USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1286 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: B 26 THR OG1 : rot 180:sc= 0.507 USER MOD Set 1.2: B 29 GLN : amide:sc= 0.285 X(o=0.79,f=0.91) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.311 K(o=-2.4,f=-3.6) USER MOD Set 2.2: A 75 HIS : no HE2:sc= -2.67! C(o=-2.4!,f=-6.5!) USER MOD Set 3.1: A 26 THR OG1 : rot -154:sc= 0.466 USER MOD Set 3.2: A 29 GLN : amide:sc= 0.503 X(o=0.97,f=0.62) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.571 (180deg=0.396) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc=-0.00621 (180deg=-0.0992) USER MOD Single : A 3 MET CE :methyl 164:sc= -0.0823 (180deg=-0.42) USER MOD Single : A 5 LYS NZ :NH3+ -112:sc= 1.21 (180deg=0.0724) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.06! K(o=-2.1!,f=-1.5) USER MOD Single : A 22 THR OG1 : rot 123:sc= 0.409 USER MOD Single : A 27 GLN : amide:sc= 0.618 K(o=0.62,f=-3.5!) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= 0.534 (180deg=0.312) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= 1.32 (180deg=0.677) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -76:sc= -0.736 USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= -0.808 (180deg=-2.53!) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0286) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0796 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0186) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0899 X(o=-0.09,f=-0.09) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= -0.146 X(o=-0.15,f=-0.62) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 160:sc= 1.34 (180deg=0.901) USER MOD Single : B 2 LYS NZ :NH3+ -162:sc= 0.94 (180deg=0.703) USER MOD Single : B 3 MET CE :methyl -167:sc= -0.0366 (180deg=-0.285) USER MOD Single : B 5 LYS NZ :NH3+ -135:sc= 1.24 (180deg=-0.413) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.45) USER MOD Single : B 20 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 22 THR OG1 : rot -40:sc= 0.771 USER MOD Single : B 27 GLN : amide:sc= -0.542 K(o=-0.54,f=-2.4) USER MOD Single : B 28 LYS NZ :NH3+ -135:sc= 0.899 (180deg=0.0761) USER MOD Single : B 31 LYS NZ :NH3+ -168:sc= -0.0056 (180deg=-0.164) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot -71:sc= 0.421 USER MOD Single : B 35 LYS NZ :NH3+ -133:sc= -0.296 (180deg=-1.91!) USER MOD Single : B 37 LYS NZ :NH3+ 135:sc= 0.967 (180deg=-0.045) USER MOD Single : B 40 LYS NZ :NH3+ 174:sc=-0.00503 (180deg=-0.0422) USER MOD Single : B 54 LYS NZ :NH3+ -115:sc= 0.414 (180deg=0.0158) USER MOD Single : B 57 THR OG1 : rot 140:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.678) USER MOD Single : B 72 HIS : no HD1:sc= 0.404 K(o=0.4,f=-2!) USER MOD Single : B 73 HIS : no HD1:sc= -0.0924 X(o=-0.092,f=-0.32) USER MOD Single : B 74 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 76 HIS : no HD1:sc= 0.543 K(o=0.54,f=-2!) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.315 15.432 5.622 1.00 3.22 N ATOM 2 CA MET A 1 11.410 15.935 6.691 1.00 62.12 C ATOM 3 C MET A 1 9.936 15.895 6.214 1.00 14.13 C ATOM 4 O MET A 1 9.572 16.602 5.272 1.00 14.10 O ATOM 5 CB MET A 1 11.838 17.364 7.110 1.00 52.44 C ATOM 6 CG MET A 1 13.262 17.443 7.678 1.00 22.00 C ATOM 7 SD MET A 1 13.777 19.132 8.064 1.00 20.42 S ATOM 8 CE MET A 1 15.484 18.875 8.577 1.00 22.21 C ATOM 0 H1 MET A 1 13.268 15.288 6.013 1.00 3.22 H new ATOM 0 H2 MET A 1 11.951 14.529 5.256 1.00 3.22 H new ATOM 0 H3 MET A 1 12.359 16.127 4.849 1.00 3.22 H new ATOM 0 HA MET A 1 11.487 15.289 7.565 1.00 62.12 H new ATOM 0 HB2 MET A 1 11.765 18.023 6.245 1.00 52.44 H new ATOM 0 HB3 MET A 1 11.138 17.739 7.857 1.00 52.44 H new ATOM 0 HG2 MET A 1 13.321 16.836 8.581 1.00 22.00 H new ATOM 0 HG3 MET A 1 13.958 17.012 6.959 1.00 22.00 H new ATOM 0 HE1 MET A 1 15.931 19.832 8.845 1.00 22.21 H new ATOM 0 HE2 MET A 1 15.508 18.208 9.439 1.00 22.21 H new ATOM 0 HE3 MET A 1 16.047 18.429 7.757 1.00 22.21 H new ATOM 20 N LYS A 2 9.125 15.010 6.849 1.00 71.34 N ATOM 21 CA LYS A 2 7.656 14.871 6.605 1.00 34.44 C ATOM 22 C LYS A 2 7.290 14.335 5.182 1.00 24.14 C ATOM 23 O LYS A 2 6.169 14.546 4.699 1.00 13.33 O ATOM 24 CB LYS A 2 6.908 16.208 6.930 1.00 2.30 C ATOM 25 CG LYS A 2 6.931 16.609 8.425 1.00 42.23 C ATOM 26 CD LYS A 2 6.184 15.595 9.322 1.00 3.33 C ATOM 27 CE LYS A 2 6.224 15.980 10.812 1.00 52.21 C ATOM 28 NZ LYS A 2 7.615 16.057 11.343 1.00 22.34 N ATOM 0 H LYS A 2 9.473 14.362 7.555 1.00 71.34 H new ATOM 0 HA LYS A 2 7.310 14.100 7.293 1.00 34.44 H new ATOM 0 HB2 LYS A 2 7.355 17.011 6.344 1.00 2.30 H new ATOM 0 HB3 LYS A 2 5.871 16.117 6.607 1.00 2.30 H new ATOM 0 HG2 LYS A 2 7.965 16.692 8.760 1.00 42.23 H new ATOM 0 HG3 LYS A 2 6.478 17.594 8.541 1.00 42.23 H new ATOM 0 HD2 LYS A 2 5.146 15.524 8.997 1.00 3.33 H new ATOM 0 HD3 LYS A 2 6.627 14.607 9.194 1.00 3.33 H new ATOM 0 HE2 LYS A 2 5.732 16.943 10.949 1.00 52.21 H new ATOM 0 HE3 LYS A 2 5.658 15.248 11.389 1.00 52.21 H new ATOM 0 HZ1 LYS A 2 7.586 16.185 12.375 1.00 22.34 H new ATOM 0 HZ2 LYS A 2 8.122 15.177 11.117 1.00 22.34 H new ATOM 0 HZ3 LYS A 2 8.109 16.862 10.908 1.00 22.34 H new ATOM 42 N MET A 3 8.222 13.598 4.546 1.00 1.23 N ATOM 43 CA MET A 3 7.964 12.906 3.257 1.00 21.32 C ATOM 44 C MET A 3 7.089 11.645 3.465 1.00 21.41 C ATOM 45 O MET A 3 7.082 11.054 4.555 1.00 75.33 O ATOM 46 CB MET A 3 9.301 12.509 2.570 1.00 35.20 C ATOM 47 CG MET A 3 10.198 13.689 2.180 1.00 3.12 C ATOM 48 SD MET A 3 11.744 13.177 1.387 1.00 62.14 S ATOM 49 CE MET A 3 11.156 12.343 -0.093 1.00 61.21 C ATOM 0 H MET A 3 9.168 13.463 4.903 1.00 1.23 H new ATOM 0 HA MET A 3 7.425 13.600 2.613 1.00 21.32 H new ATOM 0 HB2 MET A 3 9.857 11.854 3.240 1.00 35.20 H new ATOM 0 HB3 MET A 3 9.075 11.931 1.674 1.00 35.20 H new ATOM 0 HG2 MET A 3 9.650 14.346 1.504 1.00 3.12 H new ATOM 0 HG3 MET A 3 10.430 14.271 3.072 1.00 3.12 H new ATOM 0 HE1 MET A 3 11.978 12.233 -0.800 1.00 61.21 H new ATOM 0 HE2 MET A 3 10.772 11.358 0.173 1.00 61.21 H new ATOM 0 HE3 MET A 3 10.361 12.931 -0.550 1.00 61.21 H new ATOM 59 N LEU A 4 6.366 11.242 2.394 1.00 71.32 N ATOM 60 CA LEU A 4 5.487 10.042 2.401 1.00 72.21 C ATOM 61 C LEU A 4 6.313 8.772 2.735 1.00 22.31 C ATOM 62 O LEU A 4 5.871 7.931 3.514 1.00 62.41 O ATOM 63 CB LEU A 4 4.753 9.908 1.021 1.00 72.23 C ATOM 64 CG LEU A 4 3.460 9.004 0.940 1.00 74.13 C ATOM 65 CD1 LEU A 4 3.761 7.490 1.003 1.00 4.15 C ATOM 66 CD2 LEU A 4 2.427 9.417 2.012 1.00 63.03 C ATOM 0 H LEU A 4 6.373 11.736 1.502 1.00 71.32 H new ATOM 0 HA LEU A 4 4.728 10.155 3.175 1.00 72.21 H new ATOM 0 HB2 LEU A 4 4.478 10.910 0.693 1.00 72.23 H new ATOM 0 HB3 LEU A 4 5.473 9.523 0.299 1.00 72.23 H new ATOM 0 HG LEU A 4 3.028 9.180 -0.045 1.00 74.13 H new ATOM 0 HD11 LEU A 4 2.827 6.931 0.942 1.00 4.15 H new ATOM 0 HD12 LEU A 4 4.406 7.212 0.169 1.00 4.15 H new ATOM 0 HD13 LEU A 4 4.263 7.258 1.942 1.00 4.15 H new ATOM 0 HD21 LEU A 4 1.547 8.779 1.934 1.00 63.03 H new ATOM 0 HD22 LEU A 4 2.868 9.308 3.003 1.00 63.03 H new ATOM 0 HD23 LEU A 4 2.137 10.456 1.856 1.00 63.03 H new ATOM 78 N LYS A 5 7.519 8.671 2.147 1.00 74.41 N ATOM 79 CA LYS A 5 8.453 7.547 2.400 1.00 54.34 C ATOM 80 C LYS A 5 8.860 7.418 3.899 1.00 41.03 C ATOM 81 O LYS A 5 8.998 6.302 4.418 1.00 20.21 O ATOM 82 CB LYS A 5 9.728 7.688 1.524 1.00 54.34 C ATOM 83 CG LYS A 5 9.512 7.470 0.008 1.00 42.51 C ATOM 84 CD LYS A 5 10.853 7.287 -0.744 1.00 75.24 C ATOM 85 CE LYS A 5 10.667 6.948 -2.231 1.00 30.10 C ATOM 86 NZ LYS A 5 10.049 8.064 -2.980 1.00 53.13 N ATOM 0 H LYS A 5 7.877 9.360 1.486 1.00 74.41 H new ATOM 0 HA LYS A 5 7.916 6.638 2.130 1.00 54.34 H new ATOM 0 HB2 LYS A 5 10.146 8.683 1.676 1.00 54.34 H new ATOM 0 HB3 LYS A 5 10.472 6.973 1.875 1.00 54.34 H new ATOM 0 HG2 LYS A 5 8.886 6.592 -0.147 1.00 42.51 H new ATOM 0 HG3 LYS A 5 8.975 8.322 -0.409 1.00 42.51 H new ATOM 0 HD2 LYS A 5 11.440 8.201 -0.656 1.00 75.24 H new ATOM 0 HD3 LYS A 5 11.426 6.493 -0.265 1.00 75.24 H new ATOM 0 HE2 LYS A 5 11.634 6.707 -2.672 1.00 30.10 H new ATOM 0 HE3 LYS A 5 10.044 6.059 -2.325 1.00 30.10 H new ATOM 0 HZ1 LYS A 5 9.093 7.791 -3.284 1.00 53.13 H new ATOM 0 HZ2 LYS A 5 9.991 8.903 -2.368 1.00 53.13 H new ATOM 0 HZ3 LYS A 5 10.628 8.284 -3.815 1.00 53.13 H new ATOM 100 N GLU A 6 9.037 8.565 4.574 1.00 3.52 N ATOM 101 CA GLU A 6 9.521 8.626 5.972 1.00 74.32 C ATOM 102 C GLU A 6 8.404 8.272 6.983 1.00 71.21 C ATOM 103 O GLU A 6 8.639 7.523 7.937 1.00 34.21 O ATOM 104 CB GLU A 6 10.096 10.036 6.262 1.00 74.54 C ATOM 105 CG GLU A 6 11.248 10.451 5.329 1.00 12.42 C ATOM 106 CD GLU A 6 11.789 11.850 5.655 1.00 44.22 C ATOM 107 OE1 GLU A 6 11.026 12.823 5.518 1.00 21.32 O ATOM 108 OE2 GLU A 6 12.961 11.987 6.062 1.00 22.11 O ATOM 0 H GLU A 6 8.849 9.482 4.169 1.00 3.52 H new ATOM 0 HA GLU A 6 10.309 7.882 6.093 1.00 74.32 H new ATOM 0 HB2 GLU A 6 9.293 10.768 6.177 1.00 74.54 H new ATOM 0 HB3 GLU A 6 10.449 10.067 7.293 1.00 74.54 H new ATOM 0 HG2 GLU A 6 12.056 9.724 5.408 1.00 12.42 H new ATOM 0 HG3 GLU A 6 10.901 10.430 4.296 1.00 12.42 H new ATOM 115 N LYS A 7 7.190 8.815 6.767 1.00 4.54 N ATOM 116 CA LYS A 7 6.027 8.532 7.645 1.00 32.42 C ATOM 117 C LYS A 7 5.527 7.075 7.480 1.00 22.43 C ATOM 118 O LYS A 7 5.173 6.424 8.464 1.00 32.11 O ATOM 119 CB LYS A 7 4.873 9.531 7.390 1.00 31.40 C ATOM 120 CG LYS A 7 4.310 9.524 5.951 1.00 53.41 C ATOM 121 CD LYS A 7 3.006 10.327 5.816 1.00 30.54 C ATOM 122 CE LYS A 7 3.166 11.819 6.192 1.00 4.12 C ATOM 123 NZ LYS A 7 1.875 12.549 6.161 1.00 15.30 N ATOM 0 H LYS A 7 6.985 9.451 5.996 1.00 4.54 H new ATOM 0 HA LYS A 7 6.367 8.656 8.673 1.00 32.42 H new ATOM 0 HB2 LYS A 7 4.061 9.310 8.083 1.00 31.40 H new ATOM 0 HB3 LYS A 7 5.225 10.536 7.622 1.00 31.40 H new ATOM 0 HG2 LYS A 7 5.057 9.936 5.272 1.00 53.41 H new ATOM 0 HG3 LYS A 7 4.131 8.494 5.641 1.00 53.41 H new ATOM 0 HD2 LYS A 7 2.647 10.254 4.789 1.00 30.54 H new ATOM 0 HD3 LYS A 7 2.243 9.879 6.453 1.00 30.54 H new ATOM 0 HE2 LYS A 7 3.600 11.896 7.189 1.00 4.12 H new ATOM 0 HE3 LYS A 7 3.865 12.292 5.502 1.00 4.12 H new ATOM 0 HZ1 LYS A 7 2.032 13.544 6.420 1.00 15.30 H new ATOM 0 HZ2 LYS A 7 1.471 12.500 5.204 1.00 15.30 H new ATOM 0 HZ3 LYS A 7 1.215 12.116 6.838 1.00 15.30 H new ATOM 137 N ALA A 8 5.485 6.587 6.220 1.00 24.24 N ATOM 138 CA ALA A 8 5.152 5.178 5.905 1.00 35.04 C ATOM 139 C ALA A 8 6.228 4.221 6.473 1.00 11.40 C ATOM 140 O ALA A 8 5.923 3.092 6.854 1.00 33.43 O ATOM 141 CB ALA A 8 5.004 4.986 4.387 1.00 53.51 C ATOM 0 H ALA A 8 5.680 7.155 5.396 1.00 24.24 H new ATOM 0 HA ALA A 8 4.199 4.938 6.377 1.00 35.04 H new ATOM 0 HB1 ALA A 8 4.759 3.945 4.174 1.00 53.51 H new ATOM 0 HB2 ALA A 8 4.207 5.630 4.015 1.00 53.51 H new ATOM 0 HB3 ALA A 8 5.941 5.247 3.894 1.00 53.51 H new ATOM 147 N GLY A 9 7.487 4.713 6.514 1.00 32.52 N ATOM 148 CA GLY A 9 8.612 3.994 7.134 1.00 21.43 C ATOM 149 C GLY A 9 8.540 3.935 8.672 1.00 72.30 C ATOM 150 O GLY A 9 9.015 2.970 9.288 1.00 32.10 O ATOM 0 H GLY A 9 7.746 5.617 6.118 1.00 32.52 H new ATOM 0 HA2 GLY A 9 8.642 2.977 6.742 1.00 21.43 H new ATOM 0 HA3 GLY A 9 9.545 4.476 6.841 1.00 21.43 H new ATOM 154 N ALA A 10 7.966 4.987 9.288 1.00 71.00 N ATOM 155 CA ALA A 10 7.728 5.047 10.753 1.00 63.31 C ATOM 156 C ALA A 10 6.607 4.064 11.176 1.00 63.14 C ATOM 157 O ALA A 10 6.742 3.325 12.165 1.00 70.13 O ATOM 158 CB ALA A 10 7.366 6.481 11.169 1.00 74.43 C ATOM 0 H ALA A 10 7.653 5.820 8.790 1.00 71.00 H new ATOM 0 HA ALA A 10 8.645 4.750 11.261 1.00 63.31 H new ATOM 0 HB1 ALA A 10 7.193 6.515 12.245 1.00 74.43 H new ATOM 0 HB2 ALA A 10 8.185 7.152 10.912 1.00 74.43 H new ATOM 0 HB3 ALA A 10 6.462 6.794 10.646 1.00 74.43 H new ATOM 164 N LEU A 11 5.502 4.072 10.400 1.00 32.12 N ATOM 165 CA LEU A 11 4.393 3.097 10.535 1.00 3.34 C ATOM 166 C LEU A 11 4.898 1.658 10.278 1.00 45.20 C ATOM 167 O LEU A 11 4.479 0.714 10.948 1.00 25.43 O ATOM 168 CB LEU A 11 3.252 3.455 9.539 1.00 40.13 C ATOM 169 CG LEU A 11 2.572 4.847 9.748 1.00 2.03 C ATOM 170 CD1 LEU A 11 1.579 5.170 8.608 1.00 22.53 C ATOM 171 CD2 LEU A 11 1.887 4.928 11.129 1.00 12.22 C ATOM 0 H LEU A 11 5.351 4.757 9.659 1.00 32.12 H new ATOM 0 HA LEU A 11 4.006 3.146 11.553 1.00 3.34 H new ATOM 0 HB2 LEU A 11 3.655 3.418 8.527 1.00 40.13 H new ATOM 0 HB3 LEU A 11 2.484 2.684 9.605 1.00 40.13 H new ATOM 0 HG LEU A 11 3.356 5.604 9.720 1.00 2.03 H new ATOM 0 HD11 LEU A 11 1.125 6.145 8.786 1.00 22.53 H new ATOM 0 HD12 LEU A 11 2.110 5.186 7.656 1.00 22.53 H new ATOM 0 HD13 LEU A 11 0.801 4.408 8.577 1.00 22.53 H new ATOM 0 HD21 LEU A 11 1.422 5.907 11.248 1.00 12.22 H new ATOM 0 HD22 LEU A 11 1.124 4.153 11.203 1.00 12.22 H new ATOM 0 HD23 LEU A 11 2.630 4.782 11.913 1.00 12.22 H new ATOM 183 N ALA A 12 5.811 1.525 9.308 1.00 13.55 N ATOM 184 CA ALA A 12 6.450 0.241 8.959 1.00 63.33 C ATOM 185 C ALA A 12 7.236 -0.377 10.132 1.00 65.15 C ATOM 186 O ALA A 12 7.123 -1.575 10.392 1.00 75.35 O ATOM 187 CB ALA A 12 7.382 0.427 7.759 1.00 34.44 C ATOM 0 H ALA A 12 6.132 2.307 8.737 1.00 13.55 H new ATOM 0 HA ALA A 12 5.646 -0.451 8.709 1.00 63.33 H new ATOM 0 HB1 ALA A 12 7.849 -0.526 7.509 1.00 34.44 H new ATOM 0 HB2 ALA A 12 6.808 0.785 6.904 1.00 34.44 H new ATOM 0 HB3 ALA A 12 8.154 1.155 8.008 1.00 34.44 H new ATOM 193 N GLY A 13 8.035 0.468 10.816 1.00 42.10 N ATOM 194 CA GLY A 13 8.873 0.034 11.945 1.00 30.25 C ATOM 195 C GLY A 13 8.103 -0.684 13.064 1.00 51.12 C ATOM 196 O GLY A 13 8.513 -1.754 13.520 1.00 13.21 O ATOM 0 H GLY A 13 8.115 1.462 10.601 1.00 42.10 H new ATOM 0 HA2 GLY A 13 9.651 -0.631 11.570 1.00 30.25 H new ATOM 0 HA3 GLY A 13 9.375 0.905 12.366 1.00 30.25 H new ATOM 200 N GLN A 14 6.973 -0.089 13.478 1.00 23.42 N ATOM 201 CA GLN A 14 6.120 -0.623 14.571 1.00 31.31 C ATOM 202 C GLN A 14 5.291 -1.867 14.136 1.00 43.21 C ATOM 203 O GLN A 14 5.124 -2.799 14.927 1.00 12.51 O ATOM 204 CB GLN A 14 5.204 0.501 15.138 1.00 73.43 C ATOM 205 CG GLN A 14 4.417 1.282 14.068 1.00 30.13 C ATOM 206 CD GLN A 14 3.576 2.432 14.619 1.00 42.13 C ATOM 207 OE1 GLN A 14 3.874 3.003 15.659 1.00 61.43 O ATOM 208 NE2 GLN A 14 2.553 2.820 13.893 1.00 64.14 N ATOM 0 H GLN A 14 6.618 0.776 13.070 1.00 23.42 H new ATOM 0 HA GLN A 14 6.785 -0.967 15.363 1.00 31.31 H new ATOM 0 HB2 GLN A 14 4.497 0.058 15.840 1.00 73.43 H new ATOM 0 HB3 GLN A 14 5.818 1.202 15.704 1.00 73.43 H new ATOM 0 HG2 GLN A 14 5.119 1.680 13.336 1.00 30.13 H new ATOM 0 HG3 GLN A 14 3.762 0.590 13.538 1.00 30.13 H new ATOM 0 HE21 GLN A 14 2.325 2.328 13.029 1.00 64.14 H new ATOM 0 HE22 GLN A 14 1.987 3.614 14.193 1.00 64.14 H new ATOM 217 N ILE A 15 4.773 -1.874 12.885 1.00 42.50 N ATOM 218 CA ILE A 15 3.965 -3.013 12.354 1.00 42.33 C ATOM 219 C ILE A 15 4.851 -4.269 12.135 1.00 1.33 C ATOM 220 O ILE A 15 4.455 -5.385 12.488 1.00 44.52 O ATOM 221 CB ILE A 15 3.208 -2.611 11.029 1.00 24.34 C ATOM 222 CG1 ILE A 15 2.212 -1.437 11.311 1.00 52.33 C ATOM 223 CG2 ILE A 15 2.462 -3.822 10.399 1.00 40.14 C ATOM 224 CD1 ILE A 15 1.526 -0.869 10.079 1.00 33.23 C ATOM 0 H ILE A 15 4.896 -1.109 12.221 1.00 42.50 H new ATOM 0 HA ILE A 15 3.211 -3.261 13.101 1.00 42.33 H new ATOM 0 HB ILE A 15 3.955 -2.279 10.308 1.00 24.34 H new ATOM 0 HG12 ILE A 15 1.448 -1.787 12.005 1.00 52.33 H new ATOM 0 HG13 ILE A 15 2.753 -0.633 11.811 1.00 52.33 H new ATOM 0 HG21 ILE A 15 1.954 -3.503 9.489 1.00 40.14 H new ATOM 0 HG22 ILE A 15 3.180 -4.606 10.158 1.00 40.14 H new ATOM 0 HG23 ILE A 15 1.729 -4.207 11.108 1.00 40.14 H new ATOM 0 HD11 ILE A 15 0.856 -0.062 10.375 1.00 33.23 H new ATOM 0 HD12 ILE A 15 2.277 -0.483 9.390 1.00 33.23 H new ATOM 0 HD13 ILE A 15 0.952 -1.655 9.587 1.00 33.23 H new ATOM 236 N TRP A 16 6.055 -4.057 11.567 1.00 42.11 N ATOM 237 CA TRP A 16 7.111 -5.100 11.455 1.00 22.21 C ATOM 238 C TRP A 16 7.448 -5.680 12.852 1.00 63.41 C ATOM 239 O TRP A 16 7.580 -6.893 13.022 1.00 60.41 O ATOM 240 CB TRP A 16 8.397 -4.497 10.800 1.00 42.33 C ATOM 241 CG TRP A 16 9.478 -5.510 10.444 1.00 64.41 C ATOM 242 CD1 TRP A 16 9.709 -6.064 9.212 1.00 60.04 C ATOM 243 CD2 TRP A 16 10.470 -6.087 11.324 1.00 12.03 C ATOM 244 NE1 TRP A 16 10.751 -6.958 9.281 1.00 42.11 N ATOM 245 CE2 TRP A 16 11.232 -6.988 10.562 1.00 63.33 C ATOM 246 CE3 TRP A 16 10.775 -5.936 12.685 1.00 11.31 C ATOM 247 CZ2 TRP A 16 12.276 -7.732 11.111 1.00 24.53 C ATOM 248 CZ3 TRP A 16 11.807 -6.671 13.224 1.00 22.43 C ATOM 249 CH2 TRP A 16 12.546 -7.561 12.441 1.00 61.14 C ATOM 0 H TRP A 16 6.329 -3.158 11.170 1.00 42.11 H new ATOM 0 HA TRP A 16 6.737 -5.906 10.823 1.00 22.21 H new ATOM 0 HB2 TRP A 16 8.108 -3.964 9.894 1.00 42.33 H new ATOM 0 HB3 TRP A 16 8.822 -3.760 11.482 1.00 42.33 H new ATOM 0 HD1 TRP A 16 9.153 -5.832 8.316 1.00 60.04 H new ATOM 0 HE1 TRP A 16 11.109 -7.511 8.502 1.00 42.11 H new ATOM 0 HE3 TRP A 16 10.209 -5.253 13.301 1.00 11.31 H new ATOM 0 HZ2 TRP A 16 12.851 -8.419 10.507 1.00 24.53 H new ATOM 0 HZ3 TRP A 16 12.049 -6.557 14.270 1.00 22.43 H new ATOM 0 HH2 TRP A 16 13.347 -8.126 12.895 1.00 61.14 H new ATOM 260 N GLU A 17 7.603 -4.772 13.833 1.00 4.22 N ATOM 261 CA GLU A 17 7.948 -5.117 15.235 1.00 73.13 C ATOM 262 C GLU A 17 6.809 -5.938 15.912 1.00 5.24 C ATOM 263 O GLU A 17 7.069 -6.799 16.760 1.00 54.51 O ATOM 264 CB GLU A 17 8.265 -3.809 16.040 1.00 1.32 C ATOM 265 CG GLU A 17 9.502 -3.866 16.970 1.00 63.12 C ATOM 266 CD GLU A 17 9.420 -4.931 18.075 1.00 60.43 C ATOM 267 OE1 GLU A 17 8.600 -4.772 19.005 1.00 41.43 O ATOM 268 OE2 GLU A 17 10.182 -5.924 18.029 1.00 51.42 O ATOM 0 H GLU A 17 7.493 -3.770 13.680 1.00 4.22 H new ATOM 0 HA GLU A 17 8.837 -5.748 15.231 1.00 73.13 H new ATOM 0 HB2 GLU A 17 8.407 -2.995 15.330 1.00 1.32 H new ATOM 0 HB3 GLU A 17 7.393 -3.557 16.644 1.00 1.32 H new ATOM 0 HG2 GLU A 17 10.388 -4.057 16.364 1.00 63.12 H new ATOM 0 HG3 GLU A 17 9.637 -2.889 17.434 1.00 63.12 H new ATOM 275 N ALA A 18 5.550 -5.659 15.518 1.00 64.42 N ATOM 276 CA ALA A 18 4.360 -6.429 15.970 1.00 13.45 C ATOM 277 C ALA A 18 4.380 -7.871 15.399 1.00 3.13 C ATOM 278 O ALA A 18 3.951 -8.825 16.058 1.00 30.12 O ATOM 279 CB ALA A 18 3.068 -5.688 15.564 1.00 62.44 C ATOM 0 H ALA A 18 5.324 -4.897 14.879 1.00 64.42 H new ATOM 0 HA ALA A 18 4.388 -6.508 17.057 1.00 13.45 H new ATOM 0 HB1 ALA A 18 2.201 -6.258 15.898 1.00 62.44 H new ATOM 0 HB2 ALA A 18 3.054 -4.701 16.027 1.00 62.44 H new ATOM 0 HB3 ALA A 18 3.035 -5.581 14.480 1.00 62.44 H new ATOM 285 N LEU A 19 4.888 -8.000 14.160 1.00 53.14 N ATOM 286 CA LEU A 19 5.086 -9.304 13.484 1.00 33.30 C ATOM 287 C LEU A 19 6.418 -9.989 13.914 1.00 63.24 C ATOM 288 O LEU A 19 6.619 -11.181 13.657 1.00 1.44 O ATOM 289 CB LEU A 19 5.049 -9.092 11.949 1.00 72.14 C ATOM 290 CG LEU A 19 3.759 -8.416 11.383 1.00 53.42 C ATOM 291 CD1 LEU A 19 3.890 -8.139 9.869 1.00 53.03 C ATOM 292 CD2 LEU A 19 2.504 -9.262 11.706 1.00 31.32 C ATOM 0 H LEU A 19 5.175 -7.202 13.594 1.00 53.14 H new ATOM 0 HA LEU A 19 4.278 -9.972 13.783 1.00 33.30 H new ATOM 0 HB2 LEU A 19 5.908 -8.485 11.665 1.00 72.14 H new ATOM 0 HB3 LEU A 19 5.170 -10.061 11.465 1.00 72.14 H new ATOM 0 HG LEU A 19 3.639 -7.451 11.876 1.00 53.42 H new ATOM 0 HD11 LEU A 19 2.977 -7.668 9.505 1.00 53.03 H new ATOM 0 HD12 LEU A 19 4.736 -7.474 9.693 1.00 53.03 H new ATOM 0 HD13 LEU A 19 4.050 -9.078 9.340 1.00 53.03 H new ATOM 0 HD21 LEU A 19 1.620 -8.770 11.301 1.00 31.32 H new ATOM 0 HD22 LEU A 19 2.606 -10.250 11.258 1.00 31.32 H new ATOM 0 HD23 LEU A 19 2.401 -9.362 12.786 1.00 31.32 H new ATOM 304 N ASN A 20 7.342 -9.223 14.534 1.00 61.40 N ATOM 305 CA ASN A 20 8.573 -9.780 15.126 1.00 24.42 C ATOM 306 C ASN A 20 8.216 -10.589 16.395 1.00 44.40 C ATOM 307 O ASN A 20 7.457 -10.118 17.247 1.00 42.20 O ATOM 308 CB ASN A 20 9.600 -8.662 15.442 1.00 21.02 C ATOM 309 CG ASN A 20 10.925 -9.197 16.002 1.00 34.14 C ATOM 310 OD1 ASN A 20 11.361 -10.299 15.665 1.00 24.33 O ATOM 311 ND2 ASN A 20 11.573 -8.432 16.859 1.00 13.41 N ATOM 0 H ASN A 20 7.255 -8.212 14.637 1.00 61.40 H new ATOM 0 HA ASN A 20 9.041 -10.448 14.403 1.00 24.42 H new ATOM 0 HB2 ASN A 20 9.800 -8.094 14.533 1.00 21.02 H new ATOM 0 HB3 ASN A 20 9.163 -7.969 16.161 1.00 21.02 H new ATOM 0 HD21 ASN A 20 12.456 -8.749 17.259 1.00 13.41 H new ATOM 0 HD22 ASN A 20 11.191 -7.524 17.122 1.00 13.41 H new ATOM 318 N GLY A 21 8.741 -11.825 16.480 1.00 54.22 N ATOM 319 CA GLY A 21 8.362 -12.778 17.534 1.00 72.52 C ATOM 320 C GLY A 21 7.135 -13.627 17.158 1.00 73.23 C ATOM 321 O GLY A 21 7.087 -14.823 17.446 1.00 35.11 O ATOM 0 H GLY A 21 9.434 -12.187 15.825 1.00 54.22 H new ATOM 0 HA2 GLY A 21 9.205 -13.438 17.741 1.00 72.52 H new ATOM 0 HA3 GLY A 21 8.152 -12.231 18.453 1.00 72.52 H new ATOM 325 N THR A 22 6.146 -13.000 16.486 1.00 73.55 N ATOM 326 CA THR A 22 4.874 -13.655 16.089 1.00 41.02 C ATOM 327 C THR A 22 5.016 -14.327 14.701 1.00 51.12 C ATOM 328 O THR A 22 5.734 -13.828 13.832 1.00 5.32 O ATOM 329 CB THR A 22 3.699 -12.607 16.026 1.00 74.34 C ATOM 330 OG1 THR A 22 3.819 -11.664 17.106 1.00 64.42 O ATOM 331 CG2 THR A 22 2.306 -13.277 16.103 1.00 31.34 C ATOM 0 H THR A 22 6.204 -12.022 16.201 1.00 73.55 H new ATOM 0 HA THR A 22 4.646 -14.411 16.841 1.00 41.02 H new ATOM 0 HB THR A 22 3.780 -12.101 15.064 1.00 74.34 H new ATOM 0 HG1 THR A 22 3.862 -10.755 16.743 1.00 64.42 H new ATOM 0 HG21 THR A 22 1.531 -12.512 16.056 1.00 31.34 H new ATOM 0 HG22 THR A 22 2.187 -13.966 15.267 1.00 31.34 H new ATOM 0 HG23 THR A 22 2.217 -13.825 17.041 1.00 31.34 H new ATOM 339 N GLU A 23 4.284 -15.424 14.482 1.00 34.42 N ATOM 340 CA GLU A 23 4.312 -16.175 13.198 1.00 3.24 C ATOM 341 C GLU A 23 3.172 -15.709 12.251 1.00 24.20 C ATOM 342 O GLU A 23 3.029 -16.224 11.137 1.00 21.21 O ATOM 343 CB GLU A 23 4.214 -17.710 13.450 1.00 2.24 C ATOM 344 CG GLU A 23 2.941 -18.185 14.194 1.00 11.21 C ATOM 345 CD GLU A 23 2.992 -17.972 15.722 1.00 22.44 C ATOM 346 OE1 GLU A 23 3.723 -18.724 16.403 1.00 41.20 O ATOM 347 OE2 GLU A 23 2.327 -17.045 16.244 1.00 43.52 O ATOM 0 H GLU A 23 3.655 -15.824 15.178 1.00 34.42 H new ATOM 0 HA GLU A 23 5.265 -15.965 12.713 1.00 3.24 H new ATOM 0 HB2 GLU A 23 4.264 -18.222 12.489 1.00 2.24 H new ATOM 0 HB3 GLU A 23 5.087 -18.023 14.024 1.00 2.24 H new ATOM 0 HG2 GLU A 23 2.078 -17.654 13.792 1.00 11.21 H new ATOM 0 HG3 GLU A 23 2.787 -19.245 13.990 1.00 11.21 H new ATOM 354 N GLY A 24 2.375 -14.719 12.706 1.00 43.22 N ATOM 355 CA GLY A 24 1.248 -14.186 11.929 1.00 34.32 C ATOM 356 C GLY A 24 0.181 -13.538 12.808 1.00 62.12 C ATOM 357 O GLY A 24 -0.163 -14.078 13.862 1.00 72.11 O ATOM 0 H GLY A 24 2.497 -14.273 13.615 1.00 43.22 H new ATOM 0 HA2 GLY A 24 1.620 -13.451 11.215 1.00 34.32 H new ATOM 0 HA3 GLY A 24 0.796 -14.993 11.351 1.00 34.32 H new ATOM 361 N LEU A 25 -0.372 -12.395 12.362 1.00 72.25 N ATOM 362 CA LEU A 25 -1.373 -11.635 13.139 1.00 30.44 C ATOM 363 C LEU A 25 -2.315 -10.849 12.186 1.00 55.31 C ATOM 364 O LEU A 25 -1.905 -10.466 11.085 1.00 41.45 O ATOM 365 CB LEU A 25 -0.641 -10.685 14.142 1.00 21.35 C ATOM 366 CG LEU A 25 -1.498 -10.142 15.329 1.00 3.33 C ATOM 367 CD1 LEU A 25 -2.006 -11.299 16.219 1.00 13.12 C ATOM 368 CD2 LEU A 25 -0.710 -9.101 16.163 1.00 21.35 C ATOM 0 H LEU A 25 -0.142 -11.974 11.462 1.00 72.25 H new ATOM 0 HA LEU A 25 -1.993 -12.324 13.712 1.00 30.44 H new ATOM 0 HB2 LEU A 25 0.216 -11.217 14.554 1.00 21.35 H new ATOM 0 HB3 LEU A 25 -0.250 -9.834 13.584 1.00 21.35 H new ATOM 0 HG LEU A 25 -2.367 -9.636 14.907 1.00 3.33 H new ATOM 0 HD11 LEU A 25 -2.600 -10.894 17.038 1.00 13.12 H new ATOM 0 HD12 LEU A 25 -2.621 -11.973 15.623 1.00 13.12 H new ATOM 0 HD13 LEU A 25 -1.155 -11.847 16.624 1.00 13.12 H new ATOM 0 HD21 LEU A 25 -1.334 -8.743 16.981 1.00 21.35 H new ATOM 0 HD22 LEU A 25 0.189 -9.565 16.569 1.00 21.35 H new ATOM 0 HD23 LEU A 25 -0.429 -8.262 15.526 1.00 21.35 H new ATOM 380 N THR A 26 -3.582 -10.620 12.610 1.00 4.10 N ATOM 381 CA THR A 26 -4.594 -9.890 11.787 1.00 25.13 C ATOM 382 C THR A 26 -4.531 -8.364 12.035 1.00 4.32 C ATOM 383 O THR A 26 -4.110 -7.923 13.106 1.00 62.53 O ATOM 384 CB THR A 26 -6.065 -10.372 12.057 1.00 70.31 C ATOM 385 OG1 THR A 26 -6.429 -10.138 13.430 1.00 1.23 O ATOM 386 CG2 THR A 26 -6.260 -11.863 11.715 1.00 50.23 C ATOM 0 H THR A 26 -3.933 -10.928 13.517 1.00 4.10 H new ATOM 0 HA THR A 26 -4.338 -10.114 10.752 1.00 25.13 H new ATOM 0 HB THR A 26 -6.715 -9.791 11.403 1.00 70.31 H new ATOM 0 HG1 THR A 26 -7.126 -10.774 13.697 1.00 1.23 H new ATOM 0 HG21 THR A 26 -7.292 -12.151 11.918 1.00 50.23 H new ATOM 0 HG22 THR A 26 -6.038 -12.026 10.660 1.00 50.23 H new ATOM 0 HG23 THR A 26 -5.588 -12.467 12.325 1.00 50.23 H new ATOM 394 N GLN A 27 -5.015 -7.585 11.041 1.00 54.52 N ATOM 395 CA GLN A 27 -4.940 -6.098 11.011 1.00 72.14 C ATOM 396 C GLN A 27 -5.459 -5.413 12.310 1.00 61.13 C ATOM 397 O GLN A 27 -4.858 -4.451 12.795 1.00 20.42 O ATOM 398 CB GLN A 27 -5.728 -5.581 9.770 1.00 25.12 C ATOM 399 CG GLN A 27 -7.237 -5.921 9.777 1.00 44.35 C ATOM 400 CD GLN A 27 -7.976 -5.461 8.523 1.00 62.51 C ATOM 401 OE1 GLN A 27 -8.116 -6.207 7.561 1.00 34.34 O ATOM 402 NE2 GLN A 27 -8.443 -4.232 8.514 1.00 32.24 N ATOM 0 H GLN A 27 -5.478 -7.975 10.220 1.00 54.52 H new ATOM 0 HA GLN A 27 -3.886 -5.829 10.943 1.00 72.14 H new ATOM 0 HB2 GLN A 27 -5.613 -4.499 9.708 1.00 25.12 H new ATOM 0 HB3 GLN A 27 -5.279 -6.001 8.870 1.00 25.12 H new ATOM 0 HG2 GLN A 27 -7.357 -6.999 9.884 1.00 44.35 H new ATOM 0 HG3 GLN A 27 -7.700 -5.461 10.650 1.00 44.35 H new ATOM 0 HE21 GLN A 27 -8.313 -3.631 9.328 1.00 32.24 H new ATOM 0 HE22 GLN A 27 -8.935 -3.879 7.693 1.00 32.24 H new ATOM 411 N LYS A 28 -6.567 -5.940 12.859 1.00 62.35 N ATOM 412 CA LYS A 28 -7.233 -5.391 14.064 1.00 42.55 C ATOM 413 C LYS A 28 -6.396 -5.601 15.353 1.00 53.41 C ATOM 414 O LYS A 28 -6.383 -4.747 16.240 1.00 44.41 O ATOM 415 CB LYS A 28 -8.647 -6.013 14.203 1.00 10.13 C ATOM 416 CG LYS A 28 -8.676 -7.556 14.331 1.00 41.44 C ATOM 417 CD LYS A 28 -10.114 -8.128 14.360 1.00 10.14 C ATOM 418 CE LYS A 28 -10.907 -7.809 13.074 1.00 12.14 C ATOM 419 NZ LYS A 28 -12.279 -8.381 13.086 1.00 25.13 N ATOM 0 H LYS A 28 -7.033 -6.765 12.480 1.00 62.35 H new ATOM 0 HA LYS A 28 -7.325 -4.312 13.936 1.00 42.55 H new ATOM 0 HB2 LYS A 28 -9.132 -5.582 15.079 1.00 10.13 H new ATOM 0 HB3 LYS A 28 -9.241 -5.725 13.336 1.00 10.13 H new ATOM 0 HG2 LYS A 28 -8.132 -7.996 13.495 1.00 41.44 H new ATOM 0 HG3 LYS A 28 -8.154 -7.850 15.242 1.00 41.44 H new ATOM 0 HD2 LYS A 28 -10.068 -9.209 14.495 1.00 10.14 H new ATOM 0 HD3 LYS A 28 -10.645 -7.721 15.220 1.00 10.14 H new ATOM 0 HE2 LYS A 28 -10.970 -6.728 12.950 1.00 12.14 H new ATOM 0 HE3 LYS A 28 -10.364 -8.197 12.212 1.00 12.14 H new ATOM 0 HZ1 LYS A 28 -12.652 -8.409 12.116 1.00 25.13 H new ATOM 0 HZ2 LYS A 28 -12.250 -9.346 13.473 1.00 25.13 H new ATOM 0 HZ3 LYS A 28 -12.897 -7.789 13.677 1.00 25.13 H new ATOM 433 N GLN A 29 -5.716 -6.752 15.447 1.00 62.31 N ATOM 434 CA GLN A 29 -4.841 -7.080 16.596 1.00 12.35 C ATOM 435 C GLN A 29 -3.480 -6.340 16.491 1.00 45.44 C ATOM 436 O GLN A 29 -2.853 -6.011 17.508 1.00 3.40 O ATOM 437 CB GLN A 29 -4.657 -8.612 16.682 1.00 53.22 C ATOM 438 CG GLN A 29 -5.981 -9.400 16.777 1.00 73.13 C ATOM 439 CD GLN A 29 -5.787 -10.905 16.972 1.00 70.32 C ATOM 440 OE1 GLN A 29 -5.740 -11.401 18.091 1.00 12.43 O ATOM 441 NE2 GLN A 29 -5.657 -11.638 15.889 1.00 11.21 N ATOM 0 H GLN A 29 -5.752 -7.483 14.736 1.00 62.31 H new ATOM 0 HA GLN A 29 -5.314 -6.737 17.516 1.00 12.35 H new ATOM 0 HB2 GLN A 29 -4.107 -8.951 15.804 1.00 53.22 H new ATOM 0 HB3 GLN A 29 -4.044 -8.846 17.553 1.00 53.22 H new ATOM 0 HG2 GLN A 29 -6.569 -9.008 17.607 1.00 73.13 H new ATOM 0 HG3 GLN A 29 -6.560 -9.232 15.869 1.00 73.13 H new ATOM 0 HE21 GLN A 29 -5.700 -11.200 14.969 1.00 11.21 H new ATOM 0 HE22 GLN A 29 -5.513 -12.645 15.969 1.00 11.21 H new ATOM 450 N ILE A 30 -3.034 -6.094 15.243 1.00 72.11 N ATOM 451 CA ILE A 30 -1.810 -5.312 14.955 1.00 13.42 C ATOM 452 C ILE A 30 -1.998 -3.825 15.324 1.00 25.44 C ATOM 453 O ILE A 30 -1.131 -3.244 15.970 1.00 42.14 O ATOM 454 CB ILE A 30 -1.389 -5.451 13.439 1.00 43.22 C ATOM 455 CG1 ILE A 30 -1.040 -6.937 13.111 1.00 34.32 C ATOM 456 CG2 ILE A 30 -0.205 -4.513 13.074 1.00 72.43 C ATOM 457 CD1 ILE A 30 -0.769 -7.231 11.650 1.00 61.44 C ATOM 0 H ILE A 30 -3.510 -6.430 14.406 1.00 72.11 H new ATOM 0 HA ILE A 30 -1.010 -5.720 15.573 1.00 13.42 H new ATOM 0 HB ILE A 30 -2.239 -5.143 12.830 1.00 43.22 H new ATOM 0 HG12 ILE A 30 -0.163 -7.223 13.691 1.00 34.32 H new ATOM 0 HG13 ILE A 30 -1.863 -7.569 13.445 1.00 34.32 H new ATOM 0 HG21 ILE A 30 0.051 -4.642 12.022 1.00 72.43 H new ATOM 0 HG22 ILE A 30 -0.493 -3.477 13.253 1.00 72.43 H new ATOM 0 HG23 ILE A 30 0.659 -4.761 13.690 1.00 72.43 H new ATOM 0 HD11 ILE A 30 -0.537 -8.289 11.529 1.00 61.44 H new ATOM 0 HD12 ILE A 30 -1.651 -6.983 11.059 1.00 61.44 H new ATOM 0 HD13 ILE A 30 0.076 -6.633 11.309 1.00 61.44 H new ATOM 469 N LYS A 31 -3.147 -3.225 14.938 1.00 71.23 N ATOM 470 CA LYS A 31 -3.438 -1.795 15.225 1.00 64.00 C ATOM 471 C LYS A 31 -3.582 -1.532 16.748 1.00 31.13 C ATOM 472 O LYS A 31 -3.361 -0.413 17.206 1.00 54.33 O ATOM 473 CB LYS A 31 -4.685 -1.297 14.438 1.00 23.05 C ATOM 474 CG LYS A 31 -6.047 -1.841 14.917 1.00 11.41 C ATOM 475 CD LYS A 31 -7.225 -1.430 13.994 1.00 5.54 C ATOM 476 CE LYS A 31 -7.403 0.094 13.867 1.00 3.02 C ATOM 477 NZ LYS A 31 -7.645 0.739 15.186 1.00 60.41 N ATOM 0 H LYS A 31 -3.889 -3.705 14.428 1.00 71.23 H new ATOM 0 HA LYS A 31 -2.582 -1.216 14.879 1.00 64.00 H new ATOM 0 HB2 LYS A 31 -4.712 -0.209 14.490 1.00 23.05 H new ATOM 0 HB3 LYS A 31 -4.558 -1.563 13.389 1.00 23.05 H new ATOM 0 HG2 LYS A 31 -5.998 -2.929 14.972 1.00 11.41 H new ATOM 0 HG3 LYS A 31 -6.241 -1.480 15.927 1.00 11.41 H new ATOM 0 HD2 LYS A 31 -7.064 -1.853 13.002 1.00 5.54 H new ATOM 0 HD3 LYS A 31 -8.147 -1.865 14.380 1.00 5.54 H new ATOM 0 HE2 LYS A 31 -6.513 0.526 13.410 1.00 3.02 H new ATOM 0 HE3 LYS A 31 -8.239 0.307 13.200 1.00 3.02 H new ATOM 0 HZ1 LYS A 31 -8.289 1.546 15.065 1.00 60.41 H new ATOM 0 HZ2 LYS A 31 -8.073 0.049 15.836 1.00 60.41 H new ATOM 0 HZ3 LYS A 31 -6.742 1.073 15.580 1.00 60.41 H new ATOM 491 N LYS A 32 -3.958 -2.575 17.519 1.00 52.12 N ATOM 492 CA LYS A 32 -3.928 -2.538 19.004 1.00 13.32 C ATOM 493 C LYS A 32 -2.471 -2.455 19.522 1.00 64.02 C ATOM 494 O LYS A 32 -2.134 -1.598 20.348 1.00 72.34 O ATOM 495 CB LYS A 32 -4.613 -3.806 19.584 1.00 1.31 C ATOM 496 CG LYS A 32 -6.150 -3.844 19.441 1.00 10.32 C ATOM 497 CD LYS A 32 -6.857 -2.795 20.335 1.00 70.12 C ATOM 498 CE LYS A 32 -8.391 -2.905 20.299 1.00 15.13 C ATOM 499 NZ LYS A 32 -9.034 -1.964 21.251 1.00 64.15 N ATOM 0 H LYS A 32 -4.289 -3.461 17.137 1.00 52.12 H new ATOM 0 HA LYS A 32 -4.469 -1.650 19.333 1.00 13.32 H new ATOM 0 HB2 LYS A 32 -4.196 -4.683 19.090 1.00 1.31 H new ATOM 0 HB3 LYS A 32 -4.360 -3.885 20.641 1.00 1.31 H new ATOM 0 HG2 LYS A 32 -6.419 -3.669 18.399 1.00 10.32 H new ATOM 0 HG3 LYS A 32 -6.511 -4.839 19.700 1.00 10.32 H new ATOM 0 HD2 LYS A 32 -6.515 -2.913 21.363 1.00 70.12 H new ATOM 0 HD3 LYS A 32 -6.563 -1.796 20.014 1.00 70.12 H new ATOM 0 HE2 LYS A 32 -8.746 -2.700 19.289 1.00 15.13 H new ATOM 0 HE3 LYS A 32 -8.688 -3.926 20.540 1.00 15.13 H new ATOM 0 HZ1 LYS A 32 -10.067 -2.068 21.197 1.00 64.15 H new ATOM 0 HZ2 LYS A 32 -8.714 -2.176 22.218 1.00 64.15 H new ATOM 0 HZ3 LYS A 32 -8.771 -0.988 21.005 1.00 64.15 H new ATOM 513 N ALA A 33 -1.617 -3.362 19.007 1.00 2.14 N ATOM 514 CA ALA A 33 -0.193 -3.477 19.411 1.00 72.51 C ATOM 515 C ALA A 33 0.640 -2.229 19.012 1.00 2.25 C ATOM 516 O ALA A 33 1.576 -1.838 19.718 1.00 71.31 O ATOM 517 CB ALA A 33 0.418 -4.750 18.794 1.00 1.11 C ATOM 0 H ALA A 33 -1.892 -4.040 18.296 1.00 2.14 H new ATOM 0 HA ALA A 33 -0.162 -3.542 20.499 1.00 72.51 H new ATOM 0 HB1 ALA A 33 1.463 -4.833 19.092 1.00 1.11 H new ATOM 0 HB2 ALA A 33 -0.130 -5.624 19.146 1.00 1.11 H new ATOM 0 HB3 ALA A 33 0.353 -4.695 17.707 1.00 1.11 H new ATOM 523 N THR A 34 0.287 -1.629 17.867 1.00 63.41 N ATOM 524 CA THR A 34 0.982 -0.447 17.289 1.00 50.11 C ATOM 525 C THR A 34 0.282 0.889 17.647 1.00 60.14 C ATOM 526 O THR A 34 0.793 1.964 17.311 1.00 33.00 O ATOM 527 CB THR A 34 1.059 -0.575 15.733 1.00 61.34 C ATOM 528 OG1 THR A 34 -0.269 -0.645 15.187 1.00 73.31 O ATOM 529 CG2 THR A 34 1.847 -1.820 15.297 1.00 70.01 C ATOM 0 H THR A 34 -0.499 -1.948 17.300 1.00 63.41 H new ATOM 0 HA THR A 34 1.982 -0.430 17.722 1.00 50.11 H new ATOM 0 HB THR A 34 1.580 0.305 15.357 1.00 61.34 H new ATOM 0 HG1 THR A 34 -0.641 -1.538 15.345 1.00 73.31 H new ATOM 0 HG21 THR A 34 1.876 -1.870 14.209 1.00 70.01 H new ATOM 0 HG22 THR A 34 2.864 -1.761 15.684 1.00 70.01 H new ATOM 0 HG23 THR A 34 1.361 -2.714 15.688 1.00 70.01 H new ATOM 537 N LYS A 35 -0.912 0.790 18.284 1.00 31.52 N ATOM 538 CA LYS A 35 -1.710 1.949 18.780 1.00 14.35 C ATOM 539 C LYS A 35 -2.239 2.847 17.627 1.00 44.41 C ATOM 540 O LYS A 35 -2.470 4.051 17.810 1.00 55.30 O ATOM 541 CB LYS A 35 -0.920 2.772 19.849 1.00 71.52 C ATOM 542 CG LYS A 35 -0.605 1.993 21.151 1.00 4.14 C ATOM 543 CD LYS A 35 -1.868 1.569 21.962 1.00 12.43 C ATOM 544 CE LYS A 35 -2.539 2.717 22.759 1.00 74.34 C ATOM 545 NZ LYS A 35 -3.120 3.783 21.900 1.00 24.53 N ATOM 0 H LYS A 35 -1.357 -0.108 18.472 1.00 31.52 H new ATOM 0 HA LYS A 35 -2.591 1.537 19.272 1.00 14.35 H new ATOM 0 HB2 LYS A 35 0.017 3.113 19.408 1.00 71.52 H new ATOM 0 HB3 LYS A 35 -1.495 3.662 20.103 1.00 71.52 H new ATOM 0 HG2 LYS A 35 -0.033 1.101 20.898 1.00 4.14 H new ATOM 0 HG3 LYS A 35 0.031 2.610 21.786 1.00 4.14 H new ATOM 0 HD2 LYS A 35 -2.600 1.146 21.274 1.00 12.43 H new ATOM 0 HD3 LYS A 35 -1.588 0.777 22.657 1.00 12.43 H new ATOM 0 HE2 LYS A 35 -3.326 2.299 23.387 1.00 74.34 H new ATOM 0 HE3 LYS A 35 -1.802 3.163 23.427 1.00 74.34 H new ATOM 0 HZ1 LYS A 35 -3.958 4.186 22.366 1.00 24.53 H new ATOM 0 HZ2 LYS A 35 -2.414 4.531 21.750 1.00 24.53 H new ATOM 0 HZ3 LYS A 35 -3.396 3.378 20.983 1.00 24.53 H new ATOM 559 N LEU A 36 -2.490 2.223 16.464 1.00 34.44 N ATOM 560 CA LEU A 36 -3.057 2.906 15.286 1.00 0.12 C ATOM 561 C LEU A 36 -4.567 3.149 15.482 1.00 45.43 C ATOM 562 O LEU A 36 -5.308 2.221 15.840 1.00 42.44 O ATOM 563 CB LEU A 36 -2.815 2.074 13.997 1.00 50.13 C ATOM 564 CG LEU A 36 -1.326 1.869 13.595 1.00 62.11 C ATOM 565 CD1 LEU A 36 -1.197 1.016 12.317 1.00 52.02 C ATOM 566 CD2 LEU A 36 -0.595 3.219 13.450 1.00 14.22 C ATOM 0 H LEU A 36 -2.306 1.231 16.313 1.00 34.44 H new ATOM 0 HA LEU A 36 -2.555 3.867 15.176 1.00 0.12 H new ATOM 0 HB2 LEU A 36 -3.275 1.094 14.127 1.00 50.13 H new ATOM 0 HB3 LEU A 36 -3.332 2.561 13.170 1.00 50.13 H new ATOM 0 HG LEU A 36 -0.842 1.318 14.401 1.00 62.11 H new ATOM 0 HD11 LEU A 36 -0.143 0.894 12.066 1.00 52.02 H new ATOM 0 HD12 LEU A 36 -1.646 0.037 12.486 1.00 52.02 H new ATOM 0 HD13 LEU A 36 -1.710 1.513 11.494 1.00 52.02 H new ATOM 0 HD21 LEU A 36 0.443 3.042 13.169 1.00 14.22 H new ATOM 0 HD22 LEU A 36 -1.083 3.816 12.680 1.00 14.22 H new ATOM 0 HD23 LEU A 36 -0.628 3.754 14.399 1.00 14.22 H new ATOM 578 N LYS A 37 -4.998 4.402 15.255 1.00 44.25 N ATOM 579 CA LYS A 37 -6.423 4.789 15.289 1.00 31.10 C ATOM 580 C LYS A 37 -7.169 4.135 14.102 1.00 42.24 C ATOM 581 O LYS A 37 -8.193 3.475 14.283 1.00 2.21 O ATOM 582 CB LYS A 37 -6.599 6.341 15.227 1.00 13.11 C ATOM 583 CG LYS A 37 -6.117 7.148 16.465 1.00 62.41 C ATOM 584 CD LYS A 37 -4.580 7.203 16.634 1.00 25.43 C ATOM 585 CE LYS A 37 -4.137 8.262 17.663 1.00 3.10 C ATOM 586 NZ LYS A 37 -4.795 8.084 18.986 1.00 60.51 N ATOM 0 H LYS A 37 -4.370 5.177 15.043 1.00 44.25 H new ATOM 0 HA LYS A 37 -6.843 4.439 16.232 1.00 31.10 H new ATOM 0 HB2 LYS A 37 -6.064 6.709 14.351 1.00 13.11 H new ATOM 0 HB3 LYS A 37 -7.656 6.558 15.070 1.00 13.11 H new ATOM 0 HG2 LYS A 37 -6.499 8.166 16.391 1.00 62.41 H new ATOM 0 HG3 LYS A 37 -6.553 6.709 17.362 1.00 62.41 H new ATOM 0 HD2 LYS A 37 -4.217 6.224 16.946 1.00 25.43 H new ATOM 0 HD3 LYS A 37 -4.119 7.422 15.671 1.00 25.43 H new ATOM 0 HE2 LYS A 37 -3.056 8.211 17.789 1.00 3.10 H new ATOM 0 HE3 LYS A 37 -4.366 9.256 17.278 1.00 3.10 H new ATOM 0 HZ1 LYS A 37 -4.389 8.755 19.669 1.00 60.51 H new ATOM 0 HZ2 LYS A 37 -5.816 8.260 18.893 1.00 60.51 H new ATOM 0 HZ3 LYS A 37 -4.641 7.112 19.323 1.00 60.51 H new ATOM 600 N ALA A 38 -6.594 4.285 12.895 1.00 63.23 N ATOM 601 CA ALA A 38 -7.204 3.809 11.638 1.00 20.43 C ATOM 602 C ALA A 38 -6.372 2.688 10.979 1.00 3.44 C ATOM 603 O ALA A 38 -5.142 2.630 11.114 1.00 55.30 O ATOM 604 CB ALA A 38 -7.383 4.986 10.663 1.00 51.53 C ATOM 0 H ALA A 38 -5.691 4.741 12.763 1.00 63.23 H new ATOM 0 HA ALA A 38 -8.179 3.388 11.882 1.00 20.43 H new ATOM 0 HB1 ALA A 38 -7.834 4.627 9.738 1.00 51.53 H new ATOM 0 HB2 ALA A 38 -8.031 5.737 11.115 1.00 51.53 H new ATOM 0 HB3 ALA A 38 -6.411 5.429 10.445 1.00 51.53 H new ATOM 610 N ASP A 39 -7.084 1.796 10.272 1.00 43.42 N ATOM 611 CA ASP A 39 -6.493 0.763 9.395 1.00 21.22 C ATOM 612 C ASP A 39 -5.771 1.392 8.187 1.00 12.23 C ATOM 613 O ASP A 39 -4.937 0.747 7.563 1.00 12.34 O ATOM 614 CB ASP A 39 -7.584 -0.236 8.947 1.00 31.53 C ATOM 615 CG ASP A 39 -8.194 -0.982 10.145 1.00 20.44 C ATOM 616 OD1 ASP A 39 -9.182 -0.480 10.732 1.00 74.42 O ATOM 617 OD2 ASP A 39 -7.663 -2.051 10.530 1.00 12.41 O ATOM 0 H ASP A 39 -8.103 1.769 10.292 1.00 43.42 H new ATOM 0 HA ASP A 39 -5.739 0.218 9.963 1.00 21.22 H new ATOM 0 HB2 ASP A 39 -8.369 0.298 8.412 1.00 31.53 H new ATOM 0 HB3 ASP A 39 -7.155 -0.956 8.250 1.00 31.53 H new ATOM 622 N LYS A 40 -6.144 2.637 7.841 1.00 63.32 N ATOM 623 CA LYS A 40 -5.458 3.444 6.801 1.00 51.15 C ATOM 624 C LYS A 40 -3.942 3.606 7.090 1.00 43.21 C ATOM 625 O LYS A 40 -3.117 3.580 6.170 1.00 44.14 O ATOM 626 CB LYS A 40 -6.142 4.827 6.684 1.00 62.14 C ATOM 627 CG LYS A 40 -7.656 4.749 6.387 1.00 12.12 C ATOM 628 CD LYS A 40 -8.309 6.134 6.175 1.00 55.03 C ATOM 629 CE LYS A 40 -7.725 6.902 4.966 1.00 44.03 C ATOM 630 NZ LYS A 40 -8.448 8.175 4.713 1.00 73.41 N ATOM 0 H LYS A 40 -6.932 3.119 8.273 1.00 63.32 H new ATOM 0 HA LYS A 40 -5.543 2.913 5.853 1.00 51.15 H new ATOM 0 HB2 LYS A 40 -5.991 5.377 7.613 1.00 62.14 H new ATOM 0 HB3 LYS A 40 -5.655 5.398 5.893 1.00 62.14 H new ATOM 0 HG2 LYS A 40 -7.814 4.140 5.497 1.00 12.12 H new ATOM 0 HG3 LYS A 40 -8.156 4.242 7.212 1.00 12.12 H new ATOM 0 HD2 LYS A 40 -9.382 6.005 6.032 1.00 55.03 H new ATOM 0 HD3 LYS A 40 -8.177 6.733 7.076 1.00 55.03 H new ATOM 0 HE2 LYS A 40 -6.671 7.113 5.146 1.00 44.03 H new ATOM 0 HE3 LYS A 40 -7.777 6.273 4.077 1.00 44.03 H new ATOM 0 HZ1 LYS A 40 -8.025 8.658 3.895 1.00 73.41 H new ATOM 0 HZ2 LYS A 40 -9.449 7.973 4.516 1.00 73.41 H new ATOM 0 HZ3 LYS A 40 -8.377 8.787 5.551 1.00 73.41 H new ATOM 644 N ASP A 41 -3.594 3.759 8.377 1.00 50.12 N ATOM 645 CA ASP A 41 -2.185 3.807 8.836 1.00 1.42 C ATOM 646 C ASP A 41 -1.505 2.429 8.666 1.00 1.24 C ATOM 647 O ASP A 41 -0.303 2.344 8.381 1.00 43.51 O ATOM 648 CB ASP A 41 -2.124 4.248 10.309 1.00 25.01 C ATOM 649 CG ASP A 41 -2.758 5.623 10.539 1.00 13.35 C ATOM 650 OD1 ASP A 41 -3.990 5.692 10.766 1.00 61.04 O ATOM 651 OD2 ASP A 41 -2.028 6.639 10.491 1.00 34.42 O ATOM 0 H ASP A 41 -4.274 3.853 9.131 1.00 50.12 H new ATOM 0 HA ASP A 41 -1.649 4.532 8.224 1.00 1.42 H new ATOM 0 HB2 ASP A 41 -2.634 3.509 10.927 1.00 25.01 H new ATOM 0 HB3 ASP A 41 -1.084 4.273 10.634 1.00 25.01 H new ATOM 656 N PHE A 42 -2.296 1.359 8.854 1.00 13.14 N ATOM 657 CA PHE A 42 -1.851 -0.025 8.612 1.00 14.44 C ATOM 658 C PHE A 42 -1.627 -0.288 7.100 1.00 62.11 C ATOM 659 O PHE A 42 -0.748 -1.053 6.745 1.00 62.33 O ATOM 660 CB PHE A 42 -2.865 -1.042 9.212 1.00 62.23 C ATOM 661 CG PHE A 42 -2.522 -2.512 8.947 1.00 33.24 C ATOM 662 CD1 PHE A 42 -1.478 -3.135 9.632 1.00 23.23 C ATOM 663 CD2 PHE A 42 -3.226 -3.264 8.000 1.00 13.21 C ATOM 664 CE1 PHE A 42 -1.151 -4.450 9.380 1.00 42.34 C ATOM 665 CE2 PHE A 42 -2.897 -4.586 7.755 1.00 51.21 C ATOM 666 CZ PHE A 42 -1.859 -5.177 8.447 1.00 14.51 C ATOM 0 H PHE A 42 -3.261 1.428 9.178 1.00 13.14 H new ATOM 0 HA PHE A 42 -0.894 -0.162 9.115 1.00 14.44 H new ATOM 0 HB2 PHE A 42 -2.925 -0.884 10.289 1.00 62.23 H new ATOM 0 HB3 PHE A 42 -3.854 -0.833 8.804 1.00 62.23 H new ATOM 0 HD1 PHE A 42 -0.919 -2.579 10.370 1.00 23.23 H new ATOM 0 HD2 PHE A 42 -4.037 -2.807 7.453 1.00 13.21 H new ATOM 0 HE1 PHE A 42 -0.336 -4.913 9.916 1.00 42.34 H new ATOM 0 HE2 PHE A 42 -3.452 -5.154 7.023 1.00 51.21 H new ATOM 0 HZ PHE A 42 -1.602 -6.209 8.257 1.00 14.51 H new ATOM 676 N PHE A 43 -2.422 0.351 6.220 1.00 1.45 N ATOM 677 CA PHE A 43 -2.292 0.172 4.747 1.00 13.12 C ATOM 678 C PHE A 43 -1.018 0.865 4.187 1.00 5.24 C ATOM 679 O PHE A 43 -0.355 0.321 3.300 1.00 54.44 O ATOM 680 CB PHE A 43 -3.565 0.686 4.019 1.00 21.30 C ATOM 681 CG PHE A 43 -4.863 -0.019 4.444 1.00 73.04 C ATOM 682 CD1 PHE A 43 -4.888 -1.396 4.694 1.00 34.22 C ATOM 683 CD2 PHE A 43 -6.053 0.692 4.598 1.00 41.11 C ATOM 684 CE1 PHE A 43 -6.053 -2.028 5.086 1.00 12.15 C ATOM 685 CE2 PHE A 43 -7.220 0.057 4.991 1.00 64.15 C ATOM 686 CZ PHE A 43 -7.219 -1.303 5.233 1.00 13.21 C ATOM 0 H PHE A 43 -3.162 0.996 6.496 1.00 1.45 H new ATOM 0 HA PHE A 43 -2.188 -0.896 4.556 1.00 13.12 H new ATOM 0 HB2 PHE A 43 -3.669 1.755 4.204 1.00 21.30 H new ATOM 0 HB3 PHE A 43 -3.431 0.560 2.945 1.00 21.30 H new ATOM 0 HD1 PHE A 43 -3.983 -1.974 4.579 1.00 34.22 H new ATOM 0 HD2 PHE A 43 -6.065 1.755 4.408 1.00 41.11 H new ATOM 0 HE1 PHE A 43 -6.051 -3.091 5.278 1.00 12.15 H new ATOM 0 HE2 PHE A 43 -8.131 0.625 5.108 1.00 64.15 H new ATOM 0 HZ PHE A 43 -8.129 -1.799 5.537 1.00 13.21 H new ATOM 696 N LEU A 44 -0.691 2.061 4.719 1.00 0.14 N ATOM 697 CA LEU A 44 0.563 2.788 4.371 1.00 64.04 C ATOM 698 C LEU A 44 1.809 2.068 4.959 1.00 61.40 C ATOM 699 O LEU A 44 2.845 1.961 4.292 1.00 3.44 O ATOM 700 CB LEU A 44 0.501 4.278 4.848 1.00 41.55 C ATOM 701 CG LEU A 44 -0.224 5.292 3.887 1.00 4.40 C ATOM 702 CD1 LEU A 44 -1.698 4.913 3.625 1.00 21.54 C ATOM 703 CD2 LEU A 44 -0.113 6.744 4.415 1.00 50.54 C ATOM 0 H LEU A 44 -1.277 2.551 5.395 1.00 0.14 H new ATOM 0 HA LEU A 44 0.657 2.787 3.285 1.00 64.04 H new ATOM 0 HB2 LEU A 44 -0.001 4.306 5.815 1.00 41.55 H new ATOM 0 HB3 LEU A 44 1.521 4.628 5.007 1.00 41.55 H new ATOM 0 HG LEU A 44 0.293 5.234 2.929 1.00 4.40 H new ATOM 0 HD11 LEU A 44 -2.149 5.646 2.956 1.00 21.54 H new ATOM 0 HD12 LEU A 44 -1.744 3.926 3.165 1.00 21.54 H new ATOM 0 HD13 LEU A 44 -2.243 4.899 4.569 1.00 21.54 H new ATOM 0 HD21 LEU A 44 -0.623 7.420 3.729 1.00 50.54 H new ATOM 0 HD22 LEU A 44 -0.575 6.809 5.400 1.00 50.54 H new ATOM 0 HD23 LEU A 44 0.938 7.026 4.487 1.00 50.54 H new ATOM 715 N GLY A 45 1.676 1.573 6.210 1.00 44.52 N ATOM 716 CA GLY A 45 2.754 0.827 6.883 1.00 24.03 C ATOM 717 C GLY A 45 3.063 -0.519 6.217 1.00 12.10 C ATOM 718 O GLY A 45 4.193 -0.769 5.817 1.00 72.13 O ATOM 0 H GLY A 45 0.831 1.679 6.771 1.00 44.52 H new ATOM 0 HA2 GLY A 45 3.658 1.436 6.893 1.00 24.03 H new ATOM 0 HA3 GLY A 45 2.474 0.655 7.922 1.00 24.03 H new ATOM 722 N LEU A 46 2.026 -1.365 6.077 1.00 14.41 N ATOM 723 CA LEU A 46 2.114 -2.692 5.404 1.00 51.31 C ATOM 724 C LEU A 46 2.530 -2.559 3.916 1.00 0.30 C ATOM 725 O LEU A 46 3.238 -3.417 3.383 1.00 2.41 O ATOM 726 CB LEU A 46 0.754 -3.433 5.498 1.00 0.13 C ATOM 727 CG LEU A 46 0.677 -4.837 4.813 1.00 72.11 C ATOM 728 CD1 LEU A 46 1.617 -5.852 5.503 1.00 64.24 C ATOM 729 CD2 LEU A 46 -0.782 -5.349 4.746 1.00 30.23 C ATOM 0 H LEU A 46 1.092 -1.153 6.428 1.00 14.41 H new ATOM 0 HA LEU A 46 2.883 -3.267 5.920 1.00 51.31 H new ATOM 0 HB2 LEU A 46 0.503 -3.553 6.552 1.00 0.13 H new ATOM 0 HB3 LEU A 46 -0.013 -2.796 5.058 1.00 0.13 H new ATOM 0 HG LEU A 46 1.026 -4.727 3.786 1.00 72.11 H new ATOM 0 HD11 LEU A 46 1.540 -6.818 5.003 1.00 64.24 H new ATOM 0 HD12 LEU A 46 2.645 -5.494 5.444 1.00 64.24 H new ATOM 0 HD13 LEU A 46 1.330 -5.961 6.549 1.00 64.24 H new ATOM 0 HD21 LEU A 46 -0.803 -6.327 4.265 1.00 30.23 H new ATOM 0 HD22 LEU A 46 -1.185 -5.433 5.755 1.00 30.23 H new ATOM 0 HD23 LEU A 46 -1.387 -4.649 4.171 1.00 30.23 H new ATOM 741 N GLY A 47 2.087 -1.469 3.267 1.00 73.12 N ATOM 742 CA GLY A 47 2.478 -1.167 1.878 1.00 1.12 C ATOM 743 C GLY A 47 3.982 -0.919 1.743 1.00 51.53 C ATOM 744 O GLY A 47 4.602 -1.267 0.727 1.00 3.43 O ATOM 0 H GLY A 47 1.458 -0.782 3.682 1.00 73.12 H new ATOM 0 HA2 GLY A 47 2.189 -1.996 1.232 1.00 1.12 H new ATOM 0 HA3 GLY A 47 1.934 -0.288 1.532 1.00 1.12 H new ATOM 748 N TRP A 48 4.566 -0.324 2.803 1.00 23.41 N ATOM 749 CA TRP A 48 6.019 -0.147 2.919 1.00 33.01 C ATOM 750 C TRP A 48 6.714 -1.510 3.203 1.00 23.10 C ATOM 751 O TRP A 48 7.769 -1.791 2.654 1.00 1.22 O ATOM 752 CB TRP A 48 6.366 0.897 4.017 1.00 52.14 C ATOM 753 CG TRP A 48 7.794 1.377 3.943 1.00 21.23 C ATOM 754 CD1 TRP A 48 8.865 0.953 4.681 1.00 52.33 C ATOM 755 CD2 TRP A 48 8.305 2.356 3.035 1.00 13.23 C ATOM 756 NE1 TRP A 48 10.000 1.606 4.288 1.00 65.25 N ATOM 757 CE2 TRP A 48 9.683 2.476 3.281 1.00 25.44 C ATOM 758 CE3 TRP A 48 7.722 3.145 2.041 1.00 3.35 C ATOM 759 CZ2 TRP A 48 10.489 3.345 2.561 1.00 30.01 C ATOM 760 CZ3 TRP A 48 8.522 4.009 1.328 1.00 40.22 C ATOM 761 CH2 TRP A 48 9.896 4.100 1.591 1.00 42.01 C ATOM 0 H TRP A 48 4.042 0.044 3.597 1.00 23.41 H new ATOM 0 HA TRP A 48 6.394 0.234 1.969 1.00 33.01 H new ATOM 0 HB2 TRP A 48 5.696 1.752 3.923 1.00 52.14 H new ATOM 0 HB3 TRP A 48 6.186 0.458 4.998 1.00 52.14 H new ATOM 0 HD1 TRP A 48 8.820 0.209 5.462 1.00 52.33 H new ATOM 0 HE1 TRP A 48 10.931 1.467 4.681 1.00 65.25 H new ATOM 0 HE3 TRP A 48 6.664 3.079 1.836 1.00 3.35 H new ATOM 0 HZ2 TRP A 48 11.548 3.422 2.761 1.00 30.01 H new ATOM 0 HZ3 TRP A 48 8.085 4.625 0.556 1.00 40.22 H new ATOM 0 HH2 TRP A 48 10.499 4.784 1.012 1.00 42.01 H new ATOM 772 N LEU A 49 6.094 -2.355 4.047 1.00 64.22 N ATOM 773 CA LEU A 49 6.579 -3.746 4.327 1.00 1.54 C ATOM 774 C LEU A 49 6.697 -4.604 3.029 1.00 73.22 C ATOM 775 O LEU A 49 7.621 -5.424 2.894 1.00 21.13 O ATOM 776 CB LEU A 49 5.634 -4.449 5.362 1.00 3.34 C ATOM 777 CG LEU A 49 5.930 -4.231 6.883 1.00 33.41 C ATOM 778 CD1 LEU A 49 6.155 -2.770 7.201 1.00 5.22 C ATOM 779 CD2 LEU A 49 4.792 -4.799 7.761 1.00 31.41 C ATOM 0 H LEU A 49 5.247 -2.108 4.558 1.00 64.22 H new ATOM 0 HA LEU A 49 7.581 -3.663 4.749 1.00 1.54 H new ATOM 0 HB2 LEU A 49 4.615 -4.114 5.167 1.00 3.34 H new ATOM 0 HB3 LEU A 49 5.660 -5.521 5.166 1.00 3.34 H new ATOM 0 HG LEU A 49 6.847 -4.774 7.112 1.00 33.41 H new ATOM 0 HD11 LEU A 49 6.358 -2.656 8.266 1.00 5.22 H new ATOM 0 HD12 LEU A 49 7.005 -2.400 6.628 1.00 5.22 H new ATOM 0 HD13 LEU A 49 5.264 -2.199 6.938 1.00 5.22 H new ATOM 0 HD21 LEU A 49 5.026 -4.633 8.812 1.00 31.41 H new ATOM 0 HD22 LEU A 49 3.857 -4.297 7.514 1.00 31.41 H new ATOM 0 HD23 LEU A 49 4.690 -5.868 7.577 1.00 31.41 H new ATOM 791 N LEU A 50 5.742 -4.403 2.095 1.00 34.22 N ATOM 792 CA LEU A 50 5.726 -5.081 0.773 1.00 41.03 C ATOM 793 C LEU A 50 6.891 -4.609 -0.126 1.00 1.11 C ATOM 794 O LEU A 50 7.549 -5.427 -0.782 1.00 44.41 O ATOM 795 CB LEU A 50 4.360 -4.838 0.065 1.00 63.12 C ATOM 796 CG LEU A 50 3.115 -5.489 0.748 1.00 34.51 C ATOM 797 CD1 LEU A 50 1.805 -5.119 0.012 1.00 73.52 C ATOM 798 CD2 LEU A 50 3.294 -7.021 0.857 1.00 41.33 C ATOM 0 H LEU A 50 4.958 -3.766 2.233 1.00 34.22 H new ATOM 0 HA LEU A 50 5.857 -6.150 0.944 1.00 41.03 H new ATOM 0 HB2 LEU A 50 4.193 -3.763 -0.002 1.00 63.12 H new ATOM 0 HB3 LEU A 50 4.429 -5.214 -0.956 1.00 63.12 H new ATOM 0 HG LEU A 50 3.036 -5.087 1.758 1.00 34.51 H new ATOM 0 HD11 LEU A 50 0.960 -5.589 0.515 1.00 73.52 H new ATOM 0 HD12 LEU A 50 1.676 -4.037 0.021 1.00 73.52 H new ATOM 0 HD13 LEU A 50 1.855 -5.470 -1.019 1.00 73.52 H new ATOM 0 HD21 LEU A 50 2.417 -7.457 1.335 1.00 41.33 H new ATOM 0 HD22 LEU A 50 3.412 -7.445 -0.140 1.00 41.33 H new ATOM 0 HD23 LEU A 50 4.180 -7.242 1.453 1.00 41.33 H new ATOM 810 N ARG A 51 7.151 -3.285 -0.142 1.00 44.13 N ATOM 811 CA ARG A 51 8.259 -2.708 -0.935 1.00 64.20 C ATOM 812 C ARG A 51 9.641 -3.016 -0.294 1.00 30.24 C ATOM 813 O ARG A 51 10.667 -3.000 -0.978 1.00 10.24 O ATOM 814 CB ARG A 51 8.032 -1.179 -1.161 1.00 5.55 C ATOM 815 CG ARG A 51 8.284 -0.202 0.035 1.00 35.14 C ATOM 816 CD ARG A 51 9.565 0.661 -0.104 1.00 71.43 C ATOM 817 NE ARG A 51 10.809 -0.093 0.159 1.00 35.22 N ATOM 818 CZ ARG A 51 11.931 0.013 -0.523 1.00 65.23 C ATOM 819 NH1 ARG A 51 12.039 0.812 -1.536 1.00 71.32 N ATOM 820 NH2 ARG A 51 12.950 -0.692 -0.165 1.00 63.11 N ATOM 0 H ARG A 51 6.611 -2.597 0.383 1.00 44.13 H new ATOM 0 HA ARG A 51 8.265 -3.184 -1.915 1.00 64.20 H new ATOM 0 HB2 ARG A 51 8.674 -0.867 -1.985 1.00 5.55 H new ATOM 0 HB3 ARG A 51 7.002 -1.042 -1.490 1.00 5.55 H new ATOM 0 HG2 ARG A 51 7.424 0.460 0.136 1.00 35.14 H new ATOM 0 HG3 ARG A 51 8.349 -0.782 0.955 1.00 35.14 H new ATOM 0 HD2 ARG A 51 9.607 1.078 -1.110 1.00 71.43 H new ATOM 0 HD3 ARG A 51 9.505 1.502 0.587 1.00 71.43 H new ATOM 0 HE ARG A 51 10.798 -0.753 0.937 1.00 35.22 H new ATOM 0 HH11 ARG A 51 11.243 1.380 -1.825 1.00 71.32 H new ATOM 0 HH12 ARG A 51 12.921 0.873 -2.045 1.00 71.32 H new ATOM 0 HH21 ARG A 51 12.880 -1.320 0.636 1.00 63.11 H new ATOM 0 HH22 ARG A 51 13.826 -0.622 -0.683 1.00 63.11 H new ATOM 834 N GLU A 52 9.638 -3.296 1.027 1.00 45.04 N ATOM 835 CA GLU A 52 10.831 -3.743 1.783 1.00 40.15 C ATOM 836 C GLU A 52 11.142 -5.231 1.531 1.00 45.51 C ATOM 837 O GLU A 52 12.273 -5.678 1.777 1.00 64.30 O ATOM 838 CB GLU A 52 10.606 -3.519 3.307 1.00 13.20 C ATOM 839 CG GLU A 52 10.626 -2.047 3.767 1.00 61.23 C ATOM 840 CD GLU A 52 12.026 -1.420 3.739 1.00 60.01 C ATOM 841 OE1 GLU A 52 12.455 -0.952 2.668 1.00 12.41 O ATOM 842 OE2 GLU A 52 12.704 -1.407 4.789 1.00 73.10 O ATOM 0 H GLU A 52 8.801 -3.218 1.605 1.00 45.04 H new ATOM 0 HA GLU A 52 11.680 -3.153 1.437 1.00 40.15 H new ATOM 0 HB2 GLU A 52 9.647 -3.956 3.584 1.00 13.20 H new ATOM 0 HB3 GLU A 52 11.375 -4.064 3.855 1.00 13.20 H new ATOM 0 HG2 GLU A 52 9.962 -1.465 3.128 1.00 61.23 H new ATOM 0 HG3 GLU A 52 10.228 -1.985 4.780 1.00 61.23 H new ATOM 849 N ASP A 53 10.104 -5.990 1.094 1.00 20.35 N ATOM 850 CA ASP A 53 10.184 -7.449 0.842 1.00 15.54 C ATOM 851 C ASP A 53 10.462 -8.234 2.162 1.00 23.21 C ATOM 852 O ASP A 53 10.932 -9.377 2.152 1.00 32.31 O ATOM 853 CB ASP A 53 11.241 -7.723 -0.278 1.00 52.15 C ATOM 854 CG ASP A 53 11.198 -9.137 -0.867 1.00 34.30 C ATOM 855 OD1 ASP A 53 10.099 -9.701 -0.996 1.00 2.33 O ATOM 856 OD2 ASP A 53 12.263 -9.684 -1.224 1.00 42.14 O ATOM 0 H ASP A 53 9.180 -5.601 0.906 1.00 20.35 H new ATOM 0 HA ASP A 53 9.223 -7.816 0.482 1.00 15.54 H new ATOM 0 HB2 ASP A 53 11.092 -7.004 -1.083 1.00 52.15 H new ATOM 0 HB3 ASP A 53 12.236 -7.544 0.129 1.00 52.15 H new ATOM 861 N LYS A 54 10.126 -7.600 3.310 1.00 61.23 N ATOM 862 CA LYS A 54 10.376 -8.173 4.657 1.00 53.31 C ATOM 863 C LYS A 54 9.145 -8.919 5.218 1.00 23.30 C ATOM 864 O LYS A 54 9.209 -9.464 6.328 1.00 73.41 O ATOM 865 CB LYS A 54 10.855 -7.071 5.647 1.00 64.42 C ATOM 866 CG LYS A 54 12.235 -6.466 5.292 1.00 71.41 C ATOM 867 CD LYS A 54 12.816 -5.527 6.381 1.00 4.12 C ATOM 868 CE LYS A 54 11.945 -4.288 6.666 1.00 61.42 C ATOM 869 NZ LYS A 54 12.641 -3.292 7.522 1.00 51.32 N ATOM 0 H LYS A 54 9.677 -6.684 3.331 1.00 61.23 H new ATOM 0 HA LYS A 54 11.170 -8.911 4.546 1.00 53.31 H new ATOM 0 HB2 LYS A 54 10.114 -6.272 5.672 1.00 64.42 H new ATOM 0 HB3 LYS A 54 10.902 -7.493 6.651 1.00 64.42 H new ATOM 0 HG2 LYS A 54 12.940 -7.278 5.114 1.00 71.41 H new ATOM 0 HG3 LYS A 54 12.146 -5.910 4.358 1.00 71.41 H new ATOM 0 HD2 LYS A 54 12.941 -6.092 7.305 1.00 4.12 H new ATOM 0 HD3 LYS A 54 13.808 -5.198 6.072 1.00 4.12 H new ATOM 0 HE2 LYS A 54 11.664 -3.820 5.723 1.00 61.42 H new ATOM 0 HE3 LYS A 54 11.022 -4.600 7.154 1.00 61.42 H new ATOM 0 HZ1 LYS A 54 12.015 -2.477 7.686 1.00 51.32 H new ATOM 0 HZ2 LYS A 54 12.886 -3.729 8.433 1.00 51.32 H new ATOM 0 HZ3 LYS A 54 13.509 -2.972 7.047 1.00 51.32 H new ATOM 883 N VAL A 55 8.032 -8.974 4.445 1.00 33.55 N ATOM 884 CA VAL A 55 6.794 -9.693 4.866 1.00 50.42 C ATOM 885 C VAL A 55 6.158 -10.527 3.737 1.00 43.41 C ATOM 886 O VAL A 55 6.543 -10.445 2.567 1.00 23.52 O ATOM 887 CB VAL A 55 5.677 -8.726 5.423 1.00 43.43 C ATOM 888 CG1 VAL A 55 6.172 -7.947 6.655 1.00 22.34 C ATOM 889 CG2 VAL A 55 5.128 -7.787 4.318 1.00 4.45 C ATOM 0 H VAL A 55 7.962 -8.532 3.529 1.00 33.55 H new ATOM 0 HA VAL A 55 7.142 -10.355 5.659 1.00 50.42 H new ATOM 0 HB VAL A 55 4.841 -9.344 5.751 1.00 43.43 H new ATOM 0 HG11 VAL A 55 5.379 -7.291 7.013 1.00 22.34 H new ATOM 0 HG12 VAL A 55 6.446 -8.648 7.443 1.00 22.34 H new ATOM 0 HG13 VAL A 55 7.042 -7.349 6.382 1.00 22.34 H new ATOM 0 HG21 VAL A 55 4.362 -7.137 4.740 1.00 4.45 H new ATOM 0 HG22 VAL A 55 5.941 -7.179 3.920 1.00 4.45 H new ATOM 0 HG23 VAL A 55 4.695 -8.384 3.515 1.00 4.45 H new ATOM 899 N VAL A 56 5.162 -11.329 4.150 1.00 13.42 N ATOM 900 CA VAL A 56 4.201 -11.998 3.268 1.00 53.22 C ATOM 901 C VAL A 56 2.767 -11.823 3.830 1.00 62.31 C ATOM 902 O VAL A 56 2.537 -11.925 5.041 1.00 3.41 O ATOM 903 CB VAL A 56 4.573 -13.515 3.067 1.00 61.53 C ATOM 904 CG1 VAL A 56 4.734 -14.242 4.424 1.00 64.04 C ATOM 905 CG2 VAL A 56 3.564 -14.246 2.135 1.00 71.54 C ATOM 0 H VAL A 56 5.002 -11.533 5.136 1.00 13.42 H new ATOM 0 HA VAL A 56 4.240 -11.534 2.283 1.00 53.22 H new ATOM 0 HB VAL A 56 5.540 -13.544 2.565 1.00 61.53 H new ATOM 0 HG11 VAL A 56 4.991 -15.287 4.249 1.00 64.04 H new ATOM 0 HG12 VAL A 56 5.527 -13.765 5.000 1.00 64.04 H new ATOM 0 HG13 VAL A 56 3.798 -14.187 4.980 1.00 64.04 H new ATOM 0 HG21 VAL A 56 3.860 -15.289 2.025 1.00 71.54 H new ATOM 0 HG22 VAL A 56 2.566 -14.196 2.569 1.00 71.54 H new ATOM 0 HG23 VAL A 56 3.558 -13.765 1.157 1.00 71.54 H new ATOM 915 N THR A 57 1.816 -11.533 2.933 1.00 40.40 N ATOM 916 CA THR A 57 0.417 -11.243 3.293 1.00 21.43 C ATOM 917 C THR A 57 -0.492 -12.453 2.990 1.00 51.33 C ATOM 918 O THR A 57 -0.163 -13.305 2.156 1.00 54.24 O ATOM 919 CB THR A 57 -0.112 -9.994 2.512 1.00 5.24 C ATOM 920 OG1 THR A 57 -0.060 -10.237 1.100 1.00 35.11 O ATOM 921 CG2 THR A 57 0.700 -8.726 2.833 1.00 31.42 C ATOM 0 H THR A 57 1.994 -11.492 1.930 1.00 40.40 H new ATOM 0 HA THR A 57 0.391 -11.035 4.363 1.00 21.43 H new ATOM 0 HB THR A 57 -1.142 -9.830 2.829 1.00 5.24 H new ATOM 0 HG1 THR A 57 -0.395 -9.451 0.620 1.00 35.11 H new ATOM 0 HG21 THR A 57 0.298 -7.884 2.269 1.00 31.42 H new ATOM 0 HG22 THR A 57 0.635 -8.512 3.900 1.00 31.42 H new ATOM 0 HG23 THR A 57 1.743 -8.882 2.558 1.00 31.42 H new ATOM 929 N SER A 58 -1.635 -12.511 3.686 1.00 25.50 N ATOM 930 CA SER A 58 -2.648 -13.577 3.521 1.00 25.12 C ATOM 931 C SER A 58 -4.042 -13.054 3.925 1.00 0.15 C ATOM 932 O SER A 58 -4.169 -11.945 4.456 1.00 35.22 O ATOM 933 CB SER A 58 -2.267 -14.822 4.371 1.00 50.45 C ATOM 934 OG SER A 58 -3.168 -15.903 4.158 1.00 51.32 O ATOM 0 H SER A 58 -1.891 -11.816 4.387 1.00 25.50 H new ATOM 0 HA SER A 58 -2.678 -13.872 2.472 1.00 25.12 H new ATOM 0 HB2 SER A 58 -1.254 -15.138 4.120 1.00 50.45 H new ATOM 0 HB3 SER A 58 -2.264 -14.554 5.428 1.00 50.45 H new ATOM 0 HG SER A 58 -2.897 -16.668 4.707 1.00 51.32 H new ATOM 940 N GLU A 59 -5.091 -13.847 3.654 1.00 50.20 N ATOM 941 CA GLU A 59 -6.480 -13.508 4.043 1.00 43.52 C ATOM 942 C GLU A 59 -7.076 -14.587 4.971 1.00 54.11 C ATOM 943 O GLU A 59 -7.096 -15.770 4.618 1.00 42.41 O ATOM 944 CB GLU A 59 -7.381 -13.364 2.784 1.00 30.10 C ATOM 945 CG GLU A 59 -8.824 -12.894 3.088 1.00 71.25 C ATOM 946 CD GLU A 59 -9.796 -13.092 1.910 1.00 1.53 C ATOM 947 OE1 GLU A 59 -9.773 -12.282 0.965 1.00 11.44 O ATOM 948 OE2 GLU A 59 -10.585 -14.067 1.929 1.00 41.23 O ATOM 0 H GLU A 59 -5.007 -14.737 3.162 1.00 50.20 H new ATOM 0 HA GLU A 59 -6.448 -12.559 4.578 1.00 43.52 H new ATOM 0 HB2 GLU A 59 -6.917 -12.656 2.098 1.00 30.10 H new ATOM 0 HB3 GLU A 59 -7.424 -14.324 2.270 1.00 30.10 H new ATOM 0 HG2 GLU A 59 -9.200 -13.438 3.954 1.00 71.25 H new ATOM 0 HG3 GLU A 59 -8.804 -11.838 3.359 1.00 71.25 H new ATOM 955 N VAL A 60 -7.566 -14.168 6.148 1.00 53.15 N ATOM 956 CA VAL A 60 -8.399 -15.012 7.027 1.00 41.33 C ATOM 957 C VAL A 60 -9.844 -14.467 7.029 1.00 75.10 C ATOM 958 O VAL A 60 -10.120 -13.402 7.594 1.00 31.14 O ATOM 959 CB VAL A 60 -7.822 -15.092 8.497 1.00 65.40 C ATOM 960 CG1 VAL A 60 -8.845 -15.705 9.495 1.00 22.35 C ATOM 961 CG2 VAL A 60 -6.505 -15.906 8.506 1.00 2.12 C ATOM 0 H VAL A 60 -7.397 -13.233 6.520 1.00 53.15 H new ATOM 0 HA VAL A 60 -8.392 -16.030 6.636 1.00 41.33 H new ATOM 0 HB VAL A 60 -7.620 -14.073 8.828 1.00 65.40 H new ATOM 0 HG11 VAL A 60 -8.405 -15.740 10.492 1.00 22.35 H new ATOM 0 HG12 VAL A 60 -9.745 -15.090 9.517 1.00 22.35 H new ATOM 0 HG13 VAL A 60 -9.103 -16.715 9.177 1.00 22.35 H new ATOM 0 HG21 VAL A 60 -6.115 -15.956 9.523 1.00 2.12 H new ATOM 0 HG22 VAL A 60 -6.698 -16.915 8.142 1.00 2.12 H new ATOM 0 HG23 VAL A 60 -5.773 -15.421 7.860 1.00 2.12 H new ATOM 971 N GLU A 61 -10.737 -15.218 6.354 1.00 15.34 N ATOM 972 CA GLU A 61 -12.203 -14.989 6.323 1.00 23.25 C ATOM 973 C GLU A 61 -12.602 -13.537 5.926 1.00 3.25 C ATOM 974 O GLU A 61 -13.452 -12.902 6.565 1.00 41.15 O ATOM 975 CB GLU A 61 -12.828 -15.443 7.674 1.00 1.05 C ATOM 976 CG GLU A 61 -12.413 -16.873 8.103 1.00 64.24 C ATOM 977 CD GLU A 61 -13.196 -17.410 9.310 1.00 55.40 C ATOM 978 OE1 GLU A 61 -14.293 -17.986 9.115 1.00 52.32 O ATOM 979 OE2 GLU A 61 -12.724 -17.261 10.460 1.00 62.51 O ATOM 0 H GLU A 61 -10.454 -16.025 5.798 1.00 15.34 H new ATOM 0 HA GLU A 61 -12.619 -15.602 5.524 1.00 23.25 H new ATOM 0 HB2 GLU A 61 -12.535 -14.740 8.454 1.00 1.05 H new ATOM 0 HB3 GLU A 61 -13.914 -15.398 7.595 1.00 1.05 H new ATOM 0 HG2 GLU A 61 -12.553 -17.550 7.260 1.00 64.24 H new ATOM 0 HG3 GLU A 61 -11.349 -16.876 8.341 1.00 64.24 H new ATOM 986 N GLY A 62 -11.991 -13.041 4.827 1.00 64.03 N ATOM 987 CA GLY A 62 -12.259 -11.683 4.311 1.00 12.03 C ATOM 988 C GLY A 62 -11.412 -10.571 4.946 1.00 52.01 C ATOM 989 O GLY A 62 -11.505 -9.411 4.532 1.00 42.33 O ATOM 0 H GLY A 62 -11.307 -13.564 4.280 1.00 64.03 H new ATOM 0 HA2 GLY A 62 -12.089 -11.679 3.234 1.00 12.03 H new ATOM 0 HA3 GLY A 62 -13.313 -11.452 4.468 1.00 12.03 H new ATOM 993 N GLU A 63 -10.580 -10.914 5.941 1.00 52.40 N ATOM 994 CA GLU A 63 -9.776 -9.924 6.703 1.00 10.23 C ATOM 995 C GLU A 63 -8.262 -10.164 6.509 1.00 64.01 C ATOM 996 O GLU A 63 -7.828 -11.291 6.263 1.00 62.50 O ATOM 997 CB GLU A 63 -10.166 -9.978 8.207 1.00 42.15 C ATOM 998 CG GLU A 63 -11.696 -9.918 8.454 1.00 4.01 C ATOM 999 CD GLU A 63 -12.079 -9.559 9.898 1.00 11.32 C ATOM 1000 OE1 GLU A 63 -12.092 -10.450 10.778 1.00 53.22 O ATOM 1001 OE2 GLU A 63 -12.375 -8.372 10.154 1.00 35.20 O ATOM 0 H GLU A 63 -10.440 -11.878 6.245 1.00 52.40 H new ATOM 0 HA GLU A 63 -9.995 -8.927 6.320 1.00 10.23 H new ATOM 0 HB2 GLU A 63 -9.772 -10.896 8.643 1.00 42.15 H new ATOM 0 HB3 GLU A 63 -9.689 -9.147 8.727 1.00 42.15 H new ATOM 0 HG2 GLU A 63 -12.135 -9.184 7.779 1.00 4.01 H new ATOM 0 HG3 GLU A 63 -12.133 -10.884 8.202 1.00 4.01 H new ATOM 1008 N ILE A 64 -7.466 -9.088 6.624 1.00 20.43 N ATOM 1009 CA ILE A 64 -6.016 -9.122 6.332 1.00 15.04 C ATOM 1010 C ILE A 64 -5.211 -9.768 7.495 1.00 33.41 C ATOM 1011 O ILE A 64 -5.215 -9.268 8.622 1.00 44.44 O ATOM 1012 CB ILE A 64 -5.482 -7.674 6.023 1.00 0.25 C ATOM 1013 CG1 ILE A 64 -6.270 -7.047 4.826 1.00 21.40 C ATOM 1014 CG2 ILE A 64 -3.961 -7.677 5.745 1.00 4.32 C ATOM 1015 CD1 ILE A 64 -5.847 -5.636 4.446 1.00 1.42 C ATOM 0 H ILE A 64 -7.804 -8.172 6.920 1.00 20.43 H new ATOM 0 HA ILE A 64 -5.871 -9.744 5.449 1.00 15.04 H new ATOM 0 HB ILE A 64 -5.648 -7.059 6.907 1.00 0.25 H new ATOM 0 HG12 ILE A 64 -6.152 -7.692 3.955 1.00 21.40 H new ATOM 0 HG13 ILE A 64 -7.331 -7.037 5.075 1.00 21.40 H new ATOM 0 HG21 ILE A 64 -3.627 -6.661 5.536 1.00 4.32 H new ATOM 0 HG22 ILE A 64 -3.432 -8.060 6.618 1.00 4.32 H new ATOM 0 HG23 ILE A 64 -3.750 -8.313 4.885 1.00 4.32 H new ATOM 0 HD11 ILE A 64 -6.450 -5.289 3.607 1.00 1.42 H new ATOM 0 HD12 ILE A 64 -5.992 -4.971 5.297 1.00 1.42 H new ATOM 0 HD13 ILE A 64 -4.795 -5.636 4.161 1.00 1.42 H new ATOM 1027 N PHE A 65 -4.539 -10.888 7.184 1.00 11.52 N ATOM 1028 CA PHE A 65 -3.640 -11.625 8.103 1.00 72.10 C ATOM 1029 C PHE A 65 -2.205 -11.611 7.521 1.00 24.35 C ATOM 1030 O PHE A 65 -1.950 -12.241 6.493 1.00 70.43 O ATOM 1031 CB PHE A 65 -4.163 -13.081 8.254 1.00 63.53 C ATOM 1032 CG PHE A 65 -3.318 -14.013 9.138 1.00 12.50 C ATOM 1033 CD1 PHE A 65 -3.567 -14.125 10.506 1.00 1.14 C ATOM 1034 CD2 PHE A 65 -2.288 -14.791 8.596 1.00 72.12 C ATOM 1035 CE1 PHE A 65 -2.820 -14.976 11.298 1.00 0.33 C ATOM 1036 CE2 PHE A 65 -1.543 -15.640 9.393 1.00 73.55 C ATOM 1037 CZ PHE A 65 -1.810 -15.734 10.741 1.00 2.44 C ATOM 0 H PHE A 65 -4.604 -11.322 6.263 1.00 11.52 H new ATOM 0 HA PHE A 65 -3.622 -11.154 9.086 1.00 72.10 H new ATOM 0 HB2 PHE A 65 -5.173 -13.043 8.662 1.00 63.53 H new ATOM 0 HB3 PHE A 65 -4.238 -13.524 7.261 1.00 63.53 H new ATOM 0 HD1 PHE A 65 -4.356 -13.538 10.953 1.00 1.14 H new ATOM 0 HD2 PHE A 65 -2.072 -14.727 7.540 1.00 72.12 H new ATOM 0 HE1 PHE A 65 -3.027 -15.048 12.356 1.00 0.33 H new ATOM 0 HE2 PHE A 65 -0.750 -16.231 8.958 1.00 73.55 H new ATOM 0 HZ PHE A 65 -1.229 -16.400 11.362 1.00 2.44 H new ATOM 1047 N VAL A 66 -1.270 -10.891 8.158 1.00 33.02 N ATOM 1048 CA VAL A 66 0.113 -10.735 7.629 1.00 34.23 C ATOM 1049 C VAL A 66 1.174 -11.270 8.610 1.00 74.34 C ATOM 1050 O VAL A 66 0.907 -11.431 9.803 1.00 72.11 O ATOM 1051 CB VAL A 66 0.420 -9.240 7.261 1.00 44.00 C ATOM 1052 CG1 VAL A 66 -0.587 -8.730 6.217 1.00 72.25 C ATOM 1053 CG2 VAL A 66 0.424 -8.324 8.505 1.00 1.33 C ATOM 0 H VAL A 66 -1.436 -10.405 9.039 1.00 33.02 H new ATOM 0 HA VAL A 66 0.167 -11.335 6.721 1.00 34.23 H new ATOM 0 HB VAL A 66 1.423 -9.207 6.835 1.00 44.00 H new ATOM 0 HG11 VAL A 66 -0.362 -7.692 5.971 1.00 72.25 H new ATOM 0 HG12 VAL A 66 -0.517 -9.340 5.316 1.00 72.25 H new ATOM 0 HG13 VAL A 66 -1.597 -8.796 6.623 1.00 72.25 H new ATOM 0 HG21 VAL A 66 0.641 -7.300 8.202 1.00 1.33 H new ATOM 0 HG22 VAL A 66 -0.553 -8.361 8.987 1.00 1.33 H new ATOM 0 HG23 VAL A 66 1.187 -8.664 9.205 1.00 1.33 H new ATOM 1063 N LYS A 67 2.374 -11.566 8.072 1.00 74.24 N ATOM 1064 CA LYS A 67 3.526 -12.062 8.865 1.00 62.00 C ATOM 1065 C LYS A 67 4.835 -11.705 8.157 1.00 60.45 C ATOM 1066 O LYS A 67 4.810 -11.308 7.003 1.00 52.10 O ATOM 1067 CB LYS A 67 3.448 -13.610 9.108 1.00 4.23 C ATOM 1068 CG LYS A 67 3.233 -14.509 7.856 1.00 4.44 C ATOM 1069 CD LYS A 67 1.757 -14.545 7.374 1.00 32.52 C ATOM 1070 CE LYS A 67 1.559 -15.393 6.107 1.00 23.34 C ATOM 1071 NZ LYS A 67 1.954 -16.816 6.300 1.00 44.30 N ATOM 0 H LYS A 67 2.576 -11.469 7.077 1.00 74.24 H new ATOM 0 HA LYS A 67 3.492 -11.577 9.840 1.00 62.00 H new ATOM 0 HB2 LYS A 67 4.371 -13.924 9.597 1.00 4.23 H new ATOM 0 HB3 LYS A 67 2.635 -13.803 9.808 1.00 4.23 H new ATOM 0 HG2 LYS A 67 3.865 -14.147 7.045 1.00 4.44 H new ATOM 0 HG3 LYS A 67 3.558 -15.524 8.085 1.00 4.44 H new ATOM 0 HD2 LYS A 67 1.130 -14.942 8.172 1.00 32.52 H new ATOM 0 HD3 LYS A 67 1.419 -13.527 7.180 1.00 32.52 H new ATOM 0 HE2 LYS A 67 0.513 -15.348 5.805 1.00 23.34 H new ATOM 0 HE3 LYS A 67 2.144 -14.965 5.293 1.00 23.34 H new ATOM 0 HZ1 LYS A 67 1.722 -17.360 5.444 1.00 44.30 H new ATOM 0 HZ2 LYS A 67 2.977 -16.871 6.478 1.00 44.30 H new ATOM 0 HZ3 LYS A 67 1.439 -17.212 7.112 1.00 44.30 H new ATOM 1085 N LEU A 68 5.976 -11.849 8.851 1.00 44.00 N ATOM 1086 CA LEU A 68 7.306 -11.662 8.223 1.00 42.12 C ATOM 1087 C LEU A 68 7.627 -12.825 7.248 1.00 4.12 C ATOM 1088 O LEU A 68 6.881 -13.813 7.176 1.00 42.33 O ATOM 1089 CB LEU A 68 8.414 -11.545 9.311 1.00 54.04 C ATOM 1090 CG LEU A 68 8.241 -10.397 10.355 1.00 71.32 C ATOM 1091 CD1 LEU A 68 9.462 -10.303 11.291 1.00 64.53 C ATOM 1092 CD2 LEU A 68 7.959 -9.044 9.672 1.00 42.44 C ATOM 0 H LEU A 68 6.011 -12.093 9.841 1.00 44.00 H new ATOM 0 HA LEU A 68 7.281 -10.734 7.651 1.00 42.12 H new ATOM 0 HB2 LEU A 68 8.466 -12.492 9.849 1.00 54.04 H new ATOM 0 HB3 LEU A 68 9.372 -11.410 8.810 1.00 54.04 H new ATOM 0 HG LEU A 68 7.371 -10.643 10.964 1.00 71.32 H new ATOM 0 HD11 LEU A 68 9.311 -9.494 12.006 1.00 64.53 H new ATOM 0 HD12 LEU A 68 9.582 -11.244 11.828 1.00 64.53 H new ATOM 0 HD13 LEU A 68 10.357 -10.104 10.702 1.00 64.53 H new ATOM 0 HD21 LEU A 68 7.845 -8.270 10.431 1.00 42.44 H new ATOM 0 HD22 LEU A 68 8.790 -8.788 9.015 1.00 42.44 H new ATOM 0 HD23 LEU A 68 7.043 -9.116 9.086 1.00 42.44 H new ATOM 1104 N VAL A 69 8.719 -12.692 6.477 1.00 62.51 N ATOM 1105 CA VAL A 69 9.224 -13.799 5.627 1.00 15.41 C ATOM 1106 C VAL A 69 9.790 -14.922 6.535 1.00 24.41 C ATOM 1107 O VAL A 69 10.933 -14.850 7.008 1.00 65.32 O ATOM 1108 CB VAL A 69 10.302 -13.294 4.589 1.00 22.21 C ATOM 1109 CG1 VAL A 69 10.865 -14.446 3.710 1.00 23.11 C ATOM 1110 CG2 VAL A 69 9.725 -12.168 3.698 1.00 51.14 C ATOM 0 H VAL A 69 9.271 -11.836 6.420 1.00 62.51 H new ATOM 0 HA VAL A 69 8.396 -14.199 5.041 1.00 15.41 H new ATOM 0 HB VAL A 69 11.134 -12.894 5.170 1.00 22.21 H new ATOM 0 HG11 VAL A 69 11.602 -14.046 3.014 1.00 23.11 H new ATOM 0 HG12 VAL A 69 11.337 -15.193 4.348 1.00 23.11 H new ATOM 0 HG13 VAL A 69 10.051 -14.908 3.151 1.00 23.11 H new ATOM 0 HG21 VAL A 69 10.486 -11.837 2.992 1.00 51.14 H new ATOM 0 HG22 VAL A 69 8.861 -12.544 3.150 1.00 51.14 H new ATOM 0 HG23 VAL A 69 9.421 -11.329 4.324 1.00 51.14 H new ATOM 1120 N LEU A 70 8.933 -15.919 6.835 1.00 54.42 N ATOM 1121 CA LEU A 70 9.249 -17.005 7.789 1.00 30.40 C ATOM 1122 C LEU A 70 10.241 -18.017 7.158 1.00 50.23 C ATOM 1123 O LEU A 70 9.839 -18.929 6.427 1.00 30.23 O ATOM 1124 CB LEU A 70 7.947 -17.730 8.260 1.00 43.01 C ATOM 1125 CG LEU A 70 6.769 -16.823 8.765 1.00 22.12 C ATOM 1126 CD1 LEU A 70 5.561 -17.675 9.213 1.00 35.41 C ATOM 1127 CD2 LEU A 70 7.211 -15.858 9.888 1.00 74.14 C ATOM 0 H LEU A 70 8.003 -15.995 6.424 1.00 54.42 H new ATOM 0 HA LEU A 70 9.724 -16.559 8.663 1.00 30.40 H new ATOM 0 HB2 LEU A 70 7.578 -18.335 7.432 1.00 43.01 H new ATOM 0 HB3 LEU A 70 8.214 -18.417 9.063 1.00 43.01 H new ATOM 0 HG LEU A 70 6.460 -16.209 7.919 1.00 22.12 H new ATOM 0 HD11 LEU A 70 4.761 -17.019 9.557 1.00 35.41 H new ATOM 0 HD12 LEU A 70 5.205 -18.271 8.373 1.00 35.41 H new ATOM 0 HD13 LEU A 70 5.863 -18.336 10.025 1.00 35.41 H new ATOM 0 HD21 LEU A 70 6.361 -15.253 10.203 1.00 74.14 H new ATOM 0 HD22 LEU A 70 7.582 -16.433 10.737 1.00 74.14 H new ATOM 0 HD23 LEU A 70 8.003 -15.207 9.517 1.00 74.14 H new ATOM 1139 N GLU A 71 11.544 -17.805 7.400 1.00 14.23 N ATOM 1140 CA GLU A 71 12.627 -18.706 6.929 1.00 74.14 C ATOM 1141 C GLU A 71 13.397 -19.313 8.125 1.00 5.15 C ATOM 1142 O GLU A 71 13.787 -20.489 8.105 1.00 33.14 O ATOM 1143 CB GLU A 71 13.600 -17.914 6.009 1.00 1.12 C ATOM 1144 CG GLU A 71 14.724 -18.762 5.373 1.00 33.33 C ATOM 1145 CD GLU A 71 15.682 -17.940 4.489 1.00 50.55 C ATOM 1146 OE1 GLU A 71 16.604 -17.296 5.039 1.00 51.22 O ATOM 1147 OE2 GLU A 71 15.513 -17.930 3.250 1.00 0.35 O ATOM 0 H GLU A 71 11.886 -17.003 7.929 1.00 14.23 H new ATOM 0 HA GLU A 71 12.181 -19.524 6.364 1.00 74.14 H new ATOM 0 HB2 GLU A 71 13.023 -17.444 5.212 1.00 1.12 H new ATOM 0 HB3 GLU A 71 14.054 -17.111 6.590 1.00 1.12 H new ATOM 0 HG2 GLU A 71 15.296 -19.246 6.164 1.00 33.33 H new ATOM 0 HG3 GLU A 71 14.277 -19.554 4.773 1.00 33.33 H new ATOM 1154 N HIS A 72 13.612 -18.489 9.165 1.00 72.14 N ATOM 1155 CA HIS A 72 14.417 -18.862 10.348 1.00 62.34 C ATOM 1156 C HIS A 72 13.526 -19.357 11.511 1.00 5.11 C ATOM 1157 O HIS A 72 12.409 -18.859 11.722 1.00 25.40 O ATOM 1158 CB HIS A 72 15.293 -17.659 10.782 1.00 1.23 C ATOM 1159 CG HIS A 72 16.289 -17.245 9.725 1.00 14.40 C ATOM 1160 ND1 HIS A 72 17.590 -17.696 9.696 1.00 13.01 N ATOM 1161 CD2 HIS A 72 16.148 -16.467 8.622 1.00 62.04 C ATOM 1162 CE1 HIS A 72 18.198 -17.222 8.625 1.00 31.10 C ATOM 1163 NE2 HIS A 72 17.349 -16.477 7.955 1.00 21.32 N ATOM 0 H HIS A 72 13.233 -17.543 9.212 1.00 72.14 H new ATOM 0 HA HIS A 72 15.068 -19.693 10.076 1.00 62.34 H new ATOM 0 HB2 HIS A 72 14.648 -16.813 11.017 1.00 1.23 H new ATOM 0 HB3 HIS A 72 15.827 -17.916 11.696 1.00 1.23 H new ATOM 0 HD2 HIS A 72 15.255 -15.937 8.323 1.00 62.04 H new ATOM 0 HE1 HIS A 72 19.223 -17.415 8.346 1.00 31.10 H new ATOM 0 HE2 HIS A 72 17.548 -15.987 7.083 1.00 21.32 H new ATOM 1172 N HIS A 73 14.068 -20.327 12.273 1.00 65.34 N ATOM 1173 CA HIS A 73 13.355 -21.042 13.368 1.00 52.01 C ATOM 1174 C HIS A 73 12.873 -20.121 14.533 1.00 61.11 C ATOM 1175 O HIS A 73 12.046 -20.535 15.348 1.00 23.44 O ATOM 1176 CB HIS A 73 14.258 -22.190 13.911 1.00 31.32 C ATOM 1177 CG HIS A 73 15.677 -21.791 14.258 1.00 32.32 C ATOM 1178 ND1 HIS A 73 16.782 -22.493 13.821 1.00 55.14 N ATOM 1179 CD2 HIS A 73 16.171 -20.778 15.016 1.00 74.23 C ATOM 1180 CE1 HIS A 73 17.878 -21.940 14.297 1.00 40.41 C ATOM 1181 NE2 HIS A 73 17.537 -20.900 15.024 1.00 14.01 N ATOM 0 H HIS A 73 15.029 -20.646 12.149 1.00 65.34 H new ATOM 0 HA HIS A 73 12.443 -21.448 12.930 1.00 52.01 H new ATOM 0 HB2 HIS A 73 13.788 -22.609 14.801 1.00 31.32 H new ATOM 0 HB3 HIS A 73 14.294 -22.985 13.166 1.00 31.32 H new ATOM 0 HD2 HIS A 73 15.594 -20.016 15.520 1.00 74.23 H new ATOM 0 HE1 HIS A 73 18.887 -22.283 14.120 1.00 40.41 H new ATOM 0 HE2 HIS A 73 18.184 -20.283 15.515 1.00 14.01 H new ATOM 1190 N HIS A 74 13.398 -18.878 14.599 1.00 72.10 N ATOM 1191 CA HIS A 74 13.045 -17.891 15.656 1.00 51.51 C ATOM 1192 C HIS A 74 11.558 -17.411 15.552 1.00 14.42 C ATOM 1193 O HIS A 74 10.991 -16.897 16.523 1.00 61.11 O ATOM 1194 CB HIS A 74 14.035 -16.694 15.584 1.00 23.40 C ATOM 1195 CG HIS A 74 13.876 -15.682 16.688 1.00 44.04 C ATOM 1196 ND1 HIS A 74 13.476 -14.379 16.466 1.00 72.24 N ATOM 1197 CD2 HIS A 74 14.058 -15.789 18.027 1.00 10.24 C ATOM 1198 CE1 HIS A 74 13.407 -13.738 17.616 1.00 22.13 C ATOM 1199 NE2 HIS A 74 13.754 -14.568 18.573 1.00 74.32 N ATOM 0 H HIS A 74 14.078 -18.526 13.925 1.00 72.10 H new ATOM 0 HA HIS A 74 13.134 -18.379 16.627 1.00 51.51 H new ATOM 0 HB2 HIS A 74 15.054 -17.080 15.607 1.00 23.40 H new ATOM 0 HB3 HIS A 74 13.907 -16.190 14.626 1.00 23.40 H new ATOM 0 HD2 HIS A 74 14.381 -16.669 18.563 1.00 10.24 H new ATOM 0 HE1 HIS A 74 13.115 -12.707 17.749 1.00 22.13 H new ATOM 0 HE2 HIS A 74 13.792 -14.340 19.567 1.00 74.32 H new ATOM 1208 N HIS A 75 10.942 -17.585 14.369 1.00 43.00 N ATOM 1209 CA HIS A 75 9.500 -17.289 14.135 1.00 74.14 C ATOM 1210 C HIS A 75 8.660 -18.585 13.976 1.00 20.25 C ATOM 1211 O HIS A 75 7.496 -18.526 13.570 1.00 42.20 O ATOM 1212 CB HIS A 75 9.356 -16.377 12.882 1.00 21.31 C ATOM 1213 CG HIS A 75 9.572 -14.914 13.169 1.00 55.43 C ATOM 1214 ND1 HIS A 75 10.785 -14.387 13.542 1.00 4.52 N ATOM 1215 CD2 HIS A 75 8.705 -13.877 13.169 1.00 1.54 C ATOM 1216 CE1 HIS A 75 10.651 -13.097 13.771 1.00 12.15 C ATOM 1217 NE2 HIS A 75 9.400 -12.761 13.548 1.00 2.54 N ATOM 0 H HIS A 75 11.423 -17.935 13.541 1.00 43.00 H new ATOM 0 HA HIS A 75 9.111 -16.768 15.010 1.00 74.14 H new ATOM 0 HB2 HIS A 75 10.071 -16.699 12.125 1.00 21.31 H new ATOM 0 HB3 HIS A 75 8.361 -16.512 12.458 1.00 21.31 H new ATOM 0 HD1 HIS A 75 11.654 -14.913 13.628 1.00 4.52 H new ATOM 0 HD2 HIS A 75 7.656 -13.921 12.916 1.00 1.54 H new ATOM 0 HE1 HIS A 75 11.437 -12.428 14.089 1.00 12.15 H new ATOM 1226 N HIS A 76 9.242 -19.745 14.334 1.00 30.12 N ATOM 1227 CA HIS A 76 8.562 -21.056 14.226 1.00 73.42 C ATOM 1228 C HIS A 76 8.120 -21.553 15.621 1.00 23.41 C ATOM 1229 O HIS A 76 8.960 -21.852 16.475 1.00 60.50 O ATOM 1230 CB HIS A 76 9.503 -22.085 13.548 1.00 34.13 C ATOM 1231 CG HIS A 76 8.871 -23.436 13.309 1.00 31.23 C ATOM 1232 ND1 HIS A 76 8.154 -23.738 12.173 1.00 30.20 N ATOM 1233 CD2 HIS A 76 8.832 -24.554 14.073 1.00 71.32 C ATOM 1234 CE1 HIS A 76 7.698 -24.974 12.251 1.00 0.32 C ATOM 1235 NE2 HIS A 76 8.098 -25.493 13.390 1.00 40.12 N ATOM 0 H HIS A 76 10.191 -19.804 14.704 1.00 30.12 H new ATOM 0 HA HIS A 76 7.670 -20.942 13.610 1.00 73.42 H new ATOM 0 HB2 HIS A 76 9.840 -21.680 12.594 1.00 34.13 H new ATOM 0 HB3 HIS A 76 10.389 -22.215 14.169 1.00 34.13 H new ATOM 0 HD2 HIS A 76 9.293 -24.683 15.041 1.00 71.32 H new ATOM 0 HE1 HIS A 76 7.098 -25.474 11.505 1.00 0.32 H new ATOM 0 HE2 HIS A 76 7.896 -26.439 13.714 1.00 40.12 H new ATOM 1244 N HIS A 77 6.794 -21.625 15.847 1.00 62.11 N ATOM 1245 CA HIS A 77 6.207 -22.170 17.099 1.00 71.15 C ATOM 1246 C HIS A 77 5.145 -23.226 16.765 1.00 35.35 C ATOM 1247 O HIS A 77 4.314 -23.048 15.859 1.00 35.33 O ATOM 1248 CB HIS A 77 5.588 -21.033 17.958 1.00 1.43 C ATOM 1249 CG HIS A 77 6.551 -19.914 18.254 1.00 61.33 C ATOM 1250 ND1 HIS A 77 6.491 -18.687 17.629 1.00 71.35 N ATOM 1251 CD2 HIS A 77 7.624 -19.856 19.079 1.00 30.32 C ATOM 1252 CE1 HIS A 77 7.481 -17.930 18.051 1.00 73.50 C ATOM 1253 NE2 HIS A 77 8.183 -18.611 18.933 1.00 53.12 N ATOM 0 H HIS A 77 6.097 -21.310 15.173 1.00 62.11 H new ATOM 0 HA HIS A 77 7.002 -22.639 17.679 1.00 71.15 H new ATOM 0 HB2 HIS A 77 4.720 -20.627 17.439 1.00 1.43 H new ATOM 0 HB3 HIS A 77 5.230 -21.452 18.898 1.00 1.43 H new ATOM 0 HD1 HIS A 77 5.788 -18.409 16.945 1.00 71.35 H new ATOM 0 HD2 HIS A 77 7.974 -20.643 19.730 1.00 30.32 H new ATOM 0 HE1 HIS A 77 7.684 -16.920 17.728 1.00 73.50 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 -0.246 -20.266 -9.752 1.00 34.50 N ATOM 1264 CA MET B 1 -0.498 -19.706 -8.417 1.00 30.32 C ATOM 1265 C MET B 1 0.728 -18.914 -7.896 1.00 51.23 C ATOM 1266 O MET B 1 1.803 -19.481 -7.668 1.00 51.11 O ATOM 1267 CB MET B 1 -0.892 -20.825 -7.409 1.00 33.30 C ATOM 1268 CG MET B 1 -2.280 -21.441 -7.638 1.00 52.21 C ATOM 1269 SD MET B 1 -2.476 -22.183 -9.274 1.00 64.33 S ATOM 1270 CE MET B 1 -4.160 -22.791 -9.192 1.00 55.32 C ATOM 0 H1 MET B 1 -0.910 -21.046 -9.932 1.00 34.50 H new ATOM 0 H2 MET B 1 -0.379 -19.525 -10.470 1.00 34.50 H new ATOM 0 H3 MET B 1 0.729 -20.624 -9.800 1.00 34.50 H new ATOM 0 HA MET B 1 -1.334 -19.012 -8.506 1.00 30.32 H new ATOM 0 HB2 MET B 1 -0.146 -21.618 -7.459 1.00 33.30 H new ATOM 0 HB3 MET B 1 -0.854 -20.415 -6.400 1.00 33.30 H new ATOM 0 HG2 MET B 1 -2.461 -22.201 -6.878 1.00 52.21 H new ATOM 0 HG3 MET B 1 -3.038 -20.669 -7.504 1.00 52.21 H new ATOM 0 HE1 MET B 1 -4.419 -23.274 -10.134 1.00 55.32 H new ATOM 0 HE2 MET B 1 -4.247 -23.512 -8.379 1.00 55.32 H new ATOM 0 HE3 MET B 1 -4.839 -21.958 -9.013 1.00 55.32 H new ATOM 1280 N LYS B 2 0.550 -17.591 -7.723 1.00 54.12 N ATOM 1281 CA LYS B 2 1.568 -16.689 -7.129 1.00 14.15 C ATOM 1282 C LYS B 2 0.956 -15.907 -5.939 1.00 13.41 C ATOM 1283 O LYS B 2 -0.268 -15.891 -5.760 1.00 30.01 O ATOM 1284 CB LYS B 2 2.112 -15.701 -8.204 1.00 1.13 C ATOM 1285 CG LYS B 2 2.805 -16.359 -9.421 1.00 61.23 C ATOM 1286 CD LYS B 2 4.107 -17.116 -9.057 1.00 31.34 C ATOM 1287 CE LYS B 2 5.250 -16.185 -8.609 1.00 43.14 C ATOM 1288 NZ LYS B 2 5.714 -15.286 -9.699 1.00 3.25 N ATOM 0 H LYS B 2 -0.308 -17.110 -7.992 1.00 54.12 H new ATOM 0 HA LYS B 2 2.399 -17.292 -6.763 1.00 14.15 H new ATOM 0 HB2 LYS B 2 1.284 -15.092 -8.565 1.00 1.13 H new ATOM 0 HB3 LYS B 2 2.821 -15.025 -7.726 1.00 1.13 H new ATOM 0 HG2 LYS B 2 2.110 -17.054 -9.893 1.00 61.23 H new ATOM 0 HG3 LYS B 2 3.036 -15.589 -10.158 1.00 61.23 H new ATOM 0 HD2 LYS B 2 3.894 -17.828 -8.259 1.00 31.34 H new ATOM 0 HD3 LYS B 2 4.436 -17.694 -9.920 1.00 31.34 H new ATOM 0 HE2 LYS B 2 4.914 -15.583 -7.765 1.00 43.14 H new ATOM 0 HE3 LYS B 2 6.088 -16.787 -8.258 1.00 43.14 H new ATOM 0 HZ1 LYS B 2 6.653 -14.908 -9.461 1.00 3.25 H new ATOM 0 HZ2 LYS B 2 5.771 -15.821 -10.589 1.00 3.25 H new ATOM 0 HZ3 LYS B 2 5.043 -14.499 -9.810 1.00 3.25 H new ATOM 1302 N MET B 3 1.810 -15.254 -5.127 1.00 25.01 N ATOM 1303 CA MET B 3 1.360 -14.514 -3.919 1.00 10.50 C ATOM 1304 C MET B 3 0.784 -13.114 -4.265 1.00 63.21 C ATOM 1305 O MET B 3 0.809 -12.675 -5.416 1.00 14.43 O ATOM 1306 CB MET B 3 2.531 -14.383 -2.907 1.00 24.31 C ATOM 1307 CG MET B 3 3.033 -15.717 -2.324 1.00 65.42 C ATOM 1308 SD MET B 3 4.352 -15.497 -1.101 1.00 52.34 S ATOM 1309 CE MET B 3 5.670 -14.750 -2.068 1.00 72.24 C ATOM 0 H MET B 3 2.818 -15.221 -5.281 1.00 25.01 H new ATOM 0 HA MET B 3 0.552 -15.089 -3.467 1.00 10.50 H new ATOM 0 HB2 MET B 3 3.364 -13.882 -3.400 1.00 24.31 H new ATOM 0 HB3 MET B 3 2.213 -13.741 -2.086 1.00 24.31 H new ATOM 0 HG2 MET B 3 2.198 -16.243 -1.861 1.00 65.42 H new ATOM 0 HG3 MET B 3 3.397 -16.348 -3.135 1.00 65.42 H new ATOM 0 HE1 MET B 3 6.600 -14.779 -1.499 1.00 72.24 H new ATOM 0 HE2 MET B 3 5.797 -15.303 -2.999 1.00 72.24 H new ATOM 0 HE3 MET B 3 5.414 -13.715 -2.293 1.00 72.24 H new ATOM 1319 N LEU B 4 0.281 -12.421 -3.222 1.00 73.22 N ATOM 1320 CA LEU B 4 -0.295 -11.049 -3.334 1.00 13.34 C ATOM 1321 C LEU B 4 0.772 -9.995 -3.780 1.00 13.31 C ATOM 1322 O LEU B 4 0.423 -8.872 -4.164 1.00 23.30 O ATOM 1323 CB LEU B 4 -0.968 -10.619 -1.987 1.00 61.13 C ATOM 1324 CG LEU B 4 -2.173 -11.486 -1.453 1.00 35.22 C ATOM 1325 CD1 LEU B 4 -3.228 -11.734 -2.545 1.00 60.25 C ATOM 1326 CD2 LEU B 4 -1.700 -12.805 -0.795 1.00 41.15 C ATOM 0 H LEU B 4 0.259 -12.792 -2.272 1.00 73.22 H new ATOM 0 HA LEU B 4 -1.058 -11.083 -4.112 1.00 13.34 H new ATOM 0 HB2 LEU B 4 -0.197 -10.608 -1.217 1.00 61.13 H new ATOM 0 HB3 LEU B 4 -1.319 -9.593 -2.101 1.00 61.13 H new ATOM 0 HG LEU B 4 -2.656 -10.903 -0.669 1.00 35.22 H new ATOM 0 HD11 LEU B 4 -4.041 -12.335 -2.136 1.00 60.25 H new ATOM 0 HD12 LEU B 4 -3.622 -10.779 -2.894 1.00 60.25 H new ATOM 0 HD13 LEU B 4 -2.770 -12.264 -3.380 1.00 60.25 H new ATOM 0 HD21 LEU B 4 -2.565 -13.367 -0.443 1.00 41.15 H new ATOM 0 HD22 LEU B 4 -1.153 -13.401 -1.526 1.00 41.15 H new ATOM 0 HD23 LEU B 4 -1.048 -12.578 0.048 1.00 41.15 H new ATOM 1338 N LYS B 5 2.060 -10.381 -3.714 1.00 63.05 N ATOM 1339 CA LYS B 5 3.195 -9.598 -4.264 1.00 72.25 C ATOM 1340 C LYS B 5 3.069 -9.449 -5.800 1.00 60.13 C ATOM 1341 O LYS B 5 3.314 -8.375 -6.362 1.00 4.05 O ATOM 1342 CB LYS B 5 4.516 -10.333 -3.919 1.00 21.23 C ATOM 1343 CG LYS B 5 5.813 -9.630 -4.386 1.00 42.44 C ATOM 1344 CD LYS B 5 7.087 -10.438 -4.037 1.00 65.55 C ATOM 1345 CE LYS B 5 7.284 -10.622 -2.520 1.00 74.25 C ATOM 1346 NZ LYS B 5 8.435 -11.504 -2.205 1.00 2.55 N ATOM 0 H LYS B 5 2.350 -11.254 -3.274 1.00 63.05 H new ATOM 0 HA LYS B 5 3.188 -8.601 -3.824 1.00 72.25 H new ATOM 0 HB2 LYS B 5 4.565 -10.467 -2.838 1.00 21.23 H new ATOM 0 HB3 LYS B 5 4.484 -11.328 -4.362 1.00 21.23 H new ATOM 0 HG2 LYS B 5 5.770 -9.475 -5.464 1.00 42.44 H new ATOM 0 HG3 LYS B 5 5.874 -8.645 -3.924 1.00 42.44 H new ATOM 0 HD2 LYS B 5 7.032 -11.417 -4.512 1.00 65.55 H new ATOM 0 HD3 LYS B 5 7.958 -9.931 -4.452 1.00 65.55 H new ATOM 0 HE2 LYS B 5 7.437 -9.648 -2.055 1.00 74.25 H new ATOM 0 HE3 LYS B 5 6.377 -11.043 -2.086 1.00 74.25 H new ATOM 0 HZ1 LYS B 5 8.160 -12.183 -1.467 1.00 2.55 H new ATOM 0 HZ2 LYS B 5 8.721 -12.021 -3.061 1.00 2.55 H new ATOM 0 HZ3 LYS B 5 9.232 -10.928 -1.866 1.00 2.55 H new ATOM 1360 N GLU B 6 2.685 -10.564 -6.453 1.00 43.41 N ATOM 1361 CA GLU B 6 2.487 -10.632 -7.917 1.00 42.10 C ATOM 1362 C GLU B 6 1.355 -9.682 -8.369 1.00 64.42 C ATOM 1363 O GLU B 6 1.462 -9.024 -9.409 1.00 22.23 O ATOM 1364 CB GLU B 6 2.152 -12.086 -8.330 1.00 2.04 C ATOM 1365 CG GLU B 6 2.003 -12.326 -9.850 1.00 34.30 C ATOM 1366 CD GLU B 6 3.309 -12.132 -10.636 1.00 71.51 C ATOM 1367 OE1 GLU B 6 4.243 -12.941 -10.449 1.00 21.03 O ATOM 1368 OE2 GLU B 6 3.413 -11.184 -11.446 1.00 65.52 O ATOM 0 H GLU B 6 2.502 -11.448 -5.978 1.00 43.41 H new ATOM 0 HA GLU B 6 3.410 -10.317 -8.405 1.00 42.10 H new ATOM 0 HB2 GLU B 6 2.935 -12.743 -7.951 1.00 2.04 H new ATOM 0 HB3 GLU B 6 1.224 -12.380 -7.840 1.00 2.04 H new ATOM 0 HG2 GLU B 6 1.637 -13.339 -10.015 1.00 34.30 H new ATOM 0 HG3 GLU B 6 1.248 -11.646 -10.244 1.00 34.30 H new ATOM 1375 N LYS B 7 0.263 -9.657 -7.576 1.00 42.25 N ATOM 1376 CA LYS B 7 -0.847 -8.700 -7.757 1.00 1.53 C ATOM 1377 C LYS B 7 -0.335 -7.239 -7.751 1.00 23.45 C ATOM 1378 O LYS B 7 -0.582 -6.493 -8.691 1.00 31.32 O ATOM 1379 CB LYS B 7 -1.906 -8.885 -6.636 1.00 3.44 C ATOM 1380 CG LYS B 7 -2.998 -7.791 -6.618 1.00 74.45 C ATOM 1381 CD LYS B 7 -3.912 -7.846 -5.384 1.00 75.03 C ATOM 1382 CE LYS B 7 -4.853 -9.063 -5.376 1.00 23.21 C ATOM 1383 NZ LYS B 7 -5.810 -9.007 -4.245 1.00 42.52 N ATOM 0 H LYS B 7 0.127 -10.298 -6.795 1.00 42.25 H new ATOM 0 HA LYS B 7 -1.304 -8.902 -8.726 1.00 1.53 H new ATOM 0 HB2 LYS B 7 -2.382 -9.858 -6.757 1.00 3.44 H new ATOM 0 HB3 LYS B 7 -1.400 -8.896 -5.670 1.00 3.44 H new ATOM 0 HG2 LYS B 7 -2.519 -6.813 -6.661 1.00 74.45 H new ATOM 0 HG3 LYS B 7 -3.609 -7.886 -7.516 1.00 74.45 H new ATOM 0 HD2 LYS B 7 -3.296 -7.866 -4.485 1.00 75.03 H new ATOM 0 HD3 LYS B 7 -4.508 -6.934 -5.341 1.00 75.03 H new ATOM 0 HE2 LYS B 7 -5.403 -9.105 -6.316 1.00 23.21 H new ATOM 0 HE3 LYS B 7 -4.264 -9.978 -5.310 1.00 23.21 H new ATOM 0 HZ1 LYS B 7 -6.428 -9.843 -4.272 1.00 42.52 H new ATOM 0 HZ2 LYS B 7 -5.286 -8.992 -3.347 1.00 42.52 H new ATOM 0 HZ3 LYS B 7 -6.389 -8.146 -4.322 1.00 42.52 H new ATOM 1397 N ALA B 8 0.382 -6.865 -6.672 1.00 41.30 N ATOM 1398 CA ALA B 8 0.930 -5.498 -6.477 1.00 71.20 C ATOM 1399 C ALA B 8 1.829 -5.051 -7.661 1.00 41.03 C ATOM 1400 O ALA B 8 1.839 -3.876 -8.040 1.00 31.34 O ATOM 1401 CB ALA B 8 1.707 -5.446 -5.153 1.00 62.13 C ATOM 0 H ALA B 8 0.601 -7.502 -5.906 1.00 41.30 H new ATOM 0 HA ALA B 8 0.094 -4.799 -6.440 1.00 71.20 H new ATOM 0 HB1 ALA B 8 2.110 -4.444 -5.007 1.00 62.13 H new ATOM 0 HB2 ALA B 8 1.038 -5.691 -4.328 1.00 62.13 H new ATOM 0 HB3 ALA B 8 2.525 -6.166 -5.183 1.00 62.13 H new ATOM 1407 N GLY B 9 2.553 -6.028 -8.243 1.00 72.24 N ATOM 1408 CA GLY B 9 3.403 -5.798 -9.425 1.00 63.34 C ATOM 1409 C GLY B 9 2.604 -5.624 -10.731 1.00 42.14 C ATOM 1410 O GLY B 9 2.938 -4.779 -11.571 1.00 53.34 O ATOM 0 H GLY B 9 2.564 -6.992 -7.909 1.00 72.24 H new ATOM 0 HA2 GLY B 9 4.010 -4.908 -9.259 1.00 63.34 H new ATOM 0 HA3 GLY B 9 4.090 -6.637 -9.538 1.00 63.34 H new ATOM 1414 N ALA B 10 1.545 -6.439 -10.892 1.00 31.31 N ATOM 1415 CA ALA B 10 0.634 -6.384 -12.066 1.00 32.11 C ATOM 1416 C ALA B 10 -0.177 -5.060 -12.105 1.00 13.13 C ATOM 1417 O ALA B 10 -0.438 -4.499 -13.179 1.00 23.43 O ATOM 1418 CB ALA B 10 -0.317 -7.589 -12.040 1.00 2.41 C ATOM 0 H ALA B 10 1.291 -7.158 -10.214 1.00 31.31 H new ATOM 0 HA ALA B 10 1.245 -6.419 -12.968 1.00 32.11 H new ATOM 0 HB1 ALA B 10 -0.983 -7.545 -12.902 1.00 2.41 H new ATOM 0 HB2 ALA B 10 0.263 -8.511 -12.076 1.00 2.41 H new ATOM 0 HB3 ALA B 10 -0.907 -7.567 -11.124 1.00 2.41 H new ATOM 1424 N LEU B 11 -0.569 -4.585 -10.913 1.00 30.41 N ATOM 1425 CA LEU B 11 -1.256 -3.292 -10.727 1.00 42.20 C ATOM 1426 C LEU B 11 -0.284 -2.123 -10.985 1.00 33.34 C ATOM 1427 O LEU B 11 -0.661 -1.127 -11.594 1.00 50.44 O ATOM 1428 CB LEU B 11 -1.836 -3.212 -9.291 1.00 25.20 C ATOM 1429 CG LEU B 11 -2.903 -4.298 -8.935 1.00 54.53 C ATOM 1430 CD1 LEU B 11 -3.209 -4.304 -7.427 1.00 20.31 C ATOM 1431 CD2 LEU B 11 -4.190 -4.122 -9.774 1.00 21.23 C ATOM 0 H LEU B 11 -0.418 -5.091 -10.040 1.00 30.41 H new ATOM 0 HA LEU B 11 -2.074 -3.217 -11.444 1.00 42.20 H new ATOM 0 HB2 LEU B 11 -1.013 -3.290 -8.581 1.00 25.20 H new ATOM 0 HB3 LEU B 11 -2.284 -2.228 -9.153 1.00 25.20 H new ATOM 0 HG LEU B 11 -2.481 -5.271 -9.189 1.00 54.53 H new ATOM 0 HD11 LEU B 11 -3.954 -5.069 -7.210 1.00 20.31 H new ATOM 0 HD12 LEU B 11 -2.296 -4.519 -6.871 1.00 20.31 H new ATOM 0 HD13 LEU B 11 -3.594 -3.328 -7.130 1.00 20.31 H new ATOM 0 HD21 LEU B 11 -4.910 -4.893 -9.501 1.00 21.23 H new ATOM 0 HD22 LEU B 11 -4.619 -3.139 -9.580 1.00 21.23 H new ATOM 0 HD23 LEU B 11 -3.949 -4.209 -10.833 1.00 21.23 H new ATOM 1443 N ALA B 12 0.981 -2.289 -10.544 1.00 43.50 N ATOM 1444 CA ALA B 12 2.044 -1.270 -10.706 1.00 64.22 C ATOM 1445 C ALA B 12 2.271 -0.875 -12.183 1.00 11.41 C ATOM 1446 O ALA B 12 2.440 0.312 -12.501 1.00 41.33 O ATOM 1447 CB ALA B 12 3.363 -1.769 -10.093 1.00 53.54 C ATOM 0 H ALA B 12 1.296 -3.133 -10.065 1.00 43.50 H new ATOM 0 HA ALA B 12 1.706 -0.378 -10.179 1.00 64.22 H new ATOM 0 HB1 ALA B 12 4.134 -1.009 -10.220 1.00 53.54 H new ATOM 0 HB2 ALA B 12 3.219 -1.966 -9.031 1.00 53.54 H new ATOM 0 HB3 ALA B 12 3.672 -2.687 -10.593 1.00 53.54 H new ATOM 1453 N GLY B 13 2.278 -1.892 -13.065 1.00 23.43 N ATOM 1454 CA GLY B 13 2.458 -1.677 -14.504 1.00 22.32 C ATOM 1455 C GLY B 13 1.362 -0.813 -15.139 1.00 71.32 C ATOM 1456 O GLY B 13 1.651 0.250 -15.691 1.00 52.54 O ATOM 0 H GLY B 13 2.161 -2.870 -12.801 1.00 23.43 H new ATOM 0 HA2 GLY B 13 3.425 -1.204 -14.674 1.00 22.32 H new ATOM 0 HA3 GLY B 13 2.483 -2.644 -15.007 1.00 22.32 H new ATOM 1460 N GLN B 14 0.095 -1.233 -14.974 1.00 33.11 N ATOM 1461 CA GLN B 14 -1.063 -0.562 -15.617 1.00 73.50 C ATOM 1462 C GLN B 14 -1.347 0.848 -15.023 1.00 54.24 C ATOM 1463 O GLN B 14 -1.722 1.764 -15.767 1.00 24.21 O ATOM 1464 CB GLN B 14 -2.329 -1.464 -15.542 1.00 61.22 C ATOM 1465 CG GLN B 14 -2.736 -1.896 -14.117 1.00 73.12 C ATOM 1466 CD GLN B 14 -3.958 -2.818 -14.080 1.00 62.53 C ATOM 1467 OE1 GLN B 14 -4.222 -3.574 -15.014 1.00 52.24 O ATOM 1468 NE2 GLN B 14 -4.687 -2.799 -12.983 1.00 5.23 N ATOM 0 H GLN B 14 -0.160 -2.037 -14.400 1.00 33.11 H new ATOM 0 HA GLN B 14 -0.801 -0.410 -16.664 1.00 73.50 H new ATOM 0 HB2 GLN B 14 -3.164 -0.931 -15.997 1.00 61.22 H new ATOM 0 HB3 GLN B 14 -2.156 -2.358 -16.142 1.00 61.22 H new ATOM 0 HG2 GLN B 14 -1.894 -2.404 -13.646 1.00 73.12 H new ATOM 0 HG3 GLN B 14 -2.945 -1.006 -13.523 1.00 73.12 H new ATOM 0 HE21 GLN B 14 -4.447 -2.163 -12.222 1.00 5.23 H new ATOM 0 HE22 GLN B 14 -5.491 -3.420 -12.894 1.00 5.23 H new ATOM 1477 N ILE B 15 -1.162 1.008 -13.687 1.00 64.33 N ATOM 1478 CA ILE B 15 -1.372 2.306 -12.984 1.00 33.41 C ATOM 1479 C ILE B 15 -0.371 3.377 -13.478 1.00 72.01 C ATOM 1480 O ILE B 15 -0.770 4.499 -13.799 1.00 11.10 O ATOM 1481 CB ILE B 15 -1.298 2.135 -11.408 1.00 53.25 C ATOM 1482 CG1 ILE B 15 -2.533 1.316 -10.889 1.00 22.55 C ATOM 1483 CG2 ILE B 15 -1.192 3.501 -10.673 1.00 1.44 C ATOM 1484 CD1 ILE B 15 -2.531 1.012 -9.393 1.00 15.14 C ATOM 0 H ILE B 15 -0.866 0.251 -13.070 1.00 64.33 H new ATOM 0 HA ILE B 15 -2.377 2.650 -13.228 1.00 33.41 H new ATOM 0 HB ILE B 15 -0.387 1.581 -11.182 1.00 53.25 H new ATOM 0 HG12 ILE B 15 -3.442 1.868 -11.130 1.00 22.55 H new ATOM 0 HG13 ILE B 15 -2.579 0.374 -11.435 1.00 22.55 H new ATOM 0 HG21 ILE B 15 -1.144 3.333 -9.597 1.00 1.44 H new ATOM 0 HG22 ILE B 15 -0.291 4.021 -10.999 1.00 1.44 H new ATOM 0 HG23 ILE B 15 -2.066 4.109 -10.906 1.00 1.44 H new ATOM 0 HD11 ILE B 15 -3.425 0.444 -9.136 1.00 15.14 H new ATOM 0 HD12 ILE B 15 -1.645 0.429 -9.141 1.00 15.14 H new ATOM 0 HD13 ILE B 15 -2.522 1.946 -8.832 1.00 15.14 H new ATOM 1496 N TRP B 16 0.916 3.000 -13.574 1.00 20.32 N ATOM 1497 CA TRP B 16 1.982 3.903 -14.064 1.00 41.01 C ATOM 1498 C TRP B 16 1.705 4.361 -15.527 1.00 75.03 C ATOM 1499 O TRP B 16 1.814 5.553 -15.850 1.00 4.35 O ATOM 1500 CB TRP B 16 3.361 3.197 -13.964 1.00 34.35 C ATOM 1501 CG TRP B 16 4.529 4.099 -14.290 1.00 0.41 C ATOM 1502 CD1 TRP B 16 5.228 4.875 -13.412 1.00 74.40 C ATOM 1503 CD2 TRP B 16 5.116 4.336 -15.583 1.00 64.34 C ATOM 1504 NE1 TRP B 16 6.200 5.583 -14.075 1.00 13.00 N ATOM 1505 CE2 TRP B 16 6.150 5.271 -15.405 1.00 33.55 C ATOM 1506 CE3 TRP B 16 4.857 3.853 -16.872 1.00 32.54 C ATOM 1507 CZ2 TRP B 16 6.923 5.736 -16.464 1.00 5.25 C ATOM 1508 CZ3 TRP B 16 5.623 4.312 -17.922 1.00 52.40 C ATOM 1509 CH2 TRP B 16 6.648 5.245 -17.712 1.00 52.24 C ATOM 0 H TRP B 16 1.248 2.070 -13.318 1.00 20.32 H new ATOM 0 HA TRP B 16 1.993 4.794 -13.436 1.00 41.01 H new ATOM 0 HB2 TRP B 16 3.486 2.805 -12.955 1.00 34.35 H new ATOM 0 HB3 TRP B 16 3.372 2.343 -14.641 1.00 34.35 H new ATOM 0 HD1 TRP B 16 5.043 4.925 -12.349 1.00 74.40 H new ATOM 0 HE1 TRP B 16 6.854 6.237 -13.644 1.00 13.00 H new ATOM 0 HE3 TRP B 16 4.070 3.133 -17.040 1.00 32.54 H new ATOM 0 HZ2 TRP B 16 7.711 6.458 -16.307 1.00 5.25 H new ATOM 0 HZ3 TRP B 16 5.431 3.948 -18.920 1.00 52.40 H new ATOM 0 HH2 TRP B 16 7.234 5.584 -18.554 1.00 52.24 H new ATOM 1520 N GLU B 17 1.343 3.388 -16.393 1.00 33.33 N ATOM 1521 CA GLU B 17 1.042 3.632 -17.832 1.00 65.11 C ATOM 1522 C GLU B 17 -0.196 4.550 -18.031 1.00 23.00 C ATOM 1523 O GLU B 17 -0.293 5.259 -19.041 1.00 13.44 O ATOM 1524 CB GLU B 17 0.836 2.281 -18.574 1.00 43.32 C ATOM 1525 CG GLU B 17 2.076 1.369 -18.614 1.00 64.51 C ATOM 1526 CD GLU B 17 1.802 0.021 -19.306 1.00 71.43 C ATOM 1527 OE1 GLU B 17 1.351 -0.932 -18.635 1.00 51.44 O ATOM 1528 OE2 GLU B 17 2.017 -0.086 -20.534 1.00 54.13 O ATOM 0 H GLU B 17 1.250 2.410 -16.119 1.00 33.33 H new ATOM 0 HA GLU B 17 1.900 4.153 -18.257 1.00 65.11 H new ATOM 0 HB2 GLU B 17 0.020 1.740 -18.094 1.00 43.32 H new ATOM 0 HB3 GLU B 17 0.522 2.489 -19.597 1.00 43.32 H new ATOM 0 HG2 GLU B 17 2.883 1.883 -19.136 1.00 64.51 H new ATOM 0 HG3 GLU B 17 2.420 1.186 -17.596 1.00 64.51 H new ATOM 1535 N ALA B 18 -1.126 4.535 -17.054 1.00 44.54 N ATOM 1536 CA ALA B 18 -2.303 5.437 -17.044 1.00 55.42 C ATOM 1537 C ALA B 18 -1.890 6.923 -16.866 1.00 43.42 C ATOM 1538 O ALA B 18 -2.532 7.827 -17.413 1.00 35.20 O ATOM 1539 CB ALA B 18 -3.291 5.016 -15.943 1.00 54.54 C ATOM 0 H ALA B 18 -1.086 3.903 -16.254 1.00 44.54 H new ATOM 0 HA ALA B 18 -2.794 5.349 -18.013 1.00 55.42 H new ATOM 0 HB1 ALA B 18 -4.150 5.688 -15.948 1.00 54.54 H new ATOM 0 HB2 ALA B 18 -3.627 3.996 -16.127 1.00 54.54 H new ATOM 0 HB3 ALA B 18 -2.797 5.066 -14.973 1.00 54.54 H new ATOM 1545 N LEU B 19 -0.818 7.156 -16.091 1.00 11.21 N ATOM 1546 CA LEU B 19 -0.262 8.512 -15.844 1.00 51.44 C ATOM 1547 C LEU B 19 0.810 8.898 -16.899 1.00 62.03 C ATOM 1548 O LEU B 19 1.177 10.074 -16.998 1.00 73.43 O ATOM 1549 CB LEU B 19 0.353 8.600 -14.415 1.00 53.55 C ATOM 1550 CG LEU B 19 -0.641 8.695 -13.212 1.00 45.22 C ATOM 1551 CD1 LEU B 19 -1.558 7.462 -13.101 1.00 32.25 C ATOM 1552 CD2 LEU B 19 0.127 8.933 -11.894 1.00 65.55 C ATOM 0 H LEU B 19 -0.306 6.414 -15.614 1.00 11.21 H new ATOM 0 HA LEU B 19 -1.088 9.218 -15.927 1.00 51.44 H new ATOM 0 HB2 LEU B 19 0.983 7.723 -14.264 1.00 53.55 H new ATOM 0 HB3 LEU B 19 1.007 9.471 -14.382 1.00 53.55 H new ATOM 0 HG LEU B 19 -1.291 9.549 -13.401 1.00 45.22 H new ATOM 0 HD11 LEU B 19 -2.227 7.582 -12.249 1.00 32.25 H new ATOM 0 HD12 LEU B 19 -2.146 7.363 -14.013 1.00 32.25 H new ATOM 0 HD13 LEU B 19 -0.950 6.568 -12.962 1.00 32.25 H new ATOM 0 HD21 LEU B 19 -0.580 8.997 -11.067 1.00 65.55 H new ATOM 0 HD22 LEU B 19 0.816 8.106 -11.720 1.00 65.55 H new ATOM 0 HD23 LEU B 19 0.689 9.865 -11.963 1.00 65.55 H new ATOM 1564 N ASN B 20 1.325 7.905 -17.658 1.00 63.43 N ATOM 1565 CA ASN B 20 2.375 8.144 -18.678 1.00 44.31 C ATOM 1566 C ASN B 20 1.835 9.046 -19.819 1.00 64.10 C ATOM 1567 O ASN B 20 0.872 8.683 -20.500 1.00 24.11 O ATOM 1568 CB ASN B 20 2.912 6.795 -19.230 1.00 45.52 C ATOM 1569 CG ASN B 20 4.170 6.940 -20.096 1.00 71.24 C ATOM 1570 OD1 ASN B 20 5.002 7.809 -19.862 1.00 64.31 O ATOM 1571 ND2 ASN B 20 4.315 6.097 -21.103 1.00 42.20 N ATOM 0 H ASN B 20 1.032 6.931 -17.585 1.00 63.43 H new ATOM 0 HA ASN B 20 3.206 8.668 -18.206 1.00 44.31 H new ATOM 0 HB2 ASN B 20 3.132 6.132 -18.393 1.00 45.52 H new ATOM 0 HB3 ASN B 20 2.130 6.316 -19.819 1.00 45.52 H new ATOM 0 HD21 ASN B 20 5.134 6.160 -21.707 1.00 42.20 H new ATOM 0 HD22 ASN B 20 3.608 5.383 -21.276 1.00 42.20 H new ATOM 1578 N GLY B 21 2.468 10.222 -20.006 1.00 73.51 N ATOM 1579 CA GLY B 21 1.981 11.250 -20.948 1.00 62.13 C ATOM 1580 C GLY B 21 1.341 12.465 -20.257 1.00 74.21 C ATOM 1581 O GLY B 21 1.512 13.604 -20.712 1.00 34.15 O ATOM 0 H GLY B 21 3.322 10.484 -19.514 1.00 73.51 H new ATOM 0 HA2 GLY B 21 2.814 11.590 -21.564 1.00 62.13 H new ATOM 0 HA3 GLY B 21 1.251 10.798 -21.620 1.00 62.13 H new ATOM 1585 N THR B 22 0.591 12.229 -19.159 1.00 55.34 N ATOM 1586 CA THR B 22 -0.086 13.315 -18.390 1.00 25.02 C ATOM 1587 C THR B 22 0.864 13.962 -17.347 1.00 44.42 C ATOM 1588 O THR B 22 1.967 13.466 -17.093 1.00 44.24 O ATOM 1589 CB THR B 22 -1.371 12.796 -17.637 1.00 54.40 C ATOM 1590 OG1 THR B 22 -1.010 11.919 -16.550 1.00 21.14 O ATOM 1591 CG2 THR B 22 -2.338 12.057 -18.578 1.00 31.55 C ATOM 0 H THR B 22 0.434 11.296 -18.778 1.00 55.34 H new ATOM 0 HA THR B 22 -0.378 14.061 -19.129 1.00 25.02 H new ATOM 0 HB THR B 22 -1.878 13.678 -17.247 1.00 54.40 H new ATOM 0 HG1 THR B 22 -0.274 11.336 -16.831 1.00 21.14 H new ATOM 0 HG21 THR B 22 -3.207 11.719 -18.014 1.00 31.55 H new ATOM 0 HG22 THR B 22 -2.660 12.731 -19.371 1.00 31.55 H new ATOM 0 HG23 THR B 22 -1.833 11.197 -19.016 1.00 31.55 H new ATOM 1599 N GLU B 23 0.398 15.069 -16.731 1.00 14.11 N ATOM 1600 CA GLU B 23 1.106 15.746 -15.613 1.00 23.34 C ATOM 1601 C GLU B 23 0.707 15.136 -14.237 1.00 64.44 C ATOM 1602 O GLU B 23 1.123 15.639 -13.185 1.00 44.44 O ATOM 1603 CB GLU B 23 0.790 17.269 -15.620 1.00 43.51 C ATOM 1604 CG GLU B 23 1.188 18.019 -16.907 1.00 12.43 C ATOM 1605 CD GLU B 23 0.934 19.537 -16.810 1.00 13.10 C ATOM 1606 OE1 GLU B 23 -0.237 19.962 -16.916 1.00 42.24 O ATOM 1607 OE2 GLU B 23 1.897 20.309 -16.608 1.00 4.45 O ATOM 0 H GLU B 23 -0.478 15.522 -16.991 1.00 14.11 H new ATOM 0 HA GLU B 23 2.176 15.595 -15.758 1.00 23.34 H new ATOM 0 HB2 GLU B 23 -0.280 17.402 -15.458 1.00 43.51 H new ATOM 0 HB3 GLU B 23 1.301 17.733 -14.776 1.00 43.51 H new ATOM 0 HG2 GLU B 23 2.244 17.843 -17.114 1.00 12.43 H new ATOM 0 HG3 GLU B 23 0.626 17.613 -17.748 1.00 12.43 H new ATOM 1614 N GLY B 24 -0.100 14.050 -14.263 1.00 43.22 N ATOM 1615 CA GLY B 24 -0.584 13.379 -13.047 1.00 1.04 C ATOM 1616 C GLY B 24 -2.109 13.273 -12.969 1.00 34.43 C ATOM 1617 O GLY B 24 -2.830 14.096 -13.540 1.00 64.12 O ATOM 0 H GLY B 24 -0.430 13.620 -15.127 1.00 43.22 H new ATOM 0 HA2 GLY B 24 -0.156 12.378 -13.000 1.00 1.04 H new ATOM 0 HA3 GLY B 24 -0.221 13.922 -12.174 1.00 1.04 H new ATOM 1621 N LEU B 25 -2.599 12.266 -12.220 1.00 44.12 N ATOM 1622 CA LEU B 25 -4.050 11.980 -12.065 1.00 2.31 C ATOM 1623 C LEU B 25 -4.403 11.736 -10.575 1.00 64.10 C ATOM 1624 O LEU B 25 -3.537 11.361 -9.772 1.00 2.20 O ATOM 1625 CB LEU B 25 -4.459 10.742 -12.921 1.00 74.34 C ATOM 1626 CG LEU B 25 -4.291 10.866 -14.471 1.00 72.44 C ATOM 1627 CD1 LEU B 25 -4.613 9.528 -15.179 1.00 64.43 C ATOM 1628 CD2 LEU B 25 -5.154 12.015 -15.042 1.00 5.21 C ATOM 0 H LEU B 25 -2.002 11.622 -11.701 1.00 44.12 H new ATOM 0 HA LEU B 25 -4.606 12.849 -12.417 1.00 2.31 H new ATOM 0 HB2 LEU B 25 -3.872 9.888 -12.584 1.00 74.34 H new ATOM 0 HB3 LEU B 25 -5.504 10.514 -12.710 1.00 74.34 H new ATOM 0 HG LEU B 25 -3.246 11.106 -14.668 1.00 72.44 H new ATOM 0 HD11 LEU B 25 -4.487 9.646 -16.255 1.00 64.43 H new ATOM 0 HD12 LEU B 25 -3.937 8.753 -14.818 1.00 64.43 H new ATOM 0 HD13 LEU B 25 -5.642 9.241 -14.963 1.00 64.43 H new ATOM 0 HD21 LEU B 25 -5.014 12.074 -16.121 1.00 5.21 H new ATOM 0 HD22 LEU B 25 -6.205 11.825 -14.822 1.00 5.21 H new ATOM 0 HD23 LEU B 25 -4.853 12.958 -14.585 1.00 5.21 H new ATOM 1640 N THR B 26 -5.684 11.955 -10.214 1.00 31.45 N ATOM 1641 CA THR B 26 -6.212 11.616 -8.865 1.00 1.45 C ATOM 1642 C THR B 26 -6.658 10.140 -8.821 1.00 0.23 C ATOM 1643 O THR B 26 -6.949 9.550 -9.863 1.00 62.41 O ATOM 1644 CB THR B 26 -7.435 12.506 -8.461 1.00 1.11 C ATOM 1645 OG1 THR B 26 -8.542 12.262 -9.351 1.00 64.40 O ATOM 1646 CG2 THR B 26 -7.090 14.008 -8.459 1.00 43.35 C ATOM 0 H THR B 26 -6.379 12.367 -10.837 1.00 31.45 H new ATOM 0 HA THR B 26 -5.400 11.798 -8.161 1.00 1.45 H new ATOM 0 HB THR B 26 -7.711 12.230 -7.443 1.00 1.11 H new ATOM 0 HG1 THR B 26 -9.302 12.822 -9.089 1.00 64.40 H new ATOM 0 HG21 THR B 26 -7.970 14.583 -8.173 1.00 43.35 H new ATOM 0 HG22 THR B 26 -6.286 14.196 -7.747 1.00 43.35 H new ATOM 0 HG23 THR B 26 -6.769 14.309 -9.456 1.00 43.35 H new ATOM 1654 N GLN B 27 -6.751 9.574 -7.599 1.00 70.53 N ATOM 1655 CA GLN B 27 -7.113 8.148 -7.369 1.00 23.53 C ATOM 1656 C GLN B 27 -8.448 7.748 -8.067 1.00 62.43 C ATOM 1657 O GLN B 27 -8.581 6.628 -8.563 1.00 71.30 O ATOM 1658 CB GLN B 27 -7.176 7.892 -5.840 1.00 20.11 C ATOM 1659 CG GLN B 27 -7.519 6.447 -5.423 1.00 12.01 C ATOM 1660 CD GLN B 27 -7.391 6.205 -3.916 1.00 24.43 C ATOM 1661 OE1 GLN B 27 -6.595 6.839 -3.232 1.00 74.21 O ATOM 1662 NE2 GLN B 27 -8.156 5.277 -3.397 1.00 72.41 N ATOM 0 H GLN B 27 -6.577 10.091 -6.737 1.00 70.53 H new ATOM 0 HA GLN B 27 -6.345 7.519 -7.819 1.00 23.53 H new ATOM 0 HB2 GLN B 27 -6.213 8.159 -5.404 1.00 20.11 H new ATOM 0 HB3 GLN B 27 -7.918 8.563 -5.407 1.00 20.11 H new ATOM 0 HG2 GLN B 27 -8.538 6.218 -5.735 1.00 12.01 H new ATOM 0 HG3 GLN B 27 -6.861 5.758 -5.952 1.00 12.01 H new ATOM 0 HE21 GLN B 27 -8.810 4.765 -3.989 1.00 72.41 H new ATOM 0 HE22 GLN B 27 -8.098 5.067 -2.401 1.00 72.41 H new ATOM 1671 N LYS B 28 -9.419 8.683 -8.094 1.00 54.12 N ATOM 1672 CA LYS B 28 -10.694 8.537 -8.854 1.00 34.01 C ATOM 1673 C LYS B 28 -10.453 8.285 -10.375 1.00 21.52 C ATOM 1674 O LYS B 28 -11.001 7.343 -10.962 1.00 20.51 O ATOM 1675 CB LYS B 28 -11.557 9.815 -8.653 1.00 24.23 C ATOM 1676 CG LYS B 28 -12.183 9.969 -7.244 1.00 34.11 C ATOM 1677 CD LYS B 28 -13.295 8.923 -6.985 1.00 40.41 C ATOM 1678 CE LYS B 28 -13.955 9.067 -5.601 1.00 52.14 C ATOM 1679 NZ LYS B 28 -13.013 8.762 -4.491 1.00 64.43 N ATOM 0 H LYS B 28 -9.348 9.567 -7.590 1.00 54.12 H new ATOM 0 HA LYS B 28 -11.218 7.663 -8.467 1.00 34.01 H new ATOM 0 HB2 LYS B 28 -10.938 10.689 -8.856 1.00 24.23 H new ATOM 0 HB3 LYS B 28 -12.358 9.814 -9.392 1.00 24.23 H new ATOM 0 HG2 LYS B 28 -11.404 9.865 -6.488 1.00 34.11 H new ATOM 0 HG3 LYS B 28 -12.597 10.972 -7.139 1.00 34.11 H new ATOM 0 HD2 LYS B 28 -14.060 9.017 -7.756 1.00 40.41 H new ATOM 0 HD3 LYS B 28 -12.872 7.923 -7.076 1.00 40.41 H new ATOM 0 HE2 LYS B 28 -14.333 10.083 -5.485 1.00 52.14 H new ATOM 0 HE3 LYS B 28 -14.814 8.399 -5.539 1.00 52.14 H new ATOM 0 HZ1 LYS B 28 -13.485 8.153 -3.793 1.00 64.43 H new ATOM 0 HZ2 LYS B 28 -12.178 8.272 -4.869 1.00 64.43 H new ATOM 0 HZ3 LYS B 28 -12.717 9.648 -4.034 1.00 64.43 H new ATOM 1693 N GLN B 29 -9.619 9.145 -10.988 1.00 23.15 N ATOM 1694 CA GLN B 29 -9.293 9.088 -12.438 1.00 1.04 C ATOM 1695 C GLN B 29 -8.472 7.821 -12.795 1.00 75.02 C ATOM 1696 O GLN B 29 -8.684 7.209 -13.846 1.00 14.33 O ATOM 1697 CB GLN B 29 -8.535 10.381 -12.852 1.00 32.22 C ATOM 1698 CG GLN B 29 -9.380 11.670 -12.747 1.00 52.13 C ATOM 1699 CD GLN B 29 -8.581 12.943 -13.039 1.00 60.14 C ATOM 1700 OE1 GLN B 29 -8.464 13.373 -14.182 1.00 10.45 O ATOM 1701 NE2 GLN B 29 -8.050 13.569 -12.008 1.00 33.12 N ATOM 0 H GLN B 29 -9.147 9.904 -10.496 1.00 23.15 H new ATOM 0 HA GLN B 29 -10.226 9.026 -12.998 1.00 1.04 H new ATOM 0 HB2 GLN B 29 -7.650 10.487 -12.224 1.00 32.22 H new ATOM 0 HB3 GLN B 29 -8.186 10.271 -13.879 1.00 32.22 H new ATOM 0 HG2 GLN B 29 -10.216 11.606 -13.444 1.00 52.13 H new ATOM 0 HG3 GLN B 29 -9.804 11.737 -11.745 1.00 52.13 H new ATOM 0 HE21 GLN B 29 -8.162 13.190 -11.068 1.00 33.12 H new ATOM 0 HE22 GLN B 29 -7.527 14.433 -12.150 1.00 33.12 H new ATOM 1710 N ILE B 30 -7.561 7.435 -11.892 1.00 35.12 N ATOM 1711 CA ILE B 30 -6.654 6.276 -12.084 1.00 61.51 C ATOM 1712 C ILE B 30 -7.421 4.938 -11.977 1.00 12.23 C ATOM 1713 O ILE B 30 -7.239 4.047 -12.808 1.00 51.24 O ATOM 1714 CB ILE B 30 -5.491 6.315 -11.025 1.00 44.34 C ATOM 1715 CG1 ILE B 30 -4.733 7.673 -11.122 1.00 2.22 C ATOM 1716 CG2 ILE B 30 -4.518 5.118 -11.193 1.00 62.42 C ATOM 1717 CD1 ILE B 30 -3.724 7.937 -10.022 1.00 21.23 C ATOM 0 H ILE B 30 -7.425 7.914 -11.002 1.00 35.12 H new ATOM 0 HA ILE B 30 -6.231 6.345 -13.086 1.00 61.51 H new ATOM 0 HB ILE B 30 -5.932 6.226 -10.032 1.00 44.34 H new ATOM 0 HG12 ILE B 30 -4.217 7.714 -12.081 1.00 2.22 H new ATOM 0 HG13 ILE B 30 -5.466 8.479 -11.120 1.00 2.22 H new ATOM 0 HG21 ILE B 30 -3.730 5.182 -10.443 1.00 62.42 H new ATOM 0 HG22 ILE B 30 -5.065 4.184 -11.066 1.00 62.42 H new ATOM 0 HG23 ILE B 30 -4.075 5.146 -12.188 1.00 62.42 H new ATOM 0 HD11 ILE B 30 -3.254 8.907 -10.184 1.00 21.23 H new ATOM 0 HD12 ILE B 30 -4.230 7.936 -9.056 1.00 21.23 H new ATOM 0 HD13 ILE B 30 -2.961 7.158 -10.033 1.00 21.23 H new ATOM 1729 N LYS B 31 -8.285 4.830 -10.948 1.00 35.30 N ATOM 1730 CA LYS B 31 -9.111 3.627 -10.695 1.00 45.42 C ATOM 1731 C LYS B 31 -10.040 3.308 -11.893 1.00 44.01 C ATOM 1732 O LYS B 31 -10.156 2.152 -12.304 1.00 63.14 O ATOM 1733 CB LYS B 31 -9.933 3.814 -9.394 1.00 32.34 C ATOM 1734 CG LYS B 31 -10.855 2.627 -9.047 1.00 34.11 C ATOM 1735 CD LYS B 31 -11.559 2.792 -7.688 1.00 5.32 C ATOM 1736 CE LYS B 31 -12.561 1.662 -7.408 1.00 5.23 C ATOM 1737 NZ LYS B 31 -13.675 1.635 -8.401 1.00 14.44 N ATOM 0 H LYS B 31 -8.432 5.574 -10.266 1.00 35.30 H new ATOM 0 HA LYS B 31 -8.441 2.776 -10.572 1.00 45.42 H new ATOM 0 HB2 LYS B 31 -9.245 3.979 -8.565 1.00 32.34 H new ATOM 0 HB3 LYS B 31 -10.540 4.714 -9.488 1.00 32.34 H new ATOM 0 HG2 LYS B 31 -11.607 2.517 -9.829 1.00 34.11 H new ATOM 0 HG3 LYS B 31 -10.268 1.709 -9.037 1.00 34.11 H new ATOM 0 HD2 LYS B 31 -10.812 2.816 -6.895 1.00 5.32 H new ATOM 0 HD3 LYS B 31 -12.079 3.750 -7.665 1.00 5.32 H new ATOM 0 HE2 LYS B 31 -12.040 0.705 -7.424 1.00 5.23 H new ATOM 0 HE3 LYS B 31 -12.973 1.784 -6.406 1.00 5.23 H new ATOM 0 HZ1 LYS B 31 -14.426 0.999 -8.063 1.00 14.44 H new ATOM 0 HZ2 LYS B 31 -14.060 2.594 -8.517 1.00 14.44 H new ATOM 0 HZ3 LYS B 31 -13.317 1.293 -9.315 1.00 14.44 H new ATOM 1751 N LYS B 32 -10.683 4.351 -12.443 1.00 51.13 N ATOM 1752 CA LYS B 32 -11.558 4.220 -13.630 1.00 12.20 C ATOM 1753 C LYS B 32 -10.745 3.846 -14.900 1.00 12.33 C ATOM 1754 O LYS B 32 -11.158 2.969 -15.668 1.00 1.53 O ATOM 1755 CB LYS B 32 -12.358 5.533 -13.854 1.00 4.43 C ATOM 1756 CG LYS B 32 -13.322 5.520 -15.071 1.00 13.24 C ATOM 1757 CD LYS B 32 -14.376 4.382 -15.001 1.00 22.22 C ATOM 1758 CE LYS B 32 -15.291 4.339 -16.235 1.00 3.02 C ATOM 1759 NZ LYS B 32 -16.258 3.215 -16.167 1.00 22.44 N ATOM 0 H LYS B 32 -10.615 5.303 -12.084 1.00 51.13 H new ATOM 0 HA LYS B 32 -12.261 3.408 -13.443 1.00 12.20 H new ATOM 0 HB2 LYS B 32 -12.936 5.745 -12.955 1.00 4.43 H new ATOM 0 HB3 LYS B 32 -11.651 6.353 -13.979 1.00 4.43 H new ATOM 0 HG2 LYS B 32 -13.836 6.480 -15.130 1.00 13.24 H new ATOM 0 HG3 LYS B 32 -12.740 5.413 -15.987 1.00 13.24 H new ATOM 0 HD2 LYS B 32 -13.864 3.425 -14.901 1.00 22.22 H new ATOM 0 HD3 LYS B 32 -14.986 4.513 -14.107 1.00 22.22 H new ATOM 0 HE2 LYS B 32 -15.834 5.281 -16.318 1.00 3.02 H new ATOM 0 HE3 LYS B 32 -14.683 4.241 -17.135 1.00 3.02 H new ATOM 0 HZ1 LYS B 32 -16.857 3.220 -17.017 1.00 22.44 H new ATOM 0 HZ2 LYS B 32 -15.740 2.315 -16.114 1.00 22.44 H new ATOM 0 HZ3 LYS B 32 -16.855 3.321 -15.322 1.00 22.44 H new ATOM 1773 N ALA B 33 -9.588 4.512 -15.100 1.00 24.34 N ATOM 1774 CA ALA B 33 -8.728 4.304 -16.295 1.00 1.42 C ATOM 1775 C ALA B 33 -8.186 2.853 -16.381 1.00 64.15 C ATOM 1776 O ALA B 33 -8.308 2.191 -17.415 1.00 35.21 O ATOM 1777 CB ALA B 33 -7.566 5.312 -16.294 1.00 14.21 C ATOM 0 H ALA B 33 -9.222 5.204 -14.447 1.00 24.34 H new ATOM 0 HA ALA B 33 -9.348 4.469 -17.176 1.00 1.42 H new ATOM 0 HB1 ALA B 33 -6.943 5.150 -17.174 1.00 14.21 H new ATOM 0 HB2 ALA B 33 -7.964 6.326 -16.313 1.00 14.21 H new ATOM 0 HB3 ALA B 33 -6.966 5.175 -15.394 1.00 14.21 H new ATOM 1783 N THR B 34 -7.617 2.370 -15.264 1.00 34.00 N ATOM 1784 CA THR B 34 -7.006 1.017 -15.168 1.00 14.40 C ATOM 1785 C THR B 34 -8.047 -0.074 -14.825 1.00 22.31 C ATOM 1786 O THR B 34 -7.723 -1.271 -14.868 1.00 0.22 O ATOM 1787 CB THR B 34 -5.870 0.996 -14.099 1.00 54.50 C ATOM 1788 OG1 THR B 34 -6.405 1.301 -12.803 1.00 12.40 O ATOM 1789 CG2 THR B 34 -4.766 2.004 -14.430 1.00 60.33 C ATOM 0 H THR B 34 -7.563 2.902 -14.395 1.00 34.00 H new ATOM 0 HA THR B 34 -6.591 0.795 -16.151 1.00 14.40 H new ATOM 0 HB THR B 34 -5.440 -0.005 -14.101 1.00 54.50 H new ATOM 0 HG1 THR B 34 -6.651 2.249 -12.766 1.00 12.40 H new ATOM 0 HG21 THR B 34 -3.992 1.961 -13.663 1.00 60.33 H new ATOM 0 HG22 THR B 34 -4.330 1.761 -15.399 1.00 60.33 H new ATOM 0 HG23 THR B 34 -5.188 3.008 -14.463 1.00 60.33 H new ATOM 1797 N LYS B 35 -9.281 0.364 -14.470 1.00 44.55 N ATOM 1798 CA LYS B 35 -10.444 -0.521 -14.216 1.00 63.43 C ATOM 1799 C LYS B 35 -10.216 -1.442 -12.983 1.00 73.12 C ATOM 1800 O LYS B 35 -10.232 -2.680 -13.081 1.00 52.11 O ATOM 1801 CB LYS B 35 -10.812 -1.319 -15.502 1.00 74.13 C ATOM 1802 CG LYS B 35 -11.258 -0.445 -16.703 1.00 42.15 C ATOM 1803 CD LYS B 35 -11.358 -1.219 -18.048 1.00 42.22 C ATOM 1804 CE LYS B 35 -12.359 -2.405 -18.037 1.00 61.43 C ATOM 1805 NZ LYS B 35 -11.840 -3.613 -17.328 1.00 44.23 N ATOM 0 H LYS B 35 -9.498 1.353 -14.351 1.00 44.55 H new ATOM 0 HA LYS B 35 -11.300 0.105 -13.964 1.00 63.43 H new ATOM 0 HB2 LYS B 35 -9.949 -1.913 -15.803 1.00 74.13 H new ATOM 0 HB3 LYS B 35 -11.613 -2.018 -15.262 1.00 74.13 H new ATOM 0 HG2 LYS B 35 -12.229 -0.004 -16.477 1.00 42.15 H new ATOM 0 HG3 LYS B 35 -10.553 0.378 -16.821 1.00 42.15 H new ATOM 0 HD2 LYS B 35 -11.650 -0.521 -18.833 1.00 42.22 H new ATOM 0 HD3 LYS B 35 -10.370 -1.597 -18.309 1.00 42.22 H new ATOM 0 HE2 LYS B 35 -13.286 -2.084 -17.562 1.00 61.43 H new ATOM 0 HE3 LYS B 35 -12.604 -2.673 -19.065 1.00 61.43 H new ATOM 0 HZ1 LYS B 35 -12.011 -4.458 -17.910 1.00 44.23 H new ATOM 0 HZ2 LYS B 35 -10.819 -3.507 -17.163 1.00 44.23 H new ATOM 0 HZ3 LYS B 35 -12.329 -3.717 -16.416 1.00 44.23 H new ATOM 1819 N LEU B 36 -9.977 -0.805 -11.826 1.00 72.13 N ATOM 1820 CA LEU B 36 -9.745 -1.500 -10.540 1.00 52.24 C ATOM 1821 C LEU B 36 -11.090 -1.851 -9.855 1.00 54.11 C ATOM 1822 O LEU B 36 -12.047 -1.065 -9.915 1.00 1.34 O ATOM 1823 CB LEU B 36 -8.892 -0.603 -9.604 1.00 71.33 C ATOM 1824 CG LEU B 36 -7.541 -0.091 -10.195 1.00 1.35 C ATOM 1825 CD1 LEU B 36 -6.796 0.825 -9.203 1.00 12.52 C ATOM 1826 CD2 LEU B 36 -6.643 -1.258 -10.667 1.00 72.13 C ATOM 0 H LEU B 36 -9.938 0.211 -11.751 1.00 72.13 H new ATOM 0 HA LEU B 36 -9.208 -2.428 -10.739 1.00 52.24 H new ATOM 0 HB2 LEU B 36 -9.491 0.261 -9.316 1.00 71.33 H new ATOM 0 HB3 LEU B 36 -8.679 -1.161 -8.692 1.00 71.33 H new ATOM 0 HG LEU B 36 -7.784 0.508 -11.073 1.00 1.35 H new ATOM 0 HD11 LEU B 36 -5.861 1.161 -9.650 1.00 12.52 H new ATOM 0 HD12 LEU B 36 -7.417 1.689 -8.969 1.00 12.52 H new ATOM 0 HD13 LEU B 36 -6.583 0.273 -8.288 1.00 12.52 H new ATOM 0 HD21 LEU B 36 -5.712 -0.860 -11.072 1.00 72.13 H new ATOM 0 HD22 LEU B 36 -6.422 -1.911 -9.823 1.00 72.13 H new ATOM 0 HD23 LEU B 36 -7.161 -1.826 -11.440 1.00 72.13 H new ATOM 1838 N LYS B 37 -11.132 -3.013 -9.180 1.00 65.44 N ATOM 1839 CA LYS B 37 -12.356 -3.529 -8.508 1.00 12.24 C ATOM 1840 C LYS B 37 -12.606 -2.745 -7.200 1.00 15.21 C ATOM 1841 O LYS B 37 -13.748 -2.440 -6.838 1.00 11.40 O ATOM 1842 CB LYS B 37 -12.232 -5.058 -8.189 1.00 51.12 C ATOM 1843 CG LYS B 37 -11.983 -5.994 -9.413 1.00 13.44 C ATOM 1844 CD LYS B 37 -10.521 -5.970 -9.933 1.00 73.21 C ATOM 1845 CE LYS B 37 -9.504 -6.449 -8.880 1.00 60.41 C ATOM 1846 NZ LYS B 37 -8.104 -6.252 -9.326 1.00 33.00 N ATOM 0 H LYS B 37 -10.323 -3.627 -9.080 1.00 65.44 H new ATOM 0 HA LYS B 37 -13.196 -3.391 -9.188 1.00 12.24 H new ATOM 0 HB2 LYS B 37 -11.416 -5.196 -7.479 1.00 51.12 H new ATOM 0 HB3 LYS B 37 -13.146 -5.380 -7.690 1.00 51.12 H new ATOM 0 HG2 LYS B 37 -12.244 -7.016 -9.136 1.00 13.44 H new ATOM 0 HG3 LYS B 37 -12.652 -5.703 -10.223 1.00 13.44 H new ATOM 0 HD2 LYS B 37 -10.445 -6.601 -10.818 1.00 73.21 H new ATOM 0 HD3 LYS B 37 -10.267 -4.956 -10.242 1.00 73.21 H new ATOM 0 HE2 LYS B 37 -9.666 -5.908 -7.948 1.00 60.41 H new ATOM 0 HE3 LYS B 37 -9.672 -7.505 -8.669 1.00 60.41 H new ATOM 0 HZ1 LYS B 37 -7.546 -5.844 -8.549 1.00 33.00 H new ATOM 0 HZ2 LYS B 37 -7.696 -7.168 -9.602 1.00 33.00 H new ATOM 0 HZ3 LYS B 37 -8.087 -5.606 -10.141 1.00 33.00 H new ATOM 1860 N ALA B 38 -11.499 -2.424 -6.515 1.00 51.53 N ATOM 1861 CA ALA B 38 -11.493 -1.660 -5.255 1.00 34.12 C ATOM 1862 C ALA B 38 -10.326 -0.648 -5.238 1.00 35.01 C ATOM 1863 O ALA B 38 -9.401 -0.721 -6.057 1.00 12.12 O ATOM 1864 CB ALA B 38 -11.402 -2.628 -4.059 1.00 62.41 C ATOM 0 H ALA B 38 -10.565 -2.692 -6.825 1.00 51.53 H new ATOM 0 HA ALA B 38 -12.423 -1.096 -5.177 1.00 34.12 H new ATOM 0 HB1 ALA B 38 -11.398 -2.059 -3.130 1.00 62.41 H new ATOM 0 HB2 ALA B 38 -12.260 -3.300 -4.069 1.00 62.41 H new ATOM 0 HB3 ALA B 38 -10.484 -3.211 -4.132 1.00 62.41 H new ATOM 1870 N ASP B 39 -10.396 0.298 -4.296 1.00 33.44 N ATOM 1871 CA ASP B 39 -9.317 1.282 -4.035 1.00 62.43 C ATOM 1872 C ASP B 39 -8.057 0.603 -3.458 1.00 43.12 C ATOM 1873 O ASP B 39 -6.954 1.140 -3.565 1.00 2.15 O ATOM 1874 CB ASP B 39 -9.845 2.393 -3.105 1.00 31.32 C ATOM 1875 CG ASP B 39 -10.978 3.181 -3.777 1.00 33.41 C ATOM 1876 OD1 ASP B 39 -10.679 4.090 -4.582 1.00 34.22 O ATOM 1877 OD2 ASP B 39 -12.165 2.871 -3.542 1.00 64.01 O ATOM 0 H ASP B 39 -11.204 0.411 -3.684 1.00 33.44 H new ATOM 0 HA ASP B 39 -9.018 1.734 -4.981 1.00 62.43 H new ATOM 0 HB2 ASP B 39 -10.205 1.953 -2.175 1.00 31.32 H new ATOM 0 HB3 ASP B 39 -9.032 3.070 -2.843 1.00 31.32 H new ATOM 1882 N LYS B 40 -8.257 -0.574 -2.829 1.00 13.44 N ATOM 1883 CA LYS B 40 -7.160 -1.460 -2.349 1.00 51.54 C ATOM 1884 C LYS B 40 -6.161 -1.824 -3.481 1.00 4.11 C ATOM 1885 O LYS B 40 -4.959 -1.952 -3.231 1.00 50.51 O ATOM 1886 CB LYS B 40 -7.758 -2.751 -1.734 1.00 23.55 C ATOM 1887 CG LYS B 40 -8.771 -2.496 -0.599 1.00 13.40 C ATOM 1888 CD LYS B 40 -8.140 -1.866 0.669 1.00 34.24 C ATOM 1889 CE LYS B 40 -9.202 -1.491 1.723 1.00 51.12 C ATOM 1890 NZ LYS B 40 -10.067 -2.646 2.103 1.00 14.44 N ATOM 0 H LYS B 40 -9.188 -0.944 -2.636 1.00 13.44 H new ATOM 0 HA LYS B 40 -6.604 -0.911 -1.589 1.00 51.54 H new ATOM 0 HB2 LYS B 40 -8.248 -3.323 -2.522 1.00 23.55 H new ATOM 0 HB3 LYS B 40 -6.946 -3.368 -1.350 1.00 23.55 H new ATOM 0 HG2 LYS B 40 -9.558 -1.838 -0.967 1.00 13.40 H new ATOM 0 HG3 LYS B 40 -9.245 -3.439 -0.328 1.00 13.40 H new ATOM 0 HD2 LYS B 40 -7.429 -2.567 1.106 1.00 34.24 H new ATOM 0 HD3 LYS B 40 -7.578 -0.975 0.389 1.00 34.24 H new ATOM 0 HE2 LYS B 40 -8.705 -1.106 2.613 1.00 51.12 H new ATOM 0 HE3 LYS B 40 -9.826 -0.687 1.334 1.00 51.12 H new ATOM 0 HZ1 LYS B 40 -10.694 -2.368 2.884 1.00 14.44 H new ATOM 0 HZ2 LYS B 40 -10.640 -2.934 1.285 1.00 14.44 H new ATOM 0 HZ3 LYS B 40 -9.470 -3.442 2.405 1.00 14.44 H new ATOM 1904 N ASP B 41 -6.677 -1.963 -4.721 1.00 61.23 N ATOM 1905 CA ASP B 41 -5.846 -2.227 -5.918 1.00 40.22 C ATOM 1906 C ASP B 41 -4.899 -1.037 -6.209 1.00 50.12 C ATOM 1907 O ASP B 41 -3.757 -1.228 -6.648 1.00 32.35 O ATOM 1908 CB ASP B 41 -6.735 -2.508 -7.153 1.00 35.31 C ATOM 1909 CG ASP B 41 -7.543 -3.804 -7.042 1.00 53.12 C ATOM 1910 OD1 ASP B 41 -6.928 -4.897 -7.087 1.00 42.10 O ATOM 1911 OD2 ASP B 41 -8.791 -3.745 -6.945 1.00 0.41 O ATOM 0 H ASP B 41 -7.675 -1.896 -4.921 1.00 61.23 H new ATOM 0 HA ASP B 41 -5.241 -3.110 -5.713 1.00 40.22 H new ATOM 0 HB2 ASP B 41 -7.421 -1.673 -7.295 1.00 35.31 H new ATOM 0 HB3 ASP B 41 -6.105 -2.557 -8.041 1.00 35.31 H new ATOM 1916 N PHE B 42 -5.383 0.191 -5.949 1.00 12.40 N ATOM 1917 CA PHE B 42 -4.568 1.404 -6.121 1.00 41.22 C ATOM 1918 C PHE B 42 -3.438 1.454 -5.074 1.00 71.52 C ATOM 1919 O PHE B 42 -2.307 1.771 -5.413 1.00 25.34 O ATOM 1920 CB PHE B 42 -5.428 2.693 -6.039 1.00 70.15 C ATOM 1921 CG PHE B 42 -4.607 3.969 -6.223 1.00 40.22 C ATOM 1922 CD1 PHE B 42 -4.060 4.281 -7.466 1.00 43.35 C ATOM 1923 CD2 PHE B 42 -4.343 4.830 -5.153 1.00 2.31 C ATOM 1924 CE1 PHE B 42 -3.301 5.417 -7.637 1.00 64.22 C ATOM 1925 CE2 PHE B 42 -3.582 5.969 -5.330 1.00 32.54 C ATOM 1926 CZ PHE B 42 -3.056 6.258 -6.573 1.00 4.01 C ATOM 0 H PHE B 42 -6.332 0.368 -5.620 1.00 12.40 H new ATOM 0 HA PHE B 42 -4.128 1.359 -7.117 1.00 41.22 H new ATOM 0 HB2 PHE B 42 -6.205 2.654 -6.802 1.00 70.15 H new ATOM 0 HB3 PHE B 42 -5.931 2.727 -5.073 1.00 70.15 H new ATOM 0 HD1 PHE B 42 -4.233 3.624 -8.305 1.00 43.35 H new ATOM 0 HD2 PHE B 42 -4.740 4.601 -4.175 1.00 2.31 H new ATOM 0 HE1 PHE B 42 -2.895 5.650 -8.610 1.00 64.22 H new ATOM 0 HE2 PHE B 42 -3.399 6.632 -4.497 1.00 32.54 H new ATOM 0 HZ PHE B 42 -2.453 7.143 -6.712 1.00 4.01 H new ATOM 1936 N PHE B 43 -3.765 1.129 -3.810 1.00 4.51 N ATOM 1937 CA PHE B 43 -2.811 1.228 -2.678 1.00 64.13 C ATOM 1938 C PHE B 43 -1.626 0.228 -2.819 1.00 52.25 C ATOM 1939 O PHE B 43 -0.467 0.600 -2.601 1.00 22.43 O ATOM 1940 CB PHE B 43 -3.558 1.013 -1.332 1.00 44.34 C ATOM 1941 CG PHE B 43 -4.673 2.033 -1.054 1.00 75.12 C ATOM 1942 CD1 PHE B 43 -4.441 3.407 -1.183 1.00 44.51 C ATOM 1943 CD2 PHE B 43 -5.948 1.621 -0.657 1.00 74.22 C ATOM 1944 CE1 PHE B 43 -5.445 4.325 -0.921 1.00 12.31 C ATOM 1945 CE2 PHE B 43 -6.950 2.540 -0.398 1.00 40.44 C ATOM 1946 CZ PHE B 43 -6.698 3.892 -0.533 1.00 50.04 C ATOM 0 H PHE B 43 -4.689 0.792 -3.540 1.00 4.51 H new ATOM 0 HA PHE B 43 -2.382 2.230 -2.693 1.00 64.13 H new ATOM 0 HB2 PHE B 43 -3.989 0.012 -1.326 1.00 44.34 H new ATOM 0 HB3 PHE B 43 -2.834 1.054 -0.518 1.00 44.34 H new ATOM 0 HD1 PHE B 43 -3.467 3.756 -1.491 1.00 44.51 H new ATOM 0 HD2 PHE B 43 -6.155 0.566 -0.550 1.00 74.22 H new ATOM 0 HE1 PHE B 43 -5.247 5.382 -1.020 1.00 12.31 H new ATOM 0 HE2 PHE B 43 -7.928 2.201 -0.091 1.00 40.44 H new ATOM 0 HZ PHE B 43 -7.480 4.610 -0.335 1.00 50.04 H new ATOM 1956 N LEU B 44 -1.936 -1.029 -3.207 1.00 3.12 N ATOM 1957 CA LEU B 44 -0.912 -2.091 -3.436 1.00 55.53 C ATOM 1958 C LEU B 44 -0.020 -1.764 -4.665 1.00 24.14 C ATOM 1959 O LEU B 44 1.207 -1.935 -4.611 1.00 42.44 O ATOM 1960 CB LEU B 44 -1.587 -3.496 -3.587 1.00 62.52 C ATOM 1961 CG LEU B 44 -1.921 -4.256 -2.251 1.00 3.22 C ATOM 1962 CD1 LEU B 44 -2.864 -3.450 -1.329 1.00 4.51 C ATOM 1963 CD2 LEU B 44 -2.492 -5.668 -2.532 1.00 51.32 C ATOM 0 H LEU B 44 -2.893 -1.341 -3.371 1.00 3.12 H new ATOM 0 HA LEU B 44 -0.264 -2.120 -2.560 1.00 55.53 H new ATOM 0 HB2 LEU B 44 -2.512 -3.372 -4.151 1.00 62.52 H new ATOM 0 HB3 LEU B 44 -0.931 -4.128 -4.185 1.00 62.52 H new ATOM 0 HG LEU B 44 -0.978 -4.370 -1.717 1.00 3.22 H new ATOM 0 HD11 LEU B 44 -3.061 -4.021 -0.422 1.00 4.51 H new ATOM 0 HD12 LEU B 44 -2.394 -2.502 -1.066 1.00 4.51 H new ATOM 0 HD13 LEU B 44 -3.803 -3.257 -1.848 1.00 4.51 H new ATOM 0 HD21 LEU B 44 -2.712 -6.166 -1.588 1.00 51.32 H new ATOM 0 HD22 LEU B 44 -3.407 -5.580 -3.118 1.00 51.32 H new ATOM 0 HD23 LEU B 44 -1.759 -6.253 -3.088 1.00 51.32 H new ATOM 1975 N GLY B 45 -0.651 -1.278 -5.756 1.00 75.15 N ATOM 1976 CA GLY B 45 0.081 -0.845 -6.959 1.00 14.01 C ATOM 1977 C GLY B 45 0.995 0.366 -6.708 1.00 13.31 C ATOM 1978 O GLY B 45 2.160 0.370 -7.108 1.00 3.13 O ATOM 0 H GLY B 45 -1.664 -1.177 -5.825 1.00 75.15 H new ATOM 0 HA2 GLY B 45 0.682 -1.675 -7.329 1.00 14.01 H new ATOM 0 HA3 GLY B 45 -0.635 -0.596 -7.742 1.00 14.01 H new ATOM 1982 N LEU B 46 0.462 1.364 -5.977 1.00 31.41 N ATOM 1983 CA LEU B 46 1.165 2.638 -5.664 1.00 2.32 C ATOM 1984 C LEU B 46 2.406 2.400 -4.769 1.00 53.14 C ATOM 1985 O LEU B 46 3.414 3.102 -4.887 1.00 12.12 O ATOM 1986 CB LEU B 46 0.188 3.620 -4.954 1.00 43.22 C ATOM 1987 CG LEU B 46 0.735 5.060 -4.676 1.00 64.45 C ATOM 1988 CD1 LEU B 46 1.039 5.798 -5.996 1.00 73.41 C ATOM 1989 CD2 LEU B 46 -0.231 5.875 -3.777 1.00 41.10 C ATOM 0 H LEU B 46 -0.476 1.315 -5.580 1.00 31.41 H new ATOM 0 HA LEU B 46 1.506 3.071 -6.605 1.00 2.32 H new ATOM 0 HB2 LEU B 46 -0.712 3.707 -5.562 1.00 43.22 H new ATOM 0 HB3 LEU B 46 -0.111 3.178 -4.004 1.00 43.22 H new ATOM 0 HG LEU B 46 1.672 4.959 -4.128 1.00 64.45 H new ATOM 0 HD11 LEU B 46 1.418 6.796 -5.776 1.00 73.41 H new ATOM 0 HD12 LEU B 46 1.788 5.242 -6.560 1.00 73.41 H new ATOM 0 HD13 LEU B 46 0.126 5.878 -6.587 1.00 73.41 H new ATOM 0 HD21 LEU B 46 0.183 6.869 -3.606 1.00 41.10 H new ATOM 0 HD22 LEU B 46 -1.199 5.965 -4.270 1.00 41.10 H new ATOM 0 HD23 LEU B 46 -0.357 5.365 -2.822 1.00 41.10 H new ATOM 2001 N GLY B 47 2.313 1.383 -3.897 1.00 14.20 N ATOM 2002 CA GLY B 47 3.413 1.007 -2.989 1.00 30.41 C ATOM 2003 C GLY B 47 4.634 0.464 -3.738 1.00 75.11 C ATOM 2004 O GLY B 47 5.783 0.649 -3.311 1.00 22.33 O ATOM 0 H GLY B 47 1.481 0.801 -3.800 1.00 14.20 H new ATOM 0 HA2 GLY B 47 3.708 1.877 -2.402 1.00 30.41 H new ATOM 0 HA3 GLY B 47 3.058 0.254 -2.286 1.00 30.41 H new ATOM 2008 N TRP B 48 4.368 -0.203 -4.875 1.00 25.44 N ATOM 2009 CA TRP B 48 5.415 -0.716 -5.775 1.00 64.20 C ATOM 2010 C TRP B 48 6.027 0.443 -6.623 1.00 62.42 C ATOM 2011 O TRP B 48 7.209 0.426 -6.972 1.00 53.31 O ATOM 2012 CB TRP B 48 4.834 -1.838 -6.684 1.00 75.43 C ATOM 2013 CG TRP B 48 5.889 -2.797 -7.171 1.00 34.30 C ATOM 2014 CD1 TRP B 48 6.748 -2.631 -8.219 1.00 72.44 C ATOM 2015 CD2 TRP B 48 6.214 -4.065 -6.587 1.00 75.40 C ATOM 2016 NE1 TRP B 48 7.606 -3.695 -8.297 1.00 10.23 N ATOM 2017 CE2 TRP B 48 7.290 -4.596 -7.318 1.00 71.50 C ATOM 2018 CE3 TRP B 48 5.697 -4.797 -5.514 1.00 12.23 C ATOM 2019 CZ2 TRP B 48 7.869 -5.817 -7.004 1.00 21.33 C ATOM 2020 CZ3 TRP B 48 6.266 -6.017 -5.205 1.00 64.12 C ATOM 2021 CH2 TRP B 48 7.344 -6.519 -5.945 1.00 61.44 C ATOM 0 H TRP B 48 3.420 -0.401 -5.196 1.00 25.44 H new ATOM 0 HA TRP B 48 6.218 -1.145 -5.176 1.00 64.20 H new ATOM 0 HB2 TRP B 48 4.074 -2.390 -6.131 1.00 75.43 H new ATOM 0 HB3 TRP B 48 4.338 -1.384 -7.542 1.00 75.43 H new ATOM 0 HD1 TRP B 48 6.750 -1.784 -8.889 1.00 72.44 H new ATOM 0 HE1 TRP B 48 8.360 -3.799 -8.976 1.00 10.23 H new ATOM 0 HE3 TRP B 48 4.868 -4.415 -4.937 1.00 12.23 H new ATOM 0 HZ2 TRP B 48 8.703 -6.203 -7.572 1.00 21.33 H new ATOM 0 HZ3 TRP B 48 5.874 -6.593 -4.380 1.00 64.12 H new ATOM 0 HH2 TRP B 48 7.771 -7.475 -5.679 1.00 61.44 H new ATOM 2032 N LEU B 49 5.203 1.449 -6.945 1.00 63.41 N ATOM 2033 CA LEU B 49 5.670 2.708 -7.590 1.00 72.43 C ATOM 2034 C LEU B 49 6.588 3.527 -6.635 1.00 4.31 C ATOM 2035 O LEU B 49 7.465 4.266 -7.093 1.00 21.22 O ATOM 2036 CB LEU B 49 4.447 3.560 -8.054 1.00 42.44 C ATOM 2037 CG LEU B 49 3.786 3.196 -9.429 1.00 4.50 C ATOM 2038 CD1 LEU B 49 3.584 1.700 -9.584 1.00 72.44 C ATOM 2039 CD2 LEU B 49 2.440 3.937 -9.611 1.00 74.21 C ATOM 0 H LEU B 49 4.198 1.425 -6.772 1.00 63.41 H new ATOM 0 HA LEU B 49 6.263 2.443 -8.465 1.00 72.43 H new ATOM 0 HB2 LEU B 49 3.679 3.492 -7.284 1.00 42.44 H new ATOM 0 HB3 LEU B 49 4.762 4.603 -8.099 1.00 42.44 H new ATOM 0 HG LEU B 49 4.476 3.522 -10.208 1.00 4.50 H new ATOM 0 HD11 LEU B 49 3.124 1.493 -10.550 1.00 72.44 H new ATOM 0 HD12 LEU B 49 4.548 1.195 -9.526 1.00 72.44 H new ATOM 0 HD13 LEU B 49 2.935 1.336 -8.788 1.00 72.44 H new ATOM 0 HD21 LEU B 49 2.003 3.667 -10.572 1.00 74.21 H new ATOM 0 HD22 LEU B 49 1.758 3.654 -8.810 1.00 74.21 H new ATOM 0 HD23 LEU B 49 2.610 5.013 -9.579 1.00 74.21 H new ATOM 2051 N LEU B 50 6.345 3.400 -5.310 1.00 41.32 N ATOM 2052 CA LEU B 50 7.179 4.029 -4.253 1.00 74.13 C ATOM 2053 C LEU B 50 8.581 3.378 -4.130 1.00 75.35 C ATOM 2054 O LEU B 50 9.564 4.091 -3.892 1.00 43.41 O ATOM 2055 CB LEU B 50 6.437 3.985 -2.881 1.00 33.02 C ATOM 2056 CG LEU B 50 5.208 4.943 -2.742 1.00 5.20 C ATOM 2057 CD1 LEU B 50 4.421 4.666 -1.439 1.00 25.13 C ATOM 2058 CD2 LEU B 50 5.653 6.425 -2.830 1.00 15.42 C ATOM 0 H LEU B 50 5.564 2.858 -4.940 1.00 41.32 H new ATOM 0 HA LEU B 50 7.337 5.067 -4.547 1.00 74.13 H new ATOM 0 HB2 LEU B 50 6.100 2.964 -2.704 1.00 33.02 H new ATOM 0 HB3 LEU B 50 7.152 4.225 -2.094 1.00 33.02 H new ATOM 0 HG LEU B 50 4.533 4.746 -3.575 1.00 5.20 H new ATOM 0 HD11 LEU B 50 3.574 5.349 -1.374 1.00 25.13 H new ATOM 0 HD12 LEU B 50 4.059 3.638 -1.444 1.00 25.13 H new ATOM 0 HD13 LEU B 50 5.075 4.816 -0.580 1.00 25.13 H new ATOM 0 HD21 LEU B 50 4.782 7.073 -2.731 1.00 15.42 H new ATOM 0 HD22 LEU B 50 6.359 6.641 -2.028 1.00 15.42 H new ATOM 0 HD23 LEU B 50 6.131 6.605 -3.793 1.00 15.42 H new ATOM 2070 N ARG B 51 8.683 2.030 -4.277 1.00 33.50 N ATOM 2071 CA ARG B 51 10.011 1.336 -4.216 1.00 21.40 C ATOM 2072 C ARG B 51 10.888 1.675 -5.433 1.00 60.22 C ATOM 2073 O ARG B 51 12.117 1.682 -5.336 1.00 2.43 O ATOM 2074 CB ARG B 51 9.881 -0.208 -4.047 1.00 11.33 C ATOM 2075 CG ARG B 51 9.307 -1.004 -5.239 1.00 63.40 C ATOM 2076 CD ARG B 51 9.122 -2.498 -4.926 1.00 72.54 C ATOM 2077 NE ARG B 51 10.398 -3.195 -4.684 1.00 64.14 N ATOM 2078 CZ ARG B 51 10.532 -4.401 -4.157 1.00 11.24 C ATOM 2079 NH1 ARG B 51 9.499 -5.074 -3.742 1.00 24.41 N ATOM 2080 NH2 ARG B 51 11.708 -4.920 -4.029 1.00 34.32 N ATOM 0 H ARG B 51 7.888 1.410 -4.435 1.00 33.50 H new ATOM 0 HA ARG B 51 10.504 1.716 -3.321 1.00 21.40 H new ATOM 0 HB2 ARG B 51 10.869 -0.607 -3.819 1.00 11.33 H new ATOM 0 HB3 ARG B 51 9.252 -0.401 -3.178 1.00 11.33 H new ATOM 0 HG2 ARG B 51 8.346 -0.576 -5.526 1.00 63.40 H new ATOM 0 HG3 ARG B 51 9.973 -0.897 -6.095 1.00 63.40 H new ATOM 0 HD2 ARG B 51 8.484 -2.604 -4.049 1.00 72.54 H new ATOM 0 HD3 ARG B 51 8.604 -2.977 -5.757 1.00 72.54 H new ATOM 0 HE ARG B 51 11.253 -2.704 -4.946 1.00 64.14 H new ATOM 0 HH11 ARG B 51 8.564 -4.673 -3.820 1.00 24.41 H new ATOM 0 HH12 ARG B 51 9.624 -6.003 -3.339 1.00 24.41 H new ATOM 0 HH21 ARG B 51 12.531 -4.400 -4.334 1.00 34.32 H new ATOM 0 HH22 ARG B 51 11.814 -5.850 -3.623 1.00 34.32 H new ATOM 2094 N GLU B 52 10.239 1.970 -6.569 1.00 25.24 N ATOM 2095 CA GLU B 52 10.926 2.372 -7.805 1.00 10.22 C ATOM 2096 C GLU B 52 11.082 3.908 -7.866 1.00 72.33 C ATOM 2097 O GLU B 52 11.885 4.418 -8.660 1.00 54.31 O ATOM 2098 CB GLU B 52 10.135 1.839 -9.025 1.00 32.30 C ATOM 2099 CG GLU B 52 9.985 0.302 -9.060 1.00 71.30 C ATOM 2100 CD GLU B 52 9.187 -0.200 -10.278 1.00 15.51 C ATOM 2101 OE1 GLU B 52 7.948 -0.316 -10.187 1.00 0.25 O ATOM 2102 OE2 GLU B 52 9.795 -0.440 -11.346 1.00 11.22 O ATOM 0 H GLU B 52 9.223 1.937 -6.657 1.00 25.24 H new ATOM 0 HA GLU B 52 11.928 1.942 -7.820 1.00 10.22 H new ATOM 0 HB2 GLU B 52 9.143 2.290 -9.025 1.00 32.30 H new ATOM 0 HB3 GLU B 52 10.634 2.165 -9.938 1.00 32.30 H new ATOM 0 HG2 GLU B 52 10.975 -0.154 -9.069 1.00 71.30 H new ATOM 0 HG3 GLU B 52 9.490 -0.030 -8.147 1.00 71.30 H new ATOM 2109 N ASP B 53 10.267 4.628 -7.045 1.00 61.23 N ATOM 2110 CA ASP B 53 10.319 6.106 -6.899 1.00 50.43 C ATOM 2111 C ASP B 53 9.897 6.816 -8.232 1.00 73.31 C ATOM 2112 O ASP B 53 10.206 7.984 -8.485 1.00 43.03 O ATOM 2113 CB ASP B 53 11.727 6.506 -6.360 1.00 2.44 C ATOM 2114 CG ASP B 53 11.967 8.012 -6.208 1.00 73.44 C ATOM 2115 OD1 ASP B 53 11.228 8.676 -5.450 1.00 52.03 O ATOM 2116 OD2 ASP B 53 12.896 8.532 -6.855 1.00 11.55 O ATOM 0 H ASP B 53 9.551 4.193 -6.463 1.00 61.23 H new ATOM 0 HA ASP B 53 9.591 6.453 -6.166 1.00 50.43 H new ATOM 0 HB2 ASP B 53 11.875 6.032 -5.390 1.00 2.44 H new ATOM 0 HB3 ASP B 53 12.484 6.100 -7.032 1.00 2.44 H new ATOM 2121 N LYS B 54 9.095 6.097 -9.045 1.00 14.05 N ATOM 2122 CA LYS B 54 8.615 6.598 -10.355 1.00 1.42 C ATOM 2123 C LYS B 54 7.446 7.595 -10.201 1.00 40.20 C ATOM 2124 O LYS B 54 7.055 8.241 -11.174 1.00 42.01 O ATOM 2125 CB LYS B 54 8.172 5.419 -11.258 1.00 73.32 C ATOM 2126 CG LYS B 54 9.293 4.417 -11.601 1.00 74.30 C ATOM 2127 CD LYS B 54 8.823 3.266 -12.523 1.00 52.31 C ATOM 2128 CE LYS B 54 7.614 2.500 -11.957 1.00 62.42 C ATOM 2129 NZ LYS B 54 7.377 1.222 -12.664 1.00 1.42 N ATOM 0 H LYS B 54 8.763 5.160 -8.817 1.00 14.05 H new ATOM 0 HA LYS B 54 9.449 7.124 -10.820 1.00 1.42 H new ATOM 0 HB2 LYS B 54 7.363 4.883 -10.762 1.00 73.32 H new ATOM 0 HB3 LYS B 54 7.766 5.822 -12.186 1.00 73.32 H new ATOM 0 HG2 LYS B 54 10.112 4.950 -12.085 1.00 74.30 H new ATOM 0 HG3 LYS B 54 9.689 3.995 -10.677 1.00 74.30 H new ATOM 0 HD2 LYS B 54 8.563 3.673 -13.500 1.00 52.31 H new ATOM 0 HD3 LYS B 54 9.648 2.570 -12.676 1.00 52.31 H new ATOM 0 HE2 LYS B 54 7.776 2.302 -10.898 1.00 62.42 H new ATOM 0 HE3 LYS B 54 6.724 3.124 -12.032 1.00 62.42 H new ATOM 0 HZ1 LYS B 54 6.463 1.263 -13.159 1.00 1.42 H new ATOM 0 HZ2 LYS B 54 8.138 1.061 -13.354 1.00 1.42 H new ATOM 0 HZ3 LYS B 54 7.363 0.442 -11.976 1.00 1.42 H new ATOM 2143 N VAL B 55 6.881 7.702 -8.979 1.00 33.42 N ATOM 2144 CA VAL B 55 5.774 8.649 -8.682 1.00 52.14 C ATOM 2145 C VAL B 55 6.033 9.435 -7.383 1.00 33.23 C ATOM 2146 O VAL B 55 6.882 9.062 -6.564 1.00 51.23 O ATOM 2147 CB VAL B 55 4.367 7.946 -8.565 1.00 31.44 C ATOM 2148 CG1 VAL B 55 3.982 7.225 -9.877 1.00 25.34 C ATOM 2149 CG2 VAL B 55 4.317 6.990 -7.344 1.00 4.34 C ATOM 0 H VAL B 55 7.172 7.144 -8.177 1.00 33.42 H new ATOM 0 HA VAL B 55 5.750 9.328 -9.534 1.00 52.14 H new ATOM 0 HB VAL B 55 3.621 8.724 -8.399 1.00 31.44 H new ATOM 0 HG11 VAL B 55 3.007 6.752 -9.760 1.00 25.34 H new ATOM 0 HG12 VAL B 55 3.939 7.949 -10.691 1.00 25.34 H new ATOM 0 HG13 VAL B 55 4.729 6.465 -10.107 1.00 25.34 H new ATOM 0 HG21 VAL B 55 3.335 6.520 -7.290 1.00 4.34 H new ATOM 0 HG22 VAL B 55 5.082 6.221 -7.453 1.00 4.34 H new ATOM 0 HG23 VAL B 55 4.499 7.556 -6.431 1.00 4.34 H new ATOM 2159 N VAL B 56 5.267 10.522 -7.216 1.00 0.11 N ATOM 2160 CA VAL B 56 5.257 11.349 -5.998 1.00 22.13 C ATOM 2161 C VAL B 56 3.794 11.674 -5.609 1.00 2.32 C ATOM 2162 O VAL B 56 2.942 11.878 -6.480 1.00 34.34 O ATOM 2163 CB VAL B 56 6.119 12.660 -6.191 1.00 53.00 C ATOM 2164 CG1 VAL B 56 5.651 13.482 -7.417 1.00 13.55 C ATOM 2165 CG2 VAL B 56 6.157 13.526 -4.902 1.00 0.40 C ATOM 0 H VAL B 56 4.626 10.858 -7.935 1.00 0.11 H new ATOM 0 HA VAL B 56 5.716 10.791 -5.182 1.00 22.13 H new ATOM 0 HB VAL B 56 7.141 12.338 -6.390 1.00 53.00 H new ATOM 0 HG11 VAL B 56 6.269 14.375 -7.514 1.00 13.55 H new ATOM 0 HG12 VAL B 56 5.744 12.876 -8.318 1.00 13.55 H new ATOM 0 HG13 VAL B 56 4.610 13.775 -7.283 1.00 13.55 H new ATOM 0 HG21 VAL B 56 6.760 14.416 -5.080 1.00 0.40 H new ATOM 0 HG22 VAL B 56 5.143 13.822 -4.633 1.00 0.40 H new ATOM 0 HG23 VAL B 56 6.595 12.948 -4.088 1.00 0.40 H new ATOM 2175 N THR B 57 3.518 11.723 -4.296 1.00 53.25 N ATOM 2176 CA THR B 57 2.152 11.870 -3.759 1.00 15.05 C ATOM 2177 C THR B 57 1.883 13.330 -3.335 1.00 55.53 C ATOM 2178 O THR B 57 2.772 14.027 -2.833 1.00 0.11 O ATOM 2179 CB THR B 57 1.938 10.939 -2.521 1.00 31.22 C ATOM 2180 OG1 THR B 57 2.831 11.329 -1.463 1.00 45.42 O ATOM 2181 CG2 THR B 57 2.179 9.453 -2.859 1.00 73.11 C ATOM 0 H THR B 57 4.236 11.662 -3.574 1.00 53.25 H new ATOM 0 HA THR B 57 1.458 11.587 -4.551 1.00 15.05 H new ATOM 0 HB THR B 57 0.900 11.049 -2.208 1.00 31.22 H new ATOM 0 HG1 THR B 57 2.363 11.277 -0.604 1.00 45.42 H new ATOM 0 HG21 THR B 57 2.018 8.846 -1.968 1.00 73.11 H new ATOM 0 HG22 THR B 57 1.486 9.141 -3.640 1.00 73.11 H new ATOM 0 HG23 THR B 57 3.203 9.321 -3.208 1.00 73.11 H new ATOM 2189 N SER B 58 0.644 13.786 -3.571 1.00 13.15 N ATOM 2190 CA SER B 58 0.181 15.155 -3.235 1.00 53.31 C ATOM 2191 C SER B 58 -1.279 15.109 -2.736 1.00 43.05 C ATOM 2192 O SER B 58 -2.035 14.197 -3.087 1.00 40.22 O ATOM 2193 CB SER B 58 0.297 16.090 -4.473 1.00 13.42 C ATOM 2194 OG SER B 58 1.645 16.203 -4.926 1.00 21.31 O ATOM 0 H SER B 58 -0.079 13.213 -4.006 1.00 13.15 H new ATOM 0 HA SER B 58 0.815 15.553 -2.443 1.00 53.31 H new ATOM 0 HB2 SER B 58 -0.327 15.704 -5.280 1.00 13.42 H new ATOM 0 HB3 SER B 58 -0.085 17.079 -4.219 1.00 13.42 H new ATOM 0 HG SER B 58 1.680 16.796 -5.705 1.00 21.31 H new ATOM 2200 N GLU B 59 -1.668 16.092 -1.914 1.00 12.31 N ATOM 2201 CA GLU B 59 -3.029 16.173 -1.341 1.00 23.13 C ATOM 2202 C GLU B 59 -3.852 17.246 -2.083 1.00 54.02 C ATOM 2203 O GLU B 59 -3.617 18.449 -1.907 1.00 10.13 O ATOM 2204 CB GLU B 59 -2.947 16.507 0.174 1.00 31.34 C ATOM 2205 CG GLU B 59 -4.304 16.563 0.907 1.00 20.14 C ATOM 2206 CD GLU B 59 -4.173 17.065 2.357 1.00 31.14 C ATOM 2207 OE1 GLU B 59 -3.895 16.250 3.261 1.00 74.04 O ATOM 2208 OE2 GLU B 59 -4.321 18.285 2.592 1.00 24.33 O ATOM 0 H GLU B 59 -1.055 16.854 -1.625 1.00 12.31 H new ATOM 0 HA GLU B 59 -3.524 15.209 -1.461 1.00 23.13 H new ATOM 0 HB2 GLU B 59 -2.319 15.761 0.661 1.00 31.34 H new ATOM 0 HB3 GLU B 59 -2.448 17.469 0.292 1.00 31.34 H new ATOM 0 HG2 GLU B 59 -4.982 17.218 0.359 1.00 20.14 H new ATOM 0 HG3 GLU B 59 -4.753 15.570 0.909 1.00 20.14 H new ATOM 2215 N VAL B 60 -4.783 16.810 -2.946 1.00 45.02 N ATOM 2216 CA VAL B 60 -5.777 17.702 -3.577 1.00 65.02 C ATOM 2217 C VAL B 60 -7.153 17.486 -2.917 1.00 50.42 C ATOM 2218 O VAL B 60 -7.771 16.421 -3.070 1.00 41.22 O ATOM 2219 CB VAL B 60 -5.853 17.479 -5.141 1.00 34.15 C ATOM 2220 CG1 VAL B 60 -7.062 18.220 -5.785 1.00 40.15 C ATOM 2221 CG2 VAL B 60 -4.528 17.932 -5.800 1.00 34.43 C ATOM 0 H VAL B 60 -4.871 15.833 -3.227 1.00 45.02 H new ATOM 0 HA VAL B 60 -5.464 18.735 -3.421 1.00 65.02 H new ATOM 0 HB VAL B 60 -6.003 16.414 -5.316 1.00 34.15 H new ATOM 0 HG11 VAL B 60 -7.071 18.036 -6.859 1.00 40.15 H new ATOM 0 HG12 VAL B 60 -7.990 17.853 -5.346 1.00 40.15 H new ATOM 0 HG13 VAL B 60 -6.973 19.291 -5.601 1.00 40.15 H new ATOM 0 HG21 VAL B 60 -4.586 17.776 -6.877 1.00 34.43 H new ATOM 0 HG22 VAL B 60 -4.362 18.990 -5.595 1.00 34.43 H new ATOM 0 HG23 VAL B 60 -3.701 17.350 -5.393 1.00 34.43 H new ATOM 2231 N GLU B 61 -7.580 18.506 -2.142 1.00 30.33 N ATOM 2232 CA GLU B 61 -8.911 18.586 -1.493 1.00 32.41 C ATOM 2233 C GLU B 61 -9.189 17.375 -0.558 1.00 31.43 C ATOM 2234 O GLU B 61 -10.320 16.872 -0.473 1.00 64.32 O ATOM 2235 CB GLU B 61 -10.014 18.783 -2.573 1.00 35.14 C ATOM 2236 CG GLU B 61 -9.731 19.954 -3.547 1.00 44.40 C ATOM 2237 CD GLU B 61 -10.907 20.292 -4.473 1.00 32.21 C ATOM 2238 OE1 GLU B 61 -11.870 20.943 -4.008 1.00 1.12 O ATOM 2239 OE2 GLU B 61 -10.878 19.913 -5.663 1.00 52.31 O ATOM 0 H GLU B 61 -6.996 19.318 -1.944 1.00 30.33 H new ATOM 0 HA GLU B 61 -8.923 19.458 -0.838 1.00 32.41 H new ATOM 0 HB2 GLU B 61 -10.117 17.862 -3.147 1.00 35.14 H new ATOM 0 HB3 GLU B 61 -10.969 18.958 -2.077 1.00 35.14 H new ATOM 0 HG2 GLU B 61 -9.471 20.840 -2.968 1.00 44.40 H new ATOM 0 HG3 GLU B 61 -8.862 19.705 -4.156 1.00 44.40 H new ATOM 2246 N GLY B 62 -8.134 16.938 0.163 1.00 31.12 N ATOM 2247 CA GLY B 62 -8.212 15.805 1.106 1.00 60.11 C ATOM 2248 C GLY B 62 -7.858 14.430 0.499 1.00 14.40 C ATOM 2249 O GLY B 62 -7.386 13.542 1.221 1.00 65.24 O ATOM 0 H GLY B 62 -7.207 17.360 0.107 1.00 31.12 H new ATOM 0 HA2 GLY B 62 -7.541 16.000 1.943 1.00 60.11 H new ATOM 0 HA3 GLY B 62 -9.222 15.758 1.512 1.00 60.11 H new ATOM 2253 N GLU B 63 -8.082 14.241 -0.821 1.00 61.30 N ATOM 2254 CA GLU B 63 -7.795 12.949 -1.514 1.00 42.14 C ATOM 2255 C GLU B 63 -6.383 12.885 -2.146 1.00 24.45 C ATOM 2256 O GLU B 63 -5.669 13.894 -2.248 1.00 35.15 O ATOM 2257 CB GLU B 63 -8.875 12.654 -2.595 1.00 33.33 C ATOM 2258 CG GLU B 63 -10.306 12.498 -2.037 1.00 14.24 C ATOM 2259 CD GLU B 63 -11.306 11.936 -3.068 1.00 12.32 C ATOM 2260 OE1 GLU B 63 -11.563 12.600 -4.094 1.00 31.40 O ATOM 2261 OE2 GLU B 63 -11.838 10.819 -2.862 1.00 32.34 O ATOM 0 H GLU B 63 -8.461 14.963 -1.434 1.00 61.30 H new ATOM 0 HA GLU B 63 -7.826 12.182 -0.741 1.00 42.14 H new ATOM 0 HB2 GLU B 63 -8.869 13.461 -3.327 1.00 33.33 H new ATOM 0 HB3 GLU B 63 -8.602 11.741 -3.125 1.00 33.33 H new ATOM 0 HG2 GLU B 63 -10.280 11.838 -1.170 1.00 14.24 H new ATOM 0 HG3 GLU B 63 -10.660 13.468 -1.689 1.00 14.24 H new ATOM 2268 N ILE B 64 -6.010 11.663 -2.578 1.00 71.03 N ATOM 2269 CA ILE B 64 -4.685 11.359 -3.155 1.00 2.10 C ATOM 2270 C ILE B 64 -4.603 11.760 -4.656 1.00 35.14 C ATOM 2271 O ILE B 64 -5.442 11.364 -5.470 1.00 42.04 O ATOM 2272 CB ILE B 64 -4.344 9.825 -2.983 1.00 65.04 C ATOM 2273 CG1 ILE B 64 -4.355 9.420 -1.470 1.00 70.05 C ATOM 2274 CG2 ILE B 64 -2.989 9.457 -3.641 1.00 3.41 C ATOM 2275 CD1 ILE B 64 -4.056 7.950 -1.193 1.00 33.13 C ATOM 0 H ILE B 64 -6.627 10.852 -2.536 1.00 71.03 H new ATOM 0 HA ILE B 64 -3.950 11.952 -2.611 1.00 2.10 H new ATOM 0 HB ILE B 64 -5.120 9.259 -3.499 1.00 65.04 H new ATOM 0 HG12 ILE B 64 -3.623 10.030 -0.941 1.00 70.05 H new ATOM 0 HG13 ILE B 64 -5.332 9.661 -1.052 1.00 70.05 H new ATOM 0 HG21 ILE B 64 -2.793 8.394 -3.500 1.00 3.41 H new ATOM 0 HG22 ILE B 64 -3.030 9.680 -4.707 1.00 3.41 H new ATOM 0 HG23 ILE B 64 -2.191 10.038 -3.179 1.00 3.41 H new ATOM 0 HD11 ILE B 64 -4.087 7.769 -0.119 1.00 33.13 H new ATOM 0 HD12 ILE B 64 -4.802 7.328 -1.688 1.00 33.13 H new ATOM 0 HD13 ILE B 64 -3.066 7.702 -1.575 1.00 33.13 H new ATOM 2287 N PHE B 65 -3.567 12.544 -4.977 1.00 34.52 N ATOM 2288 CA PHE B 65 -3.190 12.937 -6.348 1.00 71.21 C ATOM 2289 C PHE B 65 -1.705 12.580 -6.550 1.00 14.32 C ATOM 2290 O PHE B 65 -0.834 13.176 -5.911 1.00 54.04 O ATOM 2291 CB PHE B 65 -3.423 14.462 -6.557 1.00 14.23 C ATOM 2292 CG PHE B 65 -2.872 15.041 -7.872 1.00 14.43 C ATOM 2293 CD1 PHE B 65 -3.571 14.904 -9.070 1.00 4.25 C ATOM 2294 CD2 PHE B 65 -1.643 15.711 -7.907 1.00 74.51 C ATOM 2295 CE1 PHE B 65 -3.072 15.424 -10.250 1.00 12.14 C ATOM 2296 CE2 PHE B 65 -1.144 16.228 -9.089 1.00 11.43 C ATOM 2297 CZ PHE B 65 -1.856 16.080 -10.261 1.00 20.20 C ATOM 0 H PHE B 65 -2.946 12.937 -4.270 1.00 34.52 H new ATOM 0 HA PHE B 65 -3.804 12.408 -7.077 1.00 71.21 H new ATOM 0 HB2 PHE B 65 -4.494 14.657 -6.515 1.00 14.23 H new ATOM 0 HB3 PHE B 65 -2.968 14.999 -5.725 1.00 14.23 H new ATOM 0 HD1 PHE B 65 -4.517 14.383 -9.077 1.00 4.25 H new ATOM 0 HD2 PHE B 65 -1.075 15.826 -6.996 1.00 74.51 H new ATOM 0 HE1 PHE B 65 -3.634 15.317 -11.166 1.00 12.14 H new ATOM 0 HE2 PHE B 65 -0.197 16.747 -9.094 1.00 11.43 H new ATOM 0 HZ PHE B 65 -1.464 16.476 -11.186 1.00 20.20 H new ATOM 2307 N VAL B 66 -1.415 11.592 -7.403 1.00 24.45 N ATOM 2308 CA VAL B 66 -0.024 11.167 -7.679 1.00 1.23 C ATOM 2309 C VAL B 66 0.379 11.511 -9.123 1.00 21.50 C ATOM 2310 O VAL B 66 -0.475 11.614 -10.012 1.00 71.53 O ATOM 2311 CB VAL B 66 0.196 9.636 -7.384 1.00 11.24 C ATOM 2312 CG1 VAL B 66 -0.032 9.337 -5.885 1.00 71.12 C ATOM 2313 CG2 VAL B 66 -0.704 8.744 -8.265 1.00 3.25 C ATOM 0 H VAL B 66 -2.121 11.066 -7.919 1.00 24.45 H new ATOM 0 HA VAL B 66 0.623 11.722 -7.000 1.00 1.23 H new ATOM 0 HB VAL B 66 1.229 9.398 -7.635 1.00 11.24 H new ATOM 0 HG11 VAL B 66 0.124 8.275 -5.698 1.00 71.12 H new ATOM 0 HG12 VAL B 66 0.671 9.918 -5.287 1.00 71.12 H new ATOM 0 HG13 VAL B 66 -1.052 9.608 -5.611 1.00 71.12 H new ATOM 0 HG21 VAL B 66 -0.520 7.696 -8.029 1.00 3.25 H new ATOM 0 HG22 VAL B 66 -1.751 8.981 -8.073 1.00 3.25 H new ATOM 0 HG23 VAL B 66 -0.478 8.924 -9.316 1.00 3.25 H new ATOM 2323 N LYS B 67 1.692 11.700 -9.341 1.00 3.31 N ATOM 2324 CA LYS B 67 2.240 12.076 -10.662 1.00 53.11 C ATOM 2325 C LYS B 67 3.669 11.548 -10.845 1.00 73.03 C ATOM 2326 O LYS B 67 4.405 11.383 -9.868 1.00 13.01 O ATOM 2327 CB LYS B 67 2.187 13.615 -10.855 1.00 24.01 C ATOM 2328 CG LYS B 67 2.830 14.455 -9.734 1.00 21.00 C ATOM 2329 CD LYS B 67 2.687 15.973 -9.992 1.00 72.44 C ATOM 2330 CE LYS B 67 3.286 16.827 -8.864 1.00 4.34 C ATOM 2331 NZ LYS B 67 4.743 16.576 -8.673 1.00 50.14 N ATOM 0 H LYS B 67 2.401 11.598 -8.615 1.00 3.31 H new ATOM 0 HA LYS B 67 1.619 11.612 -11.428 1.00 53.11 H new ATOM 0 HB2 LYS B 67 2.680 13.861 -11.796 1.00 24.01 H new ATOM 0 HB3 LYS B 67 1.143 13.914 -10.954 1.00 24.01 H new ATOM 0 HG2 LYS B 67 2.365 14.204 -8.781 1.00 21.00 H new ATOM 0 HG3 LYS B 67 3.886 14.200 -9.650 1.00 21.00 H new ATOM 0 HD2 LYS B 67 3.178 16.225 -10.932 1.00 72.44 H new ATOM 0 HD3 LYS B 67 1.632 16.220 -10.107 1.00 72.44 H new ATOM 0 HE2 LYS B 67 3.128 17.882 -9.088 1.00 4.34 H new ATOM 0 HE3 LYS B 67 2.759 16.616 -7.934 1.00 4.34 H new ATOM 0 HZ1 LYS B 67 4.896 16.092 -7.765 1.00 50.14 H new ATOM 0 HZ2 LYS B 67 5.097 15.979 -9.447 1.00 50.14 H new ATOM 0 HZ3 LYS B 67 5.254 17.482 -8.673 1.00 50.14 H new ATOM 2345 N LEU B 68 4.051 11.303 -12.109 1.00 30.44 N ATOM 2346 CA LEU B 68 5.355 10.701 -12.443 1.00 32.51 C ATOM 2347 C LEU B 68 6.518 11.673 -12.151 1.00 41.13 C ATOM 2348 O LEU B 68 6.483 12.839 -12.572 1.00 4.22 O ATOM 2349 CB LEU B 68 5.402 10.267 -13.934 1.00 33.11 C ATOM 2350 CG LEU B 68 4.246 9.341 -14.429 1.00 45.40 C ATOM 2351 CD1 LEU B 68 4.516 8.839 -15.857 1.00 52.45 C ATOM 2352 CD2 LEU B 68 3.992 8.166 -13.461 1.00 1.34 C ATOM 0 H LEU B 68 3.472 11.514 -12.922 1.00 30.44 H new ATOM 0 HA LEU B 68 5.472 9.820 -11.811 1.00 32.51 H new ATOM 0 HB2 LEU B 68 5.406 11.166 -14.551 1.00 33.11 H new ATOM 0 HB3 LEU B 68 6.348 9.755 -14.110 1.00 33.11 H new ATOM 0 HG LEU B 68 3.336 9.940 -14.448 1.00 45.40 H new ATOM 0 HD11 LEU B 68 3.696 8.196 -16.178 1.00 52.45 H new ATOM 0 HD12 LEU B 68 4.596 9.690 -16.533 1.00 52.45 H new ATOM 0 HD13 LEU B 68 5.448 8.274 -15.874 1.00 52.45 H new ATOM 0 HD21 LEU B 68 3.180 7.548 -13.844 1.00 1.34 H new ATOM 0 HD22 LEU B 68 4.897 7.564 -13.374 1.00 1.34 H new ATOM 0 HD23 LEU B 68 3.720 8.555 -12.480 1.00 1.34 H new ATOM 2364 N VAL B 69 7.532 11.185 -11.418 1.00 13.41 N ATOM 2365 CA VAL B 69 8.790 11.924 -11.215 1.00 54.52 C ATOM 2366 C VAL B 69 9.626 11.877 -12.518 1.00 5.12 C ATOM 2367 O VAL B 69 10.319 10.884 -12.794 1.00 20.03 O ATOM 2368 CB VAL B 69 9.634 11.357 -10.006 1.00 15.23 C ATOM 2369 CG1 VAL B 69 10.925 12.188 -9.771 1.00 22.25 C ATOM 2370 CG2 VAL B 69 8.788 11.291 -8.714 1.00 63.31 C ATOM 0 H VAL B 69 7.505 10.277 -10.954 1.00 13.41 H new ATOM 0 HA VAL B 69 8.535 12.955 -10.968 1.00 54.52 H new ATOM 0 HB VAL B 69 9.932 10.343 -10.270 1.00 15.23 H new ATOM 0 HG11 VAL B 69 11.480 11.769 -8.932 1.00 22.25 H new ATOM 0 HG12 VAL B 69 11.545 12.158 -10.667 1.00 22.25 H new ATOM 0 HG13 VAL B 69 10.657 13.221 -9.549 1.00 22.25 H new ATOM 0 HG21 VAL B 69 9.397 10.897 -7.900 1.00 63.31 H new ATOM 0 HG22 VAL B 69 8.440 12.291 -8.455 1.00 63.31 H new ATOM 0 HG23 VAL B 69 7.930 10.638 -8.874 1.00 63.31 H new ATOM 2380 N LEU B 70 9.476 12.925 -13.345 1.00 24.35 N ATOM 2381 CA LEU B 70 10.283 13.112 -14.568 1.00 31.43 C ATOM 2382 C LEU B 70 11.767 13.344 -14.189 1.00 32.22 C ATOM 2383 O LEU B 70 12.676 12.723 -14.754 1.00 41.45 O ATOM 2384 CB LEU B 70 9.725 14.302 -15.402 1.00 51.10 C ATOM 2385 CG LEU B 70 8.253 14.152 -15.917 1.00 31.55 C ATOM 2386 CD1 LEU B 70 7.786 15.423 -16.669 1.00 14.51 C ATOM 2387 CD2 LEU B 70 8.096 12.882 -16.791 1.00 74.23 C ATOM 0 H LEU B 70 8.794 13.667 -13.187 1.00 24.35 H new ATOM 0 HA LEU B 70 10.222 12.213 -15.181 1.00 31.43 H new ATOM 0 HB2 LEU B 70 9.786 15.205 -14.795 1.00 51.10 H new ATOM 0 HB3 LEU B 70 10.376 14.453 -16.263 1.00 51.10 H new ATOM 0 HG LEU B 70 7.606 14.035 -15.048 1.00 31.55 H new ATOM 0 HD11 LEU B 70 6.761 15.286 -17.013 1.00 14.51 H new ATOM 0 HD12 LEU B 70 7.832 16.280 -15.998 1.00 14.51 H new ATOM 0 HD13 LEU B 70 8.436 15.598 -17.526 1.00 14.51 H new ATOM 0 HD21 LEU B 70 7.065 12.802 -17.135 1.00 74.23 H new ATOM 0 HD22 LEU B 70 8.762 12.948 -17.652 1.00 74.23 H new ATOM 0 HD23 LEU B 70 8.351 12.001 -16.202 1.00 74.23 H new ATOM 2399 N GLU B 71 11.976 14.217 -13.187 1.00 51.12 N ATOM 2400 CA GLU B 71 13.306 14.498 -12.603 1.00 12.33 C ATOM 2401 C GLU B 71 13.109 15.198 -11.229 1.00 11.10 C ATOM 2402 O GLU B 71 12.160 15.978 -11.055 1.00 14.12 O ATOM 2403 CB GLU B 71 14.171 15.369 -13.586 1.00 12.22 C ATOM 2404 CG GLU B 71 15.694 15.068 -13.585 1.00 11.33 C ATOM 2405 CD GLU B 71 16.416 15.416 -12.269 1.00 73.11 C ATOM 2406 OE1 GLU B 71 16.730 16.602 -12.051 1.00 2.34 O ATOM 2407 OE2 GLU B 71 16.664 14.506 -11.442 1.00 42.43 O ATOM 0 H GLU B 71 11.223 14.753 -12.755 1.00 51.12 H new ATOM 0 HA GLU B 71 13.850 13.566 -12.447 1.00 12.33 H new ATOM 0 HB2 GLU B 71 13.792 15.228 -14.598 1.00 12.22 H new ATOM 0 HB3 GLU B 71 14.026 16.420 -13.335 1.00 12.22 H new ATOM 0 HG2 GLU B 71 15.842 14.009 -13.796 1.00 11.33 H new ATOM 0 HG3 GLU B 71 16.161 15.623 -14.398 1.00 11.33 H new ATOM 2414 N HIS B 72 13.993 14.885 -10.257 1.00 5.15 N ATOM 2415 CA HIS B 72 13.922 15.441 -8.883 1.00 1.04 C ATOM 2416 C HIS B 72 14.310 16.939 -8.854 1.00 11.25 C ATOM 2417 O HIS B 72 13.421 17.790 -8.829 1.00 61.15 O ATOM 2418 CB HIS B 72 14.820 14.634 -7.908 1.00 44.43 C ATOM 2419 CG HIS B 72 14.435 13.194 -7.782 1.00 23.13 C ATOM 2420 ND1 HIS B 72 15.075 12.172 -8.451 1.00 34.42 N ATOM 2421 CD2 HIS B 72 13.456 12.610 -7.053 1.00 1.42 C ATOM 2422 CE1 HIS B 72 14.504 11.032 -8.144 1.00 10.34 C ATOM 2423 NE2 HIS B 72 13.521 11.269 -7.297 1.00 50.14 N ATOM 0 H HIS B 72 14.773 14.243 -10.399 1.00 5.15 H new ATOM 0 HA HIS B 72 12.887 15.355 -8.554 1.00 1.04 H new ATOM 0 HB2 HIS B 72 15.854 14.695 -8.247 1.00 44.43 H new ATOM 0 HB3 HIS B 72 14.779 15.099 -6.923 1.00 44.43 H new ATOM 0 HD2 HIS B 72 12.755 13.111 -6.401 1.00 1.42 H new ATOM 0 HE1 HIS B 72 14.791 10.062 -8.521 1.00 10.34 H new ATOM 0 HE2 HIS B 72 12.908 10.563 -6.890 1.00 50.14 H new ATOM 2432 N HIS B 73 15.642 17.224 -8.935 1.00 62.11 N ATOM 2433 CA HIS B 73 16.272 18.578 -8.770 1.00 24.44 C ATOM 2434 C HIS B 73 15.631 19.487 -7.666 1.00 54.24 C ATOM 2435 O HIS B 73 14.468 19.894 -7.762 1.00 74.51 O ATOM 2436 CB HIS B 73 16.393 19.339 -10.133 1.00 1.03 C ATOM 2437 CG HIS B 73 15.087 19.654 -10.827 1.00 22.03 C ATOM 2438 ND1 HIS B 73 14.341 20.784 -10.550 1.00 63.14 N ATOM 2439 CD2 HIS B 73 14.380 18.975 -11.768 1.00 0.10 C ATOM 2440 CE1 HIS B 73 13.248 20.779 -11.279 1.00 54.25 C ATOM 2441 NE2 HIS B 73 13.243 19.697 -12.023 1.00 33.33 N ATOM 0 H HIS B 73 16.333 16.498 -9.123 1.00 62.11 H new ATOM 0 HA HIS B 73 17.274 18.358 -8.402 1.00 24.44 H new ATOM 0 HB2 HIS B 73 16.926 20.274 -9.960 1.00 1.03 H new ATOM 0 HB3 HIS B 73 17.007 18.742 -10.808 1.00 1.03 H new ATOM 0 HD2 HIS B 73 14.662 18.040 -12.229 1.00 0.10 H new ATOM 0 HE1 HIS B 73 12.481 21.539 -11.268 1.00 54.25 H new ATOM 0 HE2 HIS B 73 12.511 19.436 -12.684 1.00 33.33 H new ATOM 2450 N HIS B 74 16.420 19.832 -6.629 1.00 12.42 N ATOM 2451 CA HIS B 74 15.984 20.789 -5.575 1.00 55.21 C ATOM 2452 C HIS B 74 15.716 22.194 -6.205 1.00 62.01 C ATOM 2453 O HIS B 74 16.333 22.536 -7.218 1.00 60.33 O ATOM 2454 CB HIS B 74 17.053 20.858 -4.440 1.00 4.44 C ATOM 2455 CG HIS B 74 16.551 21.432 -3.135 1.00 44.31 C ATOM 2456 ND1 HIS B 74 17.282 22.298 -2.348 1.00 63.34 N ATOM 2457 CD2 HIS B 74 15.395 21.211 -2.459 1.00 11.01 C ATOM 2458 CE1 HIS B 74 16.601 22.577 -1.252 1.00 65.52 C ATOM 2459 NE2 HIS B 74 15.457 21.931 -1.296 1.00 3.31 N ATOM 0 H HIS B 74 17.362 19.466 -6.493 1.00 12.42 H new ATOM 0 HA HIS B 74 15.051 20.441 -5.131 1.00 55.21 H new ATOM 0 HB2 HIS B 74 17.434 19.853 -4.257 1.00 4.44 H new ATOM 0 HB3 HIS B 74 17.893 21.460 -4.787 1.00 4.44 H new ATOM 0 HD2 HIS B 74 14.577 20.583 -2.779 1.00 11.01 H new ATOM 0 HE1 HIS B 74 16.929 23.227 -0.454 1.00 65.52 H new ATOM 0 HE2 HIS B 74 14.732 21.961 -0.579 1.00 3.31 H new ATOM 2468 N HIS B 75 14.802 22.980 -5.585 1.00 63.44 N ATOM 2469 CA HIS B 75 14.200 24.219 -6.169 1.00 74.34 C ATOM 2470 C HIS B 75 13.218 23.866 -7.319 1.00 63.10 C ATOM 2471 O HIS B 75 13.621 23.335 -8.361 1.00 41.14 O ATOM 2472 CB HIS B 75 15.250 25.259 -6.671 1.00 3.34 C ATOM 2473 CG HIS B 75 16.147 25.826 -5.603 1.00 53.45 C ATOM 2474 ND1 HIS B 75 16.119 27.151 -5.218 1.00 31.40 N ATOM 2475 CD2 HIS B 75 17.134 25.255 -4.870 1.00 63.12 C ATOM 2476 CE1 HIS B 75 17.037 27.366 -4.302 1.00 42.42 C ATOM 2477 NE2 HIS B 75 17.667 26.236 -4.077 1.00 71.33 N ATOM 0 H HIS B 75 14.452 22.773 -4.649 1.00 63.44 H new ATOM 0 HA HIS B 75 13.660 24.694 -5.350 1.00 74.34 H new ATOM 0 HB2 HIS B 75 15.871 24.787 -7.432 1.00 3.34 H new ATOM 0 HB3 HIS B 75 14.722 26.081 -7.155 1.00 3.34 H new ATOM 0 HD2 HIS B 75 17.442 24.220 -4.905 1.00 63.12 H new ATOM 0 HE1 HIS B 75 17.239 28.310 -3.818 1.00 42.42 H new ATOM 0 HE2 HIS B 75 18.433 26.109 -3.416 1.00 71.33 H new ATOM 2486 N HIS B 76 11.915 24.143 -7.105 1.00 62.40 N ATOM 2487 CA HIS B 76 10.850 23.916 -8.119 1.00 20.35 C ATOM 2488 C HIS B 76 10.092 25.232 -8.427 1.00 70.42 C ATOM 2489 O HIS B 76 9.876 26.058 -7.534 1.00 25.13 O ATOM 2490 CB HIS B 76 9.853 22.833 -7.633 1.00 43.04 C ATOM 2491 CG HIS B 76 10.481 21.489 -7.343 1.00 63.34 C ATOM 2492 ND1 HIS B 76 10.337 20.827 -6.140 1.00 70.22 N ATOM 2493 CD2 HIS B 76 11.254 20.683 -8.114 1.00 2.11 C ATOM 2494 CE1 HIS B 76 10.995 19.685 -6.184 1.00 64.13 C ATOM 2495 NE2 HIS B 76 11.561 19.571 -7.366 1.00 72.32 N ATOM 0 H HIS B 76 11.566 24.530 -6.228 1.00 62.40 H new ATOM 0 HA HIS B 76 11.329 23.568 -9.034 1.00 20.35 H new ATOM 0 HB2 HIS B 76 9.358 23.191 -6.730 1.00 43.04 H new ATOM 0 HB3 HIS B 76 9.080 22.703 -8.390 1.00 43.04 H new ATOM 0 HD2 HIS B 76 11.570 20.879 -9.128 1.00 2.11 H new ATOM 0 HE1 HIS B 76 11.059 18.963 -5.383 1.00 64.13 H new ATOM 0 HE2 HIS B 76 12.134 18.786 -7.677 1.00 72.32 H new ATOM 2504 N HIS B 77 9.680 25.408 -9.697 1.00 42.51 N ATOM 2505 CA HIS B 77 8.966 26.623 -10.161 1.00 22.24 C ATOM 2506 C HIS B 77 7.441 26.392 -10.126 1.00 51.03 C ATOM 2507 O HIS B 77 6.894 25.597 -10.900 1.00 45.10 O ATOM 2508 CB HIS B 77 9.453 26.990 -11.594 1.00 33.00 C ATOM 2509 CG HIS B 77 9.032 28.355 -12.104 1.00 42.33 C ATOM 2510 ND1 HIS B 77 9.908 29.416 -12.224 1.00 23.41 N ATOM 2511 CD2 HIS B 77 7.839 28.817 -12.561 1.00 25.43 C ATOM 2512 CE1 HIS B 77 9.278 30.459 -12.729 1.00 42.11 C ATOM 2513 NE2 HIS B 77 8.026 30.123 -12.940 1.00 2.14 N ATOM 0 H HIS B 77 9.830 24.717 -10.432 1.00 42.51 H new ATOM 0 HA HIS B 77 9.187 27.457 -9.495 1.00 22.24 H new ATOM 0 HB2 HIS B 77 10.541 26.936 -11.613 1.00 33.00 H new ATOM 0 HB3 HIS B 77 9.084 26.234 -12.287 1.00 33.00 H new ATOM 0 HD2 HIS B 77 6.915 28.260 -12.616 1.00 25.43 H new ATOM 0 HE1 HIS B 77 9.717 31.424 -12.934 1.00 42.11 H new ATOM 0 HE2 HIS B 77 7.307 30.735 -13.325 1.00 2.14 H new TER 2522 HIS B 77