5.409 31.479 1.00 70.52 C ATOM 0 H ILE A 84 9.455 -8.032 29.465 1.00 43.43 H new ATOM 0 HA ILE A 84 11.659 -7.216 31.220 1.00 23.42 H new ATOM 0 HB ILE A 84 9.892 -5.884 32.392 1.00 2.50 H new ATOM 0 HG12 ILE A 84 8.049 -6.967 30.227 1.00 33.22 H new ATOM 0 HG13 ILE A 84 7.980 -7.381 31.929 1.00 33.22 H new ATOM 0 HG21 ILE A 84 9.486 -4.251 30.575 1.00 14.21 H new ATOM 0 HG22 ILE A 84 11.159 -4.857 30.555 1.00 14.21 H new ATOM 0 HG23 ILE A 84 9.976 -5.473 29.377 1.00 14.21 H new ATOM 0 HD11 ILE A 84 6.262 -5.733 31.358 1.00 70.52 H new ATOM 0 HD12 ILE A 84 7.443 -5.036 32.492 1.00 70.52 H new ATOM 0 HD13 ILE A 84 7.513 -4.615 30.765 1.00 70.52 H new ATOM 1412 N GLU A 85 9.514 -9.555 31.886 1.00 1.23 N ATOM 1413 CA GLU A 85 9.162 -10.624 32.830 1.00 52.23 C ATOM 1414 C GLU A 85 9.755 -11.975 32.394 1.00 64.45 C ATOM 1415 O GLU A 85 9.737 -12.315 31.212 1.00 13.05 O ATOM 1416 CB GLU A 85 7.636 -10.750 32.953 1.00 40.33 C ATOM 1417 CG GLU A 85 6.951 -9.501 33.499 1.00 65.44 C ATOM 1418 CD GLU A 85 5.464 -9.710 33.739 1.00 70.02 C ATOM 1419 OE1 GLU A 85 5.096 -10.194 34.831 1.00 41.34 O ATOM 1420 OE2 GLU A 85 4.656 -9.400 32.840 1.00 0.51 O1- ATOM 0 H GLU A 85 9.107 -9.665 30.957 1.00 1.23 H new ATOM 0 HA GLU A 85 9.584 -10.358 33.799 1.00 52.23 H new ATOM 0 HB2 GLU A 85 7.221 -10.980 31.972 1.00 40.33 H new ATOM 0 HB3 GLU A 85 7.403 -11.593 33.603 1.00 40.33 H new ATOM 0 HG2 GLU A 85 7.429 -9.208 34.434 1.00 65.44 H new ATOM 0 HG3 GLU A 85 7.090 -8.678 32.798 1.00 65.44 H new ATOM 1427 N PRO A 86 10.270 -12.778 33.348 1.00 45.32 N ATOM 1428 CA PRO A 86 10.854 -14.100 33.043 1.00 44.10 C ATOM 1429 C PRO A 86 9.798 -15.171 32.700 1.00 61.43 C ATOM 1430 O PRO A 86 10.136 -16.328 32.434 1.00 55.22 O ATOM 1431 CB PRO A 86 11.589 -14.456 34.343 1.00 64.31 C ATOM 1432 CG PRO A 86 10.828 -13.747 35.412 1.00 23.13 C ATOM 1433 CD PRO A 86 10.339 -12.462 34.792 1.00 14.02 C ATOM 0 HA PRO A 86 11.493 -14.067 32.160 1.00 44.10 H new ATOM 0 HB2 PRO A 86 11.598 -15.533 34.511 1.00 64.31 H new ATOM 0 HB3 PRO A 86 12.628 -14.129 34.313 1.00 64.31 H new ATOM 0 HG2 PRO A 86 9.993 -14.353 35.764 1.00 23.13 H new ATOM 0 HG3 PRO A 86 11.463 -13.547 36.275 1.00 23.13 H new ATOM 0 HD2 PRO A 86 9.365 -12.172 35.186 1.00 14.02 H new ATOM 0 HD3 PRO A 86 11.022 -11.636 34.990 1.00 14.02 H new ATOM 1441 N ALA A 87 8.523 -14.775 32.701 1.00 14.14 N ATOM 1442 CA ALA A 87 7.415 -15.686 32.391 1.00 34.25 C ATOM 1443 C ALA A 87 7.039 -15.629 30.900 1.00 32.31 C ATOM 1444 O ALA A 87 6.621 -14.584 30.392 1.00 63.02 O ATOM 1445 CB ALA A 87 6.205 -15.348 33.258 1.00 72.21 C ATOM 0 H ALA A 87 8.229 -13.822 32.915 1.00 14.14 H new ATOM 0 HA ALA A 87 7.741 -16.703 32.610 1.00 34.25 H new ATOM 0 HB1 ALA A 87 5.387 -16.028 33.022 1.00 72.21 H new ATOM 0 HB2 ALA A 87 6.471 -15.451 34.310 1.00 72.21 H new ATOM 0 HB3 ALA A 87 5.892 -14.322 33.062 1.00 72.21 H new ATOM 1451 N HIS A 88 7.194 -16.754 30.203 1.00 34.35 N ATOM 1452 CA HIS A 88 6.888 -16.830 28.769 1.00 64.35 C ATOM 1453 C HIS A 88 6.608 -18.283 28.342 1.00 52.43 C ATOM 1454 O HIS A 88 7.310 -19.206 28.754 1.00 62.33 O ATOM 1455 CB HIS A 88 8.044 -16.233 27.955 1.00 30.44 C ATOM 1456 CG HIS A 88 9.359 -16.931 28.145 1.00 64.44 C ATOM 1457 ND1 HIS A 88 9.950 -17.693 27.164 1.00 43.01 N ATOM 1458 CD2 HIS A 88 10.200 -16.976 29.206 1.00 72.45 C ATOM 1459 CE1 HIS A 88 11.093 -18.174 27.606 1.00 42.15 C ATOM 1460 NE2 HIS A 88 11.269 -17.753 28.841 1.00 12.23 N ATOM 0 H HIS A 88 7.530 -17.629 30.606 1.00 34.35 H new ATOM 0 HA HIS A 88 5.987 -16.249 28.574 1.00 64.35 H new ATOM 0 HB2 HIS A 88 7.781 -16.261 26.898 1.00 30.44 H new ATOM 0 HB3 HIS A 88 8.160 -15.184 28.227 1.00 30.44 H new ATOM 0 HD2 HIS A 88 10.056 -16.491 30.160 1.00 72.45 H new ATOM 0 HE1 HIS A 88 11.770 -18.806 27.051 1.00 42.15 H new ATOM 0 HE2 HIS A 88 12.072 -17.970 29.432 1.00 12.23 H new ATOM 1469 N GLN A 89 5.595 -18.476 27.496 1.00 64.51 N ATOM 1470 CA GLN A 89 5.110 -19.823 27.141 1.00 4.33 C ATOM 1471 C GLN A 89 5.905 -20.457 25.977 1.00 11.03 C ATOM 1472 O GLN A 89 5.319 -20.993 25.034 1.00 22.44 O ATOM 1473 CB GLN A 89 3.616 -19.750 26.783 1.00 44.22 C ATOM 1474 CG GLN A 89 2.752 -19.140 27.883 1.00 63.34 C ATOM 1475 CD GLN A 89 1.271 -19.139 27.540 1.00 3.52 C ATOM 1476 OE1 GLN A 89 0.755 -18.202 26.944 1.00 65.55 O ATOM 1477 NE2 GLN A 89 0.575 -20.190 27.921 1.00 4.42 N ATOM 0 H GLN A 89 5.089 -17.717 27.039 1.00 64.51 H new ATOM 0 HA GLN A 89 5.259 -20.465 28.009 1.00 4.33 H new ATOM 0 HB2 GLN A 89 3.498 -19.163 25.872 1.00 44.22 H new ATOM 0 HB3 GLN A 89 3.254 -20.755 26.564 1.00 44.22 H new ATOM 0 HG2 GLN A 89 2.905 -19.695 28.808 1.00 63.34 H new ATOM 0 HG3 GLN A 89 3.078 -18.116 28.068 1.00 63.34 H new ATOM 0 HE21 GLN A 89 1.035 -20.954 28.416 1.00 4.42 H new ATOM 0 HE22 GLN A 89 -0.424 -20.240 27.721 1.00 4.42 H new ATOM 1486 N HIS A 90 7.237 -20.395 26.055 1.00 12.31 N ATOM 1487 CA HIS A 90 8.132 -21.020 25.056 1.00 30.23 C ATOM 1488 C HIS A 90 8.001 -20.384 23.652 1.00 65.23 C ATOM 1489 O HIS A 90 8.684 -20.799 22.713 1.00 73.25 O ATOM 1490 CB HIS A 90 7.871 -22.538 24.978 1.00 32.32 C ATOM 1491 CG HIS A 90 8.816 -23.277 24.072 1.00 14.43 C ATOM 1492 ND1 HIS A 90 8.490 -23.657 22.787 1.00 51.20 N ATOM 1493 CD2 HIS A 90 10.086 -23.708 24.271 1.00 21.34 C ATOM 1494 CE1 HIS A 90 9.509 -24.288 22.241 1.00 73.41 C ATOM 1495 NE2 HIS A 90 10.490 -24.333 23.118 1.00 62.00 N ATOM 0 H HIS A 90 7.732 -19.914 26.806 1.00 12.31 H new ATOM 0 HA HIS A 90 9.153 -20.841 25.393 1.00 30.23 H new ATOM 0 HB2 HIS A 90 7.941 -22.960 25.981 1.00 32.32 H new ATOM 0 HB3 HIS A 90 6.850 -22.703 24.633 1.00 32.32 H new ATOM 0 HD2 HIS A 90 10.671 -23.583 25.170 1.00 21.34 H new ATOM 0 HE1 HIS A 90 9.535 -24.699 21.243 1.00 73.41 H new ATOM 0 HE2 HIS A 90 11.402 -24.763 22.965 1.00 62.00 H new ATOM 1504 N GLU A 91 7.144 -19.370 23.525 1.00 72.12 N ATOM 1505 CA GLU A 91 6.897 -18.696 22.243 1.00 4.34 C ATOM 1506 C GLU A 91 6.553 -19.706 21.132 1.00 22.54 C ATOM 1507 O GLU A 91 7.297 -19.861 20.156 1.00 42.10 O ATOM 1508 CB GLU A 91 8.111 -17.831 21.840 1.00 55.15 C ATOM 1509 CG GLU A 91 8.414 -16.677 22.801 1.00 14.04 C ATOM 1510 CD GLU A 91 8.895 -17.139 24.172 1.00 74.12 C ATOM 1511 OE1 GLU A 91 8.049 -17.382 25.060 1.00 3.32 O ATOM 1512 OE2 GLU A 91 10.122 -17.265 24.372 1.00 40.34 O1- ATOM 0 H GLU A 91 6.602 -18.992 24.302 1.00 72.12 H new ATOM 0 HA GLU A 91 6.035 -18.042 22.372 1.00 4.34 H new ATOM 0 HB2 GLU A 91 8.991 -18.471 21.772 1.00 55.15 H new ATOM 0 HB3 GLU A 91 7.936 -17.422 20.845 1.00 55.15 H new ATOM 0 HG2 GLU A 91 9.173 -16.034 22.356 1.00 14.04 H new ATOM 0 HG3 GLU A 91 7.516 -16.072 22.925 1.00 14.04 H new ATOM 1519 N ALA A 92 5.432 -20.408 21.300 1.00 33.45 N ATOM 1520 CA ALA A 92 4.984 -21.414 20.324 1.00 33.13 C ATOM 1521 C ALA A 92 4.032 -20.809 19.271 1.00 65.12 C ATOM 1522 O ALA A 92 4.525 -20.263 18.260 1.00 36.60 O ATOM 1523 CB ALA A 92 4.315 -22.579 21.051 1.00 63.44 C ATOM 1524 OXT ALA A 92 2.796 -20.882 19.458 1.00 36.60 O ATOM 0 H ALA A 92 4.813 -20.301 22.104 1.00 33.45 H new ATOM 0 HA ALA A 92 5.861 -21.780 19.790 1.00 33.13 H new ATOM 0 HB1 ALA A 92 3.985 -23.321 20.324 1.00 63.44 H new ATOM 0 HB2 ALA A 92 5.027 -23.036 21.738 1.00 63.44 H new ATOM 0 HB3 ALA A 92 3.455 -22.213 21.611 1.00 63.44 H new TER 1530 ALA A 92