USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=35 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= -0.38 USER MOD Set 1.2: B 29 GLN : amide:sc= 0.135 K(o=-0.25,f=-5!) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc=-0.00965 USER MOD Set 2.2: A 29 GLN : amide:sc= 0.503 K(o=0.49,f=-3.1!) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0242 (180deg=-0.266) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.15 (180deg=0.304) USER MOD Single : A 2 LYS NZ :NH3+ 170:sc= -0.0247 (180deg=-0.155) USER MOD Single : A 3 MET CE :methyl -169:sc=-0.00577 (180deg=-0.156) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0.843 (180deg=0.82) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0.537 (180deg=0.51) USER MOD Single : A 14 GLN : amide:sc= -2.62! K(o=-2.6!,f=-0.079) USER MOD Single : A 20 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 22 THR OG1 : rot -39:sc= 0.531 USER MOD Single : A 27 GLN : amide:sc= 0.109 K(o=0.11,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 142:sc= 0.0703 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00178) USER MOD Single : A 34 THR OG1 : rot -65:sc= -0.0659 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0.691 (180deg=0.597) USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= 1.11 (180deg=-0.455) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= 1.14 (180deg=-1.03) USER MOD Single : A 57 THR OG1 : rot 37:sc= 0.0468 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= 0.545 (180deg=-0.094) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-1.6) USER MOD Single : A 74 HIS : no HD1:sc= -0.717 K(o=-0.72,f=-0.012) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc=-0.00861 X(o=-0.0086,f=-0.014) USER MOD Single : A 77 HIS : no HD1:sc= -0.501 X(o=-0.5,f=-0.17) USER MOD Single : B 1 MET CE :methyl -148:sc= 0 (180deg=-0.289) USER MOD Single : B 1 MET N :NH3+ -130:sc=-0.000907 (180deg=-0.0858) USER MOD Single : B 2 LYS NZ :NH3+ 163:sc= 0.925 (180deg=0.603) USER MOD Single : B 3 MET CE :methyl -112:sc= -1.6 (180deg=-2.86!) USER MOD Single : B 5 LYS NZ :NH3+ -123:sc= -0.185 (180deg=-0.186) USER MOD Single : B 7 LYS NZ :NH3+ -151:sc= 0.211 (180deg=-1.24!) USER MOD Single : B 14 GLN : amide:sc= -2.53! K(o=-2.5!,f=0) USER MOD Single : B 20 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0451) USER MOD Single : B 31 LYS NZ :NH3+ -176:sc= 0.239 (180deg=0.212) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot -77:sc= -0.137 USER MOD Single : B 35 LYS NZ :NH3+ -179:sc= 0.798 (180deg=0.793) USER MOD Single : B 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0316) USER MOD Single : B 40 LYS NZ :NH3+ -128:sc= 1.31 (180deg=-0.303) USER MOD Single : B 54 LYS NZ :NH3+ 145:sc= 1.24 (180deg=-0.442) USER MOD Single : B 57 THR OG1 : rot 26:sc= -0.0758 USER MOD Single : B 58 SER OG : rot -38:sc= 0.863 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 HIS : no HE2:sc= 0.014 X(o=0.014,f=-0.39) USER MOD Single : B 73 HIS : no HD1:sc= -0.0621 X(o=-0.062,f=-0.00092) USER MOD Single : B 74 HIS : no HD1:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : B 75 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.28) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.526 15.501 6.255 1.00 62.42 N ATOM 2 CA MET A 1 8.559 16.582 6.584 1.00 2.52 C ATOM 3 C MET A 1 7.099 16.140 6.256 1.00 2.44 C ATOM 4 O MET A 1 6.480 16.635 5.308 1.00 42.52 O ATOM 5 CB MET A 1 8.967 17.896 5.844 1.00 65.53 C ATOM 6 CG MET A 1 8.182 19.152 6.266 1.00 53.32 C ATOM 7 SD MET A 1 8.404 19.586 8.010 1.00 14.00 S ATOM 8 CE MET A 1 10.157 19.978 8.080 1.00 52.25 C ATOM 0 H1 MET A 1 10.392 15.919 5.859 1.00 62.42 H new ATOM 0 H2 MET A 1 9.761 14.971 7.118 1.00 62.42 H new ATOM 0 H3 MET A 1 9.102 14.857 5.557 1.00 62.42 H new ATOM 0 HA MET A 1 8.588 16.782 7.655 1.00 2.52 H new ATOM 0 HB2 MET A 1 10.029 18.076 6.013 1.00 65.53 H new ATOM 0 HB3 MET A 1 8.836 17.747 4.772 1.00 65.53 H new ATOM 0 HG2 MET A 1 8.496 19.993 5.647 1.00 53.32 H new ATOM 0 HG3 MET A 1 7.122 18.991 6.071 1.00 53.32 H new ATOM 0 HE1 MET A 1 10.381 20.477 9.023 1.00 52.25 H new ATOM 0 HE2 MET A 1 10.739 19.059 8.009 1.00 52.25 H new ATOM 0 HE3 MET A 1 10.416 20.636 7.251 1.00 52.25 H new ATOM 20 N LYS A 2 6.602 15.132 7.018 1.00 75.22 N ATOM 21 CA LYS A 2 5.172 14.676 7.017 1.00 24.43 C ATOM 22 C LYS A 2 4.593 14.319 5.609 1.00 54.10 C ATOM 23 O LYS A 2 3.387 14.464 5.373 1.00 43.31 O ATOM 24 CB LYS A 2 4.255 15.715 7.754 1.00 54.44 C ATOM 25 CG LYS A 2 4.351 15.722 9.307 1.00 24.51 C ATOM 26 CD LYS A 2 5.669 16.317 9.860 1.00 51.51 C ATOM 27 CE LYS A 2 5.834 17.816 9.544 1.00 33.34 C ATOM 28 NZ LYS A 2 4.694 18.628 10.053 1.00 13.44 N ATOM 0 H LYS A 2 7.186 14.600 7.663 1.00 75.22 H new ATOM 0 HA LYS A 2 5.174 13.734 7.566 1.00 24.43 H new ATOM 0 HB2 LYS A 2 4.502 16.712 7.389 1.00 54.44 H new ATOM 0 HB3 LYS A 2 3.220 15.520 7.474 1.00 54.44 H new ATOM 0 HG2 LYS A 2 3.512 16.291 9.709 1.00 24.51 H new ATOM 0 HG3 LYS A 2 4.247 14.700 9.671 1.00 24.51 H new ATOM 0 HD2 LYS A 2 5.700 16.174 10.940 1.00 51.51 H new ATOM 0 HD3 LYS A 2 6.512 15.768 9.441 1.00 51.51 H new ATOM 0 HE2 LYS A 2 6.762 18.179 9.986 1.00 33.34 H new ATOM 0 HE3 LYS A 2 5.921 17.951 8.466 1.00 33.34 H new ATOM 0 HZ1 LYS A 2 4.924 19.639 9.971 1.00 13.44 H new ATOM 0 HZ2 LYS A 2 3.842 18.420 9.494 1.00 13.44 H new ATOM 0 HZ3 LYS A 2 4.519 18.393 11.051 1.00 13.44 H new ATOM 42 N MET A 3 5.441 13.823 4.692 1.00 0.33 N ATOM 43 CA MET A 3 4.992 13.343 3.356 1.00 63.01 C ATOM 44 C MET A 3 4.275 11.969 3.452 1.00 72.24 C ATOM 45 O MET A 3 4.541 11.183 4.363 1.00 41.30 O ATOM 46 CB MET A 3 6.197 13.249 2.382 1.00 44.14 C ATOM 47 CG MET A 3 6.934 14.582 2.171 1.00 41.23 C ATOM 48 SD MET A 3 5.855 15.897 1.553 1.00 72.40 S ATOM 49 CE MET A 3 5.368 15.267 -0.055 1.00 10.00 C ATOM 0 H MET A 3 6.446 13.740 4.844 1.00 0.33 H new ATOM 0 HA MET A 3 4.275 14.068 2.970 1.00 63.01 H new ATOM 0 HB2 MET A 3 6.903 12.511 2.763 1.00 44.14 H new ATOM 0 HB3 MET A 3 5.844 12.884 1.418 1.00 44.14 H new ATOM 0 HG2 MET A 3 7.379 14.898 3.115 1.00 41.23 H new ATOM 0 HG3 MET A 3 7.753 14.431 1.467 1.00 41.23 H new ATOM 0 HE1 MET A 3 4.868 16.055 -0.618 1.00 10.00 H new ATOM 0 HE2 MET A 3 6.253 14.937 -0.600 1.00 10.00 H new ATOM 0 HE3 MET A 3 4.687 14.426 0.075 1.00 10.00 H new ATOM 59 N LEU A 4 3.391 11.688 2.469 1.00 54.05 N ATOM 60 CA LEU A 4 2.591 10.434 2.408 1.00 21.23 C ATOM 61 C LEU A 4 3.489 9.166 2.313 1.00 51.45 C ATOM 62 O LEU A 4 3.140 8.100 2.836 1.00 23.14 O ATOM 63 CB LEU A 4 1.612 10.501 1.198 1.00 51.31 C ATOM 64 CG LEU A 4 0.575 9.334 1.066 1.00 21.44 C ATOM 65 CD1 LEU A 4 -0.354 9.254 2.301 1.00 23.12 C ATOM 66 CD2 LEU A 4 -0.238 9.458 -0.246 1.00 34.53 C ATOM 0 H LEU A 4 3.208 12.323 1.692 1.00 54.05 H new ATOM 0 HA LEU A 4 2.025 10.352 3.336 1.00 21.23 H new ATOM 0 HB2 LEU A 4 1.062 11.440 1.257 1.00 51.31 H new ATOM 0 HB3 LEU A 4 2.204 10.535 0.283 1.00 51.31 H new ATOM 0 HG LEU A 4 1.135 8.400 1.024 1.00 21.44 H new ATOM 0 HD11 LEU A 4 -1.059 8.433 2.173 1.00 23.12 H new ATOM 0 HD12 LEU A 4 0.244 9.082 3.196 1.00 23.12 H new ATOM 0 HD13 LEU A 4 -0.902 10.190 2.405 1.00 23.12 H new ATOM 0 HD21 LEU A 4 -0.950 8.635 -0.312 1.00 34.53 H new ATOM 0 HD22 LEU A 4 -0.777 10.406 -0.252 1.00 34.53 H new ATOM 0 HD23 LEU A 4 0.440 9.420 -1.099 1.00 34.53 H new ATOM 78 N LYS A 5 4.655 9.311 1.661 1.00 11.55 N ATOM 79 CA LYS A 5 5.623 8.211 1.478 1.00 4.53 C ATOM 80 C LYS A 5 6.375 7.884 2.805 1.00 72.05 C ATOM 81 O LYS A 5 6.507 6.723 3.179 1.00 34.13 O ATOM 82 CB LYS A 5 6.629 8.593 0.356 1.00 53.55 C ATOM 83 CG LYS A 5 7.544 7.445 -0.127 1.00 32.45 C ATOM 84 CD LYS A 5 8.580 7.916 -1.176 1.00 64.14 C ATOM 85 CE LYS A 5 9.425 6.769 -1.753 1.00 12.04 C ATOM 86 NZ LYS A 5 10.455 7.281 -2.694 1.00 20.04 N ATOM 0 H LYS A 5 4.955 10.193 1.245 1.00 11.55 H new ATOM 0 HA LYS A 5 5.078 7.313 1.187 1.00 4.53 H new ATOM 0 HB2 LYS A 5 6.069 8.973 -0.498 1.00 53.55 H new ATOM 0 HB3 LYS A 5 7.256 9.409 0.715 1.00 53.55 H new ATOM 0 HG2 LYS A 5 8.066 7.016 0.728 1.00 32.45 H new ATOM 0 HG3 LYS A 5 6.931 6.652 -0.556 1.00 32.45 H new ATOM 0 HD2 LYS A 5 8.059 8.420 -1.990 1.00 64.14 H new ATOM 0 HD3 LYS A 5 9.242 8.651 -0.718 1.00 64.14 H new ATOM 0 HE2 LYS A 5 9.908 6.226 -0.941 1.00 12.04 H new ATOM 0 HE3 LYS A 5 8.777 6.061 -2.269 1.00 12.04 H new ATOM 0 HZ1 LYS A 5 10.954 6.480 -3.132 1.00 20.04 H new ATOM 0 HZ2 LYS A 5 9.997 7.850 -3.434 1.00 20.04 H new ATOM 0 HZ3 LYS A 5 11.136 7.871 -2.175 1.00 20.04 H new ATOM 100 N GLU A 6 6.843 8.930 3.522 1.00 51.05 N ATOM 101 CA GLU A 6 7.681 8.760 4.747 1.00 5.12 C ATOM 102 C GLU A 6 6.844 8.320 5.976 1.00 4.41 C ATOM 103 O GLU A 6 7.358 7.605 6.848 1.00 53.40 O ATOM 104 CB GLU A 6 8.457 10.065 5.070 1.00 41.01 C ATOM 105 CG GLU A 6 7.560 11.248 5.462 1.00 72.10 C ATOM 106 CD GLU A 6 8.335 12.527 5.784 1.00 30.14 C ATOM 107 OE1 GLU A 6 8.680 13.273 4.844 1.00 22.33 O ATOM 108 OE2 GLU A 6 8.585 12.809 6.975 1.00 62.35 O ATOM 0 H GLU A 6 6.659 9.904 3.280 1.00 51.05 H new ATOM 0 HA GLU A 6 8.394 7.964 4.533 1.00 5.12 H new ATOM 0 HB2 GLU A 6 9.155 9.868 5.883 1.00 41.01 H new ATOM 0 HB3 GLU A 6 9.051 10.346 4.201 1.00 41.01 H new ATOM 0 HG2 GLU A 6 6.864 11.451 4.648 1.00 72.10 H new ATOM 0 HG3 GLU A 6 6.962 10.968 6.329 1.00 72.10 H new ATOM 115 N LYS A 7 5.561 8.761 6.055 1.00 34.05 N ATOM 116 CA LYS A 7 4.638 8.331 7.140 1.00 74.40 C ATOM 117 C LYS A 7 4.319 6.824 7.022 1.00 63.41 C ATOM 118 O LYS A 7 4.050 6.158 8.021 1.00 25.25 O ATOM 119 CB LYS A 7 3.342 9.218 7.183 1.00 11.14 C ATOM 120 CG LYS A 7 2.426 9.209 5.923 1.00 45.22 C ATOM 121 CD LYS A 7 1.394 8.049 5.871 1.00 13.31 C ATOM 122 CE LYS A 7 0.368 8.096 7.023 1.00 63.11 C ATOM 123 NZ LYS A 7 -0.627 6.991 6.940 1.00 20.52 N ATOM 0 H LYS A 7 5.144 9.409 5.386 1.00 34.05 H new ATOM 0 HA LYS A 7 5.142 8.481 8.095 1.00 74.40 H new ATOM 0 HB2 LYS A 7 2.744 8.899 8.037 1.00 11.14 H new ATOM 0 HB3 LYS A 7 3.645 10.248 7.372 1.00 11.14 H new ATOM 0 HG2 LYS A 7 1.888 10.156 5.876 1.00 45.22 H new ATOM 0 HG3 LYS A 7 3.056 9.156 5.035 1.00 45.22 H new ATOM 0 HD2 LYS A 7 0.864 8.085 4.919 1.00 13.31 H new ATOM 0 HD3 LYS A 7 1.925 7.097 5.904 1.00 13.31 H new ATOM 0 HE2 LYS A 7 0.893 8.038 7.977 1.00 63.11 H new ATOM 0 HE3 LYS A 7 -0.153 9.053 7.004 1.00 63.11 H new ATOM 0 HZ1 LYS A 7 -1.253 7.024 7.770 1.00 20.52 H new ATOM 0 HZ2 LYS A 7 -1.194 7.099 6.075 1.00 20.52 H new ATOM 0 HZ3 LYS A 7 -0.130 6.078 6.917 1.00 20.52 H new ATOM 137 N ALA A 8 4.370 6.302 5.777 1.00 30.51 N ATOM 138 CA ALA A 8 4.292 4.853 5.500 1.00 3.23 C ATOM 139 C ALA A 8 5.463 4.102 6.177 1.00 61.33 C ATOM 140 O ALA A 8 5.269 3.033 6.750 1.00 23.35 O ATOM 141 CB ALA A 8 4.289 4.610 3.984 1.00 62.13 C ATOM 0 H ALA A 8 4.466 6.873 4.938 1.00 30.51 H new ATOM 0 HA ALA A 8 3.363 4.465 5.917 1.00 3.23 H new ATOM 0 HB1 ALA A 8 4.231 3.539 3.787 1.00 62.13 H new ATOM 0 HB2 ALA A 8 3.428 5.108 3.537 1.00 62.13 H new ATOM 0 HB3 ALA A 8 5.205 5.010 3.550 1.00 62.13 H new ATOM 147 N GLY A 9 6.667 4.714 6.123 1.00 72.05 N ATOM 148 CA GLY A 9 7.863 4.184 6.796 1.00 1.20 C ATOM 149 C GLY A 9 7.823 4.297 8.334 1.00 11.50 C ATOM 150 O GLY A 9 8.332 3.418 9.043 1.00 60.23 O ATOM 0 H GLY A 9 6.831 5.583 5.614 1.00 72.05 H new ATOM 0 HA2 GLY A 9 7.986 3.136 6.523 1.00 1.20 H new ATOM 0 HA3 GLY A 9 8.740 4.715 6.426 1.00 1.20 H new ATOM 154 N ALA A 10 7.229 5.392 8.843 1.00 64.23 N ATOM 155 CA ALA A 10 7.054 5.621 10.301 1.00 51.11 C ATOM 156 C ALA A 10 6.139 4.542 10.944 1.00 20.31 C ATOM 157 O ALA A 10 6.460 3.971 11.997 1.00 74.23 O ATOM 158 CB ALA A 10 6.480 7.028 10.545 1.00 5.31 C ATOM 0 H ALA A 10 6.856 6.144 8.263 1.00 64.23 H new ATOM 0 HA ALA A 10 8.033 5.545 10.775 1.00 51.11 H new ATOM 0 HB1 ALA A 10 6.354 7.189 11.616 1.00 5.31 H new ATOM 0 HB2 ALA A 10 7.165 7.775 10.144 1.00 5.31 H new ATOM 0 HB3 ALA A 10 5.514 7.118 10.049 1.00 5.31 H new ATOM 164 N LEU A 11 5.005 4.264 10.272 1.00 52.42 N ATOM 165 CA LEU A 11 4.035 3.220 10.691 1.00 13.43 C ATOM 166 C LEU A 11 4.595 1.805 10.433 1.00 51.44 C ATOM 167 O LEU A 11 4.307 0.870 11.185 1.00 30.34 O ATOM 168 CB LEU A 11 2.700 3.425 9.935 1.00 44.52 C ATOM 169 CG LEU A 11 2.056 4.836 10.105 1.00 72.45 C ATOM 170 CD1 LEU A 11 0.811 4.986 9.226 1.00 24.50 C ATOM 171 CD2 LEU A 11 1.752 5.150 11.585 1.00 24.44 C ATOM 0 H LEU A 11 4.731 4.755 9.421 1.00 52.42 H new ATOM 0 HA LEU A 11 3.860 3.313 11.763 1.00 13.43 H new ATOM 0 HB2 LEU A 11 2.870 3.245 8.873 1.00 44.52 H new ATOM 0 HB3 LEU A 11 1.988 2.674 10.276 1.00 44.52 H new ATOM 0 HG LEU A 11 2.785 5.572 9.768 1.00 72.45 H new ATOM 0 HD11 LEU A 11 0.384 5.979 9.366 1.00 24.50 H new ATOM 0 HD12 LEU A 11 1.086 4.853 8.180 1.00 24.50 H new ATOM 0 HD13 LEU A 11 0.075 4.232 9.506 1.00 24.50 H new ATOM 0 HD21 LEU A 11 1.304 6.141 11.662 1.00 24.44 H new ATOM 0 HD22 LEU A 11 1.059 4.407 11.980 1.00 24.44 H new ATOM 0 HD23 LEU A 11 2.678 5.124 12.160 1.00 24.44 H new ATOM 183 N ALA A 12 5.420 1.686 9.370 1.00 10.43 N ATOM 184 CA ALA A 12 6.115 0.430 8.991 1.00 74.40 C ATOM 185 C ALA A 12 6.954 -0.145 10.146 1.00 71.20 C ATOM 186 O ALA A 12 6.926 -1.352 10.409 1.00 24.03 O ATOM 187 CB ALA A 12 7.022 0.678 7.778 1.00 21.01 C ATOM 0 H ALA A 12 5.626 2.464 8.744 1.00 10.43 H new ATOM 0 HA ALA A 12 5.345 -0.301 8.743 1.00 74.40 H new ATOM 0 HB1 ALA A 12 7.528 -0.248 7.507 1.00 21.01 H new ATOM 0 HB2 ALA A 12 6.419 1.022 6.937 1.00 21.01 H new ATOM 0 HB3 ALA A 12 7.764 1.437 8.027 1.00 21.01 H new ATOM 193 N GLY A 13 7.703 0.751 10.817 1.00 3.12 N ATOM 194 CA GLY A 13 8.501 0.388 11.990 1.00 15.50 C ATOM 195 C GLY A 13 7.680 -0.277 13.104 1.00 35.53 C ATOM 196 O GLY A 13 8.041 -1.346 13.590 1.00 21.23 O ATOM 0 H GLY A 13 7.768 1.736 10.560 1.00 3.12 H new ATOM 0 HA2 GLY A 13 9.298 -0.289 11.683 1.00 15.50 H new ATOM 0 HA3 GLY A 13 8.979 1.284 12.386 1.00 15.50 H new ATOM 200 N GLN A 14 6.542 0.354 13.455 1.00 4.23 N ATOM 201 CA GLN A 14 5.620 -0.125 14.522 1.00 62.41 C ATOM 202 C GLN A 14 5.014 -1.517 14.193 1.00 44.45 C ATOM 203 O GLN A 14 4.946 -2.398 15.058 1.00 70.31 O ATOM 204 CB GLN A 14 4.478 0.906 14.735 1.00 73.11 C ATOM 205 CG GLN A 14 4.961 2.327 15.074 1.00 72.14 C ATOM 206 CD GLN A 14 3.809 3.306 15.287 1.00 0.54 C ATOM 207 OE1 GLN A 14 3.307 3.464 16.394 1.00 72.14 O ATOM 208 NE2 GLN A 14 3.375 3.957 14.231 1.00 51.43 N ATOM 0 H GLN A 14 6.229 1.216 13.008 1.00 4.23 H new ATOM 0 HA GLN A 14 6.205 -0.228 15.436 1.00 62.41 H new ATOM 0 HB2 GLN A 14 3.869 0.948 13.832 1.00 73.11 H new ATOM 0 HB3 GLN A 14 3.832 0.553 15.539 1.00 73.11 H new ATOM 0 HG2 GLN A 14 5.574 2.293 15.974 1.00 72.14 H new ATOM 0 HG3 GLN A 14 5.598 2.692 14.268 1.00 72.14 H new ATOM 0 HE21 GLN A 14 3.813 3.805 13.322 1.00 51.43 H new ATOM 0 HE22 GLN A 14 2.600 4.615 14.320 1.00 51.43 H new ATOM 217 N ILE A 15 4.583 -1.691 12.928 1.00 71.04 N ATOM 218 CA ILE A 15 4.004 -2.965 12.424 1.00 71.13 C ATOM 219 C ILE A 15 5.053 -4.110 12.447 1.00 14.33 C ATOM 220 O ILE A 15 4.757 -5.229 12.875 1.00 44.25 O ATOM 221 CB ILE A 15 3.424 -2.764 10.970 1.00 74.20 C ATOM 222 CG1 ILE A 15 2.301 -1.673 10.990 1.00 4.51 C ATOM 223 CG2 ILE A 15 2.903 -4.092 10.351 1.00 21.02 C ATOM 224 CD1 ILE A 15 1.769 -1.271 9.625 1.00 51.04 C ATOM 0 H ILE A 15 4.624 -0.956 12.222 1.00 71.04 H new ATOM 0 HA ILE A 15 3.189 -3.253 13.088 1.00 71.13 H new ATOM 0 HB ILE A 15 4.240 -2.425 10.331 1.00 74.20 H new ATOM 0 HG12 ILE A 15 1.470 -2.040 11.593 1.00 4.51 H new ATOM 0 HG13 ILE A 15 2.688 -0.784 11.488 1.00 4.51 H new ATOM 0 HG21 ILE A 15 2.515 -3.900 9.351 1.00 21.02 H new ATOM 0 HG22 ILE A 15 3.720 -4.811 10.291 1.00 21.02 H new ATOM 0 HG23 ILE A 15 2.108 -4.498 10.977 1.00 21.02 H new ATOM 0 HD11 ILE A 15 0.996 -0.512 9.745 1.00 51.04 H new ATOM 0 HD12 ILE A 15 2.583 -0.869 9.021 1.00 51.04 H new ATOM 0 HD13 ILE A 15 1.346 -2.144 9.128 1.00 51.04 H new ATOM 236 N TRP A 16 6.289 -3.787 12.020 1.00 43.33 N ATOM 237 CA TRP A 16 7.441 -4.716 12.054 1.00 23.45 C ATOM 238 C TRP A 16 7.723 -5.200 13.509 1.00 2.23 C ATOM 239 O TRP A 16 7.960 -6.387 13.747 1.00 44.04 O ATOM 240 CB TRP A 16 8.693 -3.999 11.462 1.00 71.13 C ATOM 241 CG TRP A 16 9.926 -4.873 11.341 1.00 60.31 C ATOM 242 CD1 TRP A 16 10.309 -5.595 10.251 1.00 2.23 C ATOM 243 CD2 TRP A 16 10.922 -5.123 12.353 1.00 32.22 C ATOM 244 NE1 TRP A 16 11.477 -6.261 10.515 1.00 64.13 N ATOM 245 CE2 TRP A 16 11.866 -5.993 11.800 1.00 43.31 C ATOM 246 CE3 TRP A 16 11.099 -4.686 13.672 1.00 11.32 C ATOM 247 CZ2 TRP A 16 12.972 -6.445 12.517 1.00 4.54 C ATOM 248 CZ3 TRP A 16 12.188 -5.133 14.385 1.00 73.15 C ATOM 249 CH2 TRP A 16 13.116 -6.004 13.807 1.00 51.21 C ATOM 0 H TRP A 16 6.520 -2.869 11.639 1.00 43.33 H new ATOM 0 HA TRP A 16 7.208 -5.595 11.453 1.00 23.45 H new ATOM 0 HB2 TRP A 16 8.440 -3.612 10.475 1.00 71.13 H new ATOM 0 HB3 TRP A 16 8.933 -3.140 12.089 1.00 71.13 H new ATOM 0 HD1 TRP A 16 9.771 -5.636 9.316 1.00 2.23 H new ATOM 0 HE1 TRP A 16 11.977 -6.861 9.859 1.00 64.13 H new ATOM 0 HE3 TRP A 16 10.390 -4.007 14.123 1.00 11.32 H new ATOM 0 HZ2 TRP A 16 13.690 -7.118 12.073 1.00 4.54 H new ATOM 0 HZ3 TRP A 16 12.327 -4.806 15.405 1.00 73.15 H new ATOM 0 HH2 TRP A 16 13.963 -6.336 14.388 1.00 51.21 H new ATOM 260 N GLU A 17 7.700 -4.241 14.461 1.00 50.25 N ATOM 261 CA GLU A 17 7.953 -4.499 15.905 1.00 32.22 C ATOM 262 C GLU A 17 6.836 -5.347 16.564 1.00 72.11 C ATOM 263 O GLU A 17 7.104 -6.112 17.498 1.00 33.32 O ATOM 264 CB GLU A 17 8.146 -3.153 16.657 1.00 22.33 C ATOM 265 CG GLU A 17 9.407 -2.381 16.227 1.00 73.43 C ATOM 266 CD GLU A 17 9.547 -1.020 16.922 1.00 71.34 C ATOM 267 OE1 GLU A 17 10.107 -0.965 18.033 1.00 51.22 O ATOM 268 OE2 GLU A 17 9.094 -0.001 16.366 1.00 71.44 O ATOM 0 H GLU A 17 7.505 -3.261 14.254 1.00 50.25 H new ATOM 0 HA GLU A 17 8.868 -5.087 15.978 1.00 32.22 H new ATOM 0 HB2 GLU A 17 7.271 -2.525 16.490 1.00 22.33 H new ATOM 0 HB3 GLU A 17 8.198 -3.349 17.728 1.00 22.33 H new ATOM 0 HG2 GLU A 17 10.287 -2.986 16.445 1.00 73.43 H new ATOM 0 HG3 GLU A 17 9.383 -2.230 15.148 1.00 73.43 H new ATOM 275 N ALA A 18 5.594 -5.215 16.058 1.00 5.44 N ATOM 276 CA ALA A 18 4.452 -6.068 16.480 1.00 44.22 C ATOM 277 C ALA A 18 4.660 -7.536 16.015 1.00 45.51 C ATOM 278 O ALA A 18 4.300 -8.486 16.714 1.00 64.24 O ATOM 279 CB ALA A 18 3.131 -5.505 15.916 1.00 31.43 C ATOM 0 H ALA A 18 5.349 -4.522 15.351 1.00 5.44 H new ATOM 0 HA ALA A 18 4.399 -6.061 17.569 1.00 44.22 H new ATOM 0 HB1 ALA A 18 2.302 -6.138 16.232 1.00 31.43 H new ATOM 0 HB2 ALA A 18 2.978 -4.493 16.290 1.00 31.43 H new ATOM 0 HB3 ALA A 18 3.179 -5.486 14.827 1.00 31.43 H new ATOM 285 N LEU A 19 5.259 -7.684 14.819 1.00 2.31 N ATOM 286 CA LEU A 19 5.571 -9.000 14.196 1.00 73.12 C ATOM 287 C LEU A 19 6.886 -9.606 14.751 1.00 42.13 C ATOM 288 O LEU A 19 7.117 -10.820 14.632 1.00 54.44 O ATOM 289 CB LEU A 19 5.650 -8.834 12.648 1.00 3.21 C ATOM 290 CG LEU A 19 4.299 -8.873 11.859 1.00 71.20 C ATOM 291 CD1 LEU A 19 3.194 -8.012 12.503 1.00 51.13 C ATOM 292 CD2 LEU A 19 4.531 -8.463 10.389 1.00 4.32 C ATOM 0 H LEU A 19 5.546 -6.890 14.246 1.00 2.31 H new ATOM 0 HA LEU A 19 4.771 -9.696 14.448 1.00 73.12 H new ATOM 0 HB2 LEU A 19 6.140 -7.884 12.434 1.00 3.21 H new ATOM 0 HB3 LEU A 19 6.294 -9.621 12.255 1.00 3.21 H new ATOM 0 HG LEU A 19 3.939 -9.901 11.896 1.00 71.20 H new ATOM 0 HD11 LEU A 19 2.284 -8.083 11.907 1.00 51.13 H new ATOM 0 HD12 LEU A 19 2.995 -8.371 13.513 1.00 51.13 H new ATOM 0 HD13 LEU A 19 3.520 -6.973 12.545 1.00 51.13 H new ATOM 0 HD21 LEU A 19 3.585 -8.494 9.849 1.00 4.32 H new ATOM 0 HD22 LEU A 19 4.937 -7.452 10.353 1.00 4.32 H new ATOM 0 HD23 LEU A 19 5.236 -9.154 9.926 1.00 4.32 H new ATOM 304 N ASN A 20 7.750 -8.751 15.333 1.00 24.30 N ATOM 305 CA ASN A 20 9.046 -9.177 15.893 1.00 73.51 C ATOM 306 C ASN A 20 8.856 -10.087 17.132 1.00 52.52 C ATOM 307 O ASN A 20 8.235 -9.684 18.123 1.00 64.42 O ATOM 308 CB ASN A 20 9.935 -7.946 16.219 1.00 73.24 C ATOM 309 CG ASN A 20 11.346 -8.338 16.664 1.00 75.25 C ATOM 310 OD1 ASN A 20 11.616 -8.514 17.845 1.00 12.45 O ATOM 311 ND2 ASN A 20 12.247 -8.499 15.714 1.00 63.44 N ATOM 0 H ASN A 20 7.570 -7.751 15.427 1.00 24.30 H new ATOM 0 HA ASN A 20 9.561 -9.770 15.137 1.00 73.51 H new ATOM 0 HB2 ASN A 20 10.001 -7.307 15.338 1.00 73.24 H new ATOM 0 HB3 ASN A 20 9.461 -7.358 17.005 1.00 73.24 H new ATOM 0 HD21 ASN A 20 13.198 -8.777 15.955 1.00 63.44 H new ATOM 0 HD22 ASN A 20 11.992 -8.345 14.738 1.00 63.44 H new ATOM 318 N GLY A 21 9.389 -11.322 17.044 1.00 4.14 N ATOM 319 CA GLY A 21 9.303 -12.306 18.131 1.00 43.20 C ATOM 320 C GLY A 21 7.944 -13.017 18.234 1.00 2.23 C ATOM 321 O GLY A 21 7.638 -13.631 19.267 1.00 64.32 O ATOM 0 H GLY A 21 9.888 -11.660 16.221 1.00 4.14 H new ATOM 0 HA2 GLY A 21 10.082 -13.055 17.990 1.00 43.20 H new ATOM 0 HA3 GLY A 21 9.510 -11.805 19.076 1.00 43.20 H new ATOM 325 N THR A 22 7.122 -12.933 17.170 1.00 0.42 N ATOM 326 CA THR A 22 5.796 -13.608 17.109 1.00 1.32 C ATOM 327 C THR A 22 5.707 -14.558 15.894 1.00 0.14 C ATOM 328 O THR A 22 6.571 -14.543 15.007 1.00 11.41 O ATOM 329 CB THR A 22 4.607 -12.583 17.024 1.00 42.20 C ATOM 330 OG1 THR A 22 4.617 -11.902 15.753 1.00 50.33 O ATOM 331 CG2 THR A 22 4.646 -11.549 18.162 1.00 72.22 C ATOM 0 H THR A 22 7.350 -12.401 16.330 1.00 0.42 H new ATOM 0 HA THR A 22 5.707 -14.176 18.035 1.00 1.32 H new ATOM 0 HB THR A 22 3.687 -13.158 17.126 1.00 42.20 H new ATOM 0 HG1 THR A 22 5.542 -11.711 15.491 1.00 50.33 H new ATOM 0 HG21 THR A 22 3.805 -10.863 18.060 1.00 72.22 H new ATOM 0 HG22 THR A 22 4.582 -12.062 19.122 1.00 72.22 H new ATOM 0 HG23 THR A 22 5.579 -10.988 18.112 1.00 72.22 H new ATOM 339 N GLU A 23 4.647 -15.388 15.862 1.00 42.40 N ATOM 340 CA GLU A 23 4.318 -16.249 14.698 1.00 21.42 C ATOM 341 C GLU A 23 3.429 -15.523 13.661 1.00 12.32 C ATOM 342 O GLU A 23 2.925 -16.151 12.719 1.00 62.44 O ATOM 343 CB GLU A 23 3.654 -17.566 15.194 1.00 25.20 C ATOM 344 CG GLU A 23 4.644 -18.587 15.801 1.00 32.53 C ATOM 345 CD GLU A 23 5.543 -19.249 14.738 1.00 72.11 C ATOM 346 OE1 GLU A 23 6.583 -18.662 14.352 1.00 74.04 O ATOM 347 OE2 GLU A 23 5.195 -20.348 14.257 1.00 43.00 O ATOM 0 H GLU A 23 3.992 -15.484 16.638 1.00 42.40 H new ATOM 0 HA GLU A 23 5.248 -16.491 14.183 1.00 21.42 H new ATOM 0 HB2 GLU A 23 2.900 -17.320 15.941 1.00 25.20 H new ATOM 0 HB3 GLU A 23 3.134 -18.034 14.358 1.00 25.20 H new ATOM 0 HG2 GLU A 23 5.270 -18.085 16.539 1.00 32.53 H new ATOM 0 HG3 GLU A 23 4.085 -19.359 16.330 1.00 32.53 H new ATOM 354 N GLY A 24 3.262 -14.197 13.825 1.00 24.45 N ATOM 355 CA GLY A 24 2.525 -13.373 12.871 1.00 2.33 C ATOM 356 C GLY A 24 1.139 -12.966 13.326 1.00 44.34 C ATOM 357 O GLY A 24 0.482 -13.671 14.103 1.00 40.52 O ATOM 0 H GLY A 24 3.635 -13.677 14.620 1.00 24.45 H new ATOM 0 HA2 GLY A 24 3.104 -12.473 12.665 1.00 2.33 H new ATOM 0 HA3 GLY A 24 2.439 -13.918 11.931 1.00 2.33 H new ATOM 361 N LEU A 25 0.689 -11.820 12.809 1.00 33.23 N ATOM 362 CA LEU A 25 -0.614 -11.223 13.135 1.00 63.44 C ATOM 363 C LEU A 25 -1.373 -10.883 11.825 1.00 22.13 C ATOM 364 O LEU A 25 -0.756 -10.650 10.776 1.00 43.30 O ATOM 365 CB LEU A 25 -0.439 -9.932 14.001 1.00 33.30 C ATOM 366 CG LEU A 25 0.205 -10.055 15.434 1.00 43.44 C ATOM 367 CD1 LEU A 25 1.742 -10.200 15.383 1.00 61.45 C ATOM 368 CD2 LEU A 25 -0.201 -8.855 16.333 1.00 21.33 C ATOM 0 H LEU A 25 1.227 -11.269 12.140 1.00 33.23 H new ATOM 0 HA LEU A 25 -1.190 -11.945 13.714 1.00 63.44 H new ATOM 0 HB2 LEU A 25 0.167 -9.230 13.427 1.00 33.30 H new ATOM 0 HB3 LEU A 25 -1.424 -9.480 14.120 1.00 33.30 H new ATOM 0 HG LEU A 25 -0.189 -10.971 15.874 1.00 43.44 H new ATOM 0 HD11 LEU A 25 2.134 -10.281 16.397 1.00 61.45 H new ATOM 0 HD12 LEU A 25 2.004 -11.096 14.820 1.00 61.45 H new ATOM 0 HD13 LEU A 25 2.174 -9.326 14.896 1.00 61.45 H new ATOM 0 HD21 LEU A 25 0.257 -8.965 17.316 1.00 21.33 H new ATOM 0 HD22 LEU A 25 0.140 -7.926 15.876 1.00 21.33 H new ATOM 0 HD23 LEU A 25 -1.286 -8.830 16.439 1.00 21.33 H new ATOM 380 N THR A 26 -2.714 -10.870 11.897 1.00 10.24 N ATOM 381 CA THR A 26 -3.587 -10.451 10.772 1.00 64.22 C ATOM 382 C THR A 26 -3.818 -8.928 10.810 1.00 30.22 C ATOM 383 O THR A 26 -3.431 -8.260 11.776 1.00 32.42 O ATOM 384 CB THR A 26 -4.977 -11.174 10.812 1.00 11.31 C ATOM 385 OG1 THR A 26 -5.706 -10.796 11.999 1.00 21.41 O ATOM 386 CG2 THR A 26 -4.833 -12.704 10.766 1.00 43.41 C ATOM 0 H THR A 26 -3.229 -11.148 12.732 1.00 10.24 H new ATOM 0 HA THR A 26 -3.076 -10.730 9.851 1.00 64.22 H new ATOM 0 HB THR A 26 -5.527 -10.859 9.925 1.00 11.31 H new ATOM 0 HG1 THR A 26 -6.573 -11.254 12.010 1.00 21.41 H new ATOM 0 HG21 THR A 26 -5.821 -13.163 10.796 1.00 43.41 H new ATOM 0 HG22 THR A 26 -4.325 -12.994 9.846 1.00 43.41 H new ATOM 0 HG23 THR A 26 -4.250 -13.041 11.623 1.00 43.41 H new ATOM 394 N GLN A 27 -4.473 -8.387 9.761 1.00 62.11 N ATOM 395 CA GLN A 27 -4.766 -6.941 9.663 1.00 24.31 C ATOM 396 C GLN A 27 -5.636 -6.433 10.847 1.00 51.14 C ATOM 397 O GLN A 27 -5.463 -5.306 11.302 1.00 22.31 O ATOM 398 CB GLN A 27 -5.424 -6.595 8.298 1.00 43.12 C ATOM 399 CG GLN A 27 -6.808 -7.204 8.030 1.00 3.23 C ATOM 400 CD GLN A 27 -7.409 -6.709 6.710 1.00 51.13 C ATOM 401 OE1 GLN A 27 -7.236 -7.326 5.662 1.00 22.31 O ATOM 402 NE2 GLN A 27 -8.088 -5.572 6.748 1.00 4.23 N ATOM 0 H GLN A 27 -4.810 -8.932 8.967 1.00 62.11 H new ATOM 0 HA GLN A 27 -3.811 -6.419 9.724 1.00 24.31 H new ATOM 0 HB2 GLN A 27 -5.509 -5.511 8.225 1.00 43.12 H new ATOM 0 HB3 GLN A 27 -4.750 -6.916 7.504 1.00 43.12 H new ATOM 0 HG2 GLN A 27 -6.727 -8.291 8.006 1.00 3.23 H new ATOM 0 HG3 GLN A 27 -7.480 -6.952 8.851 1.00 3.23 H new ATOM 0 HE21 GLN A 27 -8.215 -5.083 7.634 1.00 4.23 H new ATOM 0 HE22 GLN A 27 -8.484 -5.186 5.891 1.00 4.23 H new ATOM 411 N LYS A 28 -6.560 -7.290 11.328 1.00 24.24 N ATOM 412 CA LYS A 28 -7.365 -7.033 12.553 1.00 30.32 C ATOM 413 C LYS A 28 -6.483 -6.928 13.824 1.00 41.54 C ATOM 414 O LYS A 28 -6.655 -6.012 14.643 1.00 1.43 O ATOM 415 CB LYS A 28 -8.421 -8.158 12.740 1.00 34.11 C ATOM 416 CG LYS A 28 -9.542 -8.147 11.686 1.00 71.44 C ATOM 417 CD LYS A 28 -10.530 -9.326 11.844 1.00 4.42 C ATOM 418 CE LYS A 28 -11.738 -9.216 10.900 1.00 53.14 C ATOM 419 NZ LYS A 28 -12.612 -10.416 10.971 1.00 53.31 N ATOM 0 H LYS A 28 -6.774 -8.182 10.882 1.00 24.24 H new ATOM 0 HA LYS A 28 -7.863 -6.073 12.418 1.00 30.32 H new ATOM 0 HB2 LYS A 28 -7.917 -9.124 12.709 1.00 34.11 H new ATOM 0 HB3 LYS A 28 -8.867 -8.063 13.730 1.00 34.11 H new ATOM 0 HG2 LYS A 28 -10.091 -7.208 11.757 1.00 71.44 H new ATOM 0 HG3 LYS A 28 -9.098 -8.183 10.691 1.00 71.44 H new ATOM 0 HD2 LYS A 28 -10.006 -10.262 11.650 1.00 4.42 H new ATOM 0 HD3 LYS A 28 -10.882 -9.365 12.875 1.00 4.42 H new ATOM 0 HE2 LYS A 28 -12.318 -8.329 11.156 1.00 53.14 H new ATOM 0 HE3 LYS A 28 -11.387 -9.083 9.877 1.00 53.14 H new ATOM 0 HZ1 LYS A 28 -13.414 -10.300 10.319 1.00 53.31 H new ATOM 0 HZ2 LYS A 28 -12.066 -11.259 10.702 1.00 53.31 H new ATOM 0 HZ3 LYS A 28 -12.968 -10.529 11.942 1.00 53.31 H new ATOM 433 N GLN A 29 -5.549 -7.883 13.974 1.00 22.51 N ATOM 434 CA GLN A 29 -4.659 -7.973 15.157 1.00 35.31 C ATOM 435 C GLN A 29 -3.677 -6.776 15.251 1.00 74.41 C ATOM 436 O GLN A 29 -3.541 -6.163 16.312 1.00 40.11 O ATOM 437 CB GLN A 29 -3.872 -9.310 15.131 1.00 43.20 C ATOM 438 CG GLN A 29 -4.732 -10.575 15.290 1.00 44.11 C ATOM 439 CD GLN A 29 -3.914 -11.868 15.199 1.00 62.40 C ATOM 440 OE1 GLN A 29 -3.776 -12.452 14.137 1.00 64.23 O ATOM 441 NE2 GLN A 29 -3.339 -12.301 16.303 1.00 34.12 N ATOM 0 H GLN A 29 -5.386 -8.615 13.283 1.00 22.51 H new ATOM 0 HA GLN A 29 -5.294 -7.939 16.043 1.00 35.31 H new ATOM 0 HB2 GLN A 29 -3.328 -9.375 14.189 1.00 43.20 H new ATOM 0 HB3 GLN A 29 -3.129 -9.292 15.928 1.00 43.20 H new ATOM 0 HG2 GLN A 29 -5.244 -10.542 16.252 1.00 44.11 H new ATOM 0 HG3 GLN A 29 -5.503 -10.584 14.519 1.00 44.11 H new ATOM 0 HE21 GLN A 29 -3.470 -11.795 17.179 1.00 34.12 H new ATOM 0 HE22 GLN A 29 -2.763 -13.143 16.282 1.00 34.12 H new ATOM 450 N ILE A 30 -3.010 -6.452 14.127 1.00 43.01 N ATOM 451 CA ILE A 30 -1.974 -5.387 14.070 1.00 33.15 C ATOM 452 C ILE A 30 -2.588 -3.979 14.230 1.00 11.15 C ATOM 453 O ILE A 30 -2.061 -3.158 14.969 1.00 24.11 O ATOM 454 CB ILE A 30 -1.173 -5.441 12.719 1.00 54.15 C ATOM 455 CG1 ILE A 30 -0.596 -6.864 12.490 1.00 72.35 C ATOM 456 CG2 ILE A 30 -0.042 -4.378 12.688 1.00 64.05 C ATOM 457 CD1 ILE A 30 0.006 -7.114 11.123 1.00 14.14 C ATOM 0 H ILE A 30 -3.169 -6.916 13.232 1.00 43.01 H new ATOM 0 HA ILE A 30 -1.296 -5.574 14.903 1.00 33.15 H new ATOM 0 HB ILE A 30 -1.864 -5.210 11.909 1.00 54.15 H new ATOM 0 HG12 ILE A 30 0.169 -7.052 13.244 1.00 72.35 H new ATOM 0 HG13 ILE A 30 -1.392 -7.590 12.655 1.00 72.35 H new ATOM 0 HG21 ILE A 30 0.492 -4.443 11.740 1.00 64.05 H new ATOM 0 HG22 ILE A 30 -0.475 -3.383 12.794 1.00 64.05 H new ATOM 0 HG23 ILE A 30 0.652 -4.561 13.509 1.00 64.05 H new ATOM 0 HD11 ILE A 30 0.378 -8.137 11.071 1.00 14.14 H new ATOM 0 HD12 ILE A 30 -0.756 -6.966 10.357 1.00 14.14 H new ATOM 0 HD13 ILE A 30 0.829 -6.419 10.955 1.00 14.14 H new ATOM 469 N LYS A 31 -3.704 -3.728 13.518 1.00 34.12 N ATOM 470 CA LYS A 31 -4.436 -2.430 13.550 1.00 51.35 C ATOM 471 C LYS A 31 -4.785 -2.007 15.005 1.00 72.31 C ATOM 472 O LYS A 31 -4.632 -0.844 15.386 1.00 3.23 O ATOM 473 CB LYS A 31 -5.722 -2.578 12.697 1.00 70.33 C ATOM 474 CG LYS A 31 -6.556 -1.299 12.476 1.00 30.55 C ATOM 475 CD LYS A 31 -7.823 -1.591 11.633 1.00 1.22 C ATOM 476 CE LYS A 31 -8.662 -0.340 11.344 1.00 73.32 C ATOM 477 NZ LYS A 31 -9.898 -0.668 10.586 1.00 12.33 N ATOM 0 H LYS A 31 -4.131 -4.418 12.900 1.00 34.12 H new ATOM 0 HA LYS A 31 -3.800 -1.646 13.139 1.00 51.35 H new ATOM 0 HB2 LYS A 31 -5.440 -2.973 11.721 1.00 70.33 H new ATOM 0 HB3 LYS A 31 -6.361 -3.324 13.170 1.00 70.33 H new ATOM 0 HG2 LYS A 31 -6.846 -0.881 13.440 1.00 30.55 H new ATOM 0 HG3 LYS A 31 -5.947 -0.548 11.973 1.00 30.55 H new ATOM 0 HD2 LYS A 31 -7.525 -2.046 10.688 1.00 1.22 H new ATOM 0 HD3 LYS A 31 -8.440 -2.320 12.158 1.00 1.22 H new ATOM 0 HE2 LYS A 31 -8.929 0.144 12.284 1.00 73.32 H new ATOM 0 HE3 LYS A 31 -8.066 0.374 10.776 1.00 73.32 H new ATOM 0 HZ1 LYS A 31 -10.682 -0.077 10.929 1.00 12.33 H new ATOM 0 HZ2 LYS A 31 -9.743 -0.485 9.574 1.00 12.33 H new ATOM 0 HZ3 LYS A 31 -10.134 -1.671 10.724 1.00 12.33 H new ATOM 491 N LYS A 32 -5.236 -2.995 15.801 1.00 34.40 N ATOM 492 CA LYS A 32 -5.487 -2.836 17.252 1.00 64.42 C ATOM 493 C LYS A 32 -4.155 -2.678 18.051 1.00 64.14 C ATOM 494 O LYS A 32 -4.031 -1.786 18.902 1.00 62.50 O ATOM 495 CB LYS A 32 -6.313 -4.051 17.782 1.00 52.22 C ATOM 496 CG LYS A 32 -6.604 -4.043 19.306 1.00 21.22 C ATOM 497 CD LYS A 32 -7.368 -2.780 19.775 1.00 14.22 C ATOM 498 CE LYS A 32 -7.585 -2.745 21.299 1.00 63.10 C ATOM 499 NZ LYS A 32 -8.474 -3.845 21.766 1.00 54.12 N ATOM 0 H LYS A 32 -5.439 -3.933 15.456 1.00 34.40 H new ATOM 0 HA LYS A 32 -6.062 -1.922 17.402 1.00 64.42 H new ATOM 0 HB2 LYS A 32 -7.263 -4.084 17.248 1.00 52.22 H new ATOM 0 HB3 LYS A 32 -5.777 -4.968 17.536 1.00 52.22 H new ATOM 0 HG2 LYS A 32 -7.186 -4.928 19.563 1.00 21.22 H new ATOM 0 HG3 LYS A 32 -5.662 -4.112 19.850 1.00 21.22 H new ATOM 0 HD2 LYS A 32 -6.814 -1.892 19.471 1.00 14.22 H new ATOM 0 HD3 LYS A 32 -8.335 -2.739 19.274 1.00 14.22 H new ATOM 0 HE2 LYS A 32 -6.622 -2.820 21.803 1.00 63.10 H new ATOM 0 HE3 LYS A 32 -8.018 -1.785 21.581 1.00 63.10 H new ATOM 0 HZ1 LYS A 32 -8.605 -3.772 22.795 1.00 54.12 H new ATOM 0 HZ2 LYS A 32 -9.397 -3.770 21.293 1.00 54.12 H new ATOM 0 HZ3 LYS A 32 -8.041 -4.762 21.537 1.00 54.12 H new ATOM 513 N ALA A 33 -3.162 -3.539 17.744 1.00 2.34 N ATOM 514 CA ALA A 33 -1.871 -3.617 18.493 1.00 33.30 C ATOM 515 C ALA A 33 -0.963 -2.371 18.288 1.00 11.32 C ATOM 516 O ALA A 33 -0.081 -2.097 19.107 1.00 71.31 O ATOM 517 CB ALA A 33 -1.114 -4.896 18.092 1.00 10.14 C ATOM 0 H ALA A 33 -3.224 -4.203 16.972 1.00 2.34 H new ATOM 0 HA ALA A 33 -2.122 -3.644 19.553 1.00 33.30 H new ATOM 0 HB1 ALA A 33 -0.173 -4.949 18.640 1.00 10.14 H new ATOM 0 HB2 ALA A 33 -1.722 -5.769 18.330 1.00 10.14 H new ATOM 0 HB3 ALA A 33 -0.909 -4.877 17.022 1.00 10.14 H new ATOM 523 N THR A 34 -1.174 -1.652 17.173 1.00 71.14 N ATOM 524 CA THR A 34 -0.440 -0.396 16.836 1.00 20.15 C ATOM 525 C THR A 34 -1.351 0.852 16.989 1.00 33.01 C ATOM 526 O THR A 34 -0.878 1.991 16.852 1.00 43.12 O ATOM 527 CB THR A 34 0.132 -0.448 15.376 1.00 14.11 C ATOM 528 OG1 THR A 34 -0.938 -0.655 14.441 1.00 54.45 O ATOM 529 CG2 THR A 34 1.188 -1.560 15.202 1.00 51.11 C ATOM 0 H THR A 34 -1.861 -1.918 16.468 1.00 71.14 H new ATOM 0 HA THR A 34 0.388 -0.314 17.540 1.00 20.15 H new ATOM 0 HB THR A 34 0.621 0.507 15.184 1.00 14.11 H new ATOM 0 HG1 THR A 34 -1.339 -1.536 14.593 1.00 54.45 H new ATOM 0 HG21 THR A 34 1.554 -1.556 14.175 1.00 51.11 H new ATOM 0 HG22 THR A 34 2.019 -1.382 15.884 1.00 51.11 H new ATOM 0 HG23 THR A 34 0.737 -2.528 15.423 1.00 51.11 H new ATOM 537 N LYS A 35 -2.665 0.607 17.246 1.00 42.25 N ATOM 538 CA LYS A 35 -3.693 1.655 17.508 1.00 0.30 C ATOM 539 C LYS A 35 -3.960 2.536 16.243 1.00 75.25 C ATOM 540 O LYS A 35 -4.369 3.703 16.341 1.00 33.24 O ATOM 541 CB LYS A 35 -3.298 2.504 18.764 1.00 63.32 C ATOM 542 CG LYS A 35 -4.413 3.417 19.343 1.00 14.51 C ATOM 543 CD LYS A 35 -3.892 4.395 20.424 1.00 13.24 C ATOM 544 CE LYS A 35 -3.338 3.680 21.670 1.00 55.31 C ATOM 545 NZ LYS A 35 -2.831 4.643 22.679 1.00 1.34 N ATOM 0 H LYS A 35 -3.046 -0.338 17.278 1.00 42.25 H new ATOM 0 HA LYS A 35 -4.639 1.161 17.732 1.00 0.30 H new ATOM 0 HB2 LYS A 35 -2.968 1.824 19.549 1.00 63.32 H new ATOM 0 HB3 LYS A 35 -2.443 3.128 18.503 1.00 63.32 H new ATOM 0 HG2 LYS A 35 -4.865 3.988 18.532 1.00 14.51 H new ATOM 0 HG3 LYS A 35 -5.199 2.795 19.772 1.00 14.51 H new ATOM 0 HD2 LYS A 35 -3.110 5.020 19.993 1.00 13.24 H new ATOM 0 HD3 LYS A 35 -4.702 5.060 20.724 1.00 13.24 H new ATOM 0 HE2 LYS A 35 -4.121 3.066 22.115 1.00 55.31 H new ATOM 0 HE3 LYS A 35 -2.534 3.006 21.375 1.00 55.31 H new ATOM 0 HZ1 LYS A 35 -2.467 4.123 23.503 1.00 1.34 H new ATOM 0 HZ2 LYS A 35 -2.066 5.212 22.263 1.00 1.34 H new ATOM 0 HZ3 LYS A 35 -3.604 5.270 22.980 1.00 1.34 H new ATOM 559 N LEU A 36 -3.775 1.941 15.046 1.00 10.10 N ATOM 560 CA LEU A 36 -4.019 2.631 13.758 1.00 13.22 C ATOM 561 C LEU A 36 -5.522 2.965 13.565 1.00 44.34 C ATOM 562 O LEU A 36 -6.379 2.069 13.560 1.00 64.52 O ATOM 563 CB LEU A 36 -3.469 1.791 12.569 1.00 60.01 C ATOM 564 CG LEU A 36 -1.911 1.658 12.513 1.00 61.44 C ATOM 565 CD1 LEU A 36 -1.461 0.725 11.369 1.00 24.44 C ATOM 566 CD2 LEU A 36 -1.239 3.048 12.411 1.00 34.54 C ATOM 0 H LEU A 36 -3.455 0.978 14.943 1.00 10.10 H new ATOM 0 HA LEU A 36 -3.479 3.578 13.781 1.00 13.22 H new ATOM 0 HB2 LEU A 36 -3.902 0.792 12.620 1.00 60.01 H new ATOM 0 HB3 LEU A 36 -3.813 2.240 11.637 1.00 60.01 H new ATOM 0 HG LEU A 36 -1.584 1.200 13.446 1.00 61.44 H new ATOM 0 HD11 LEU A 36 -0.373 0.657 11.361 1.00 24.44 H new ATOM 0 HD12 LEU A 36 -1.885 -0.267 11.521 1.00 24.44 H new ATOM 0 HD13 LEU A 36 -1.806 1.125 10.416 1.00 24.44 H new ATOM 0 HD21 LEU A 36 -0.156 2.927 12.374 1.00 34.54 H new ATOM 0 HD22 LEU A 36 -1.579 3.551 11.506 1.00 34.54 H new ATOM 0 HD23 LEU A 36 -1.507 3.647 13.282 1.00 34.54 H new ATOM 578 N LYS A 37 -5.809 4.280 13.445 1.00 72.14 N ATOM 579 CA LYS A 37 -7.175 4.833 13.267 1.00 45.13 C ATOM 580 C LYS A 37 -7.903 4.216 12.044 1.00 23.21 C ATOM 581 O LYS A 37 -9.112 3.954 12.090 1.00 12.21 O ATOM 582 CB LYS A 37 -7.095 6.384 13.120 1.00 41.14 C ATOM 583 CG LYS A 37 -6.132 6.867 12.004 1.00 51.22 C ATOM 584 CD LYS A 37 -6.116 8.397 11.821 1.00 21.31 C ATOM 585 CE LYS A 37 -5.098 8.848 10.753 1.00 23.13 C ATOM 586 NZ LYS A 37 -5.354 8.216 9.427 1.00 34.44 N ATOM 0 H LYS A 37 -5.088 5.001 13.469 1.00 72.14 H new ATOM 0 HA LYS A 37 -7.757 4.573 14.151 1.00 45.13 H new ATOM 0 HB2 LYS A 37 -8.093 6.771 12.915 1.00 41.14 H new ATOM 0 HB3 LYS A 37 -6.776 6.812 14.070 1.00 41.14 H new ATOM 0 HG2 LYS A 37 -5.123 6.527 12.235 1.00 51.22 H new ATOM 0 HG3 LYS A 37 -6.418 6.400 11.062 1.00 51.22 H new ATOM 0 HD2 LYS A 37 -7.112 8.737 11.537 1.00 21.31 H new ATOM 0 HD3 LYS A 37 -5.876 8.872 12.772 1.00 21.31 H new ATOM 0 HE2 LYS A 37 -5.138 9.932 10.650 1.00 23.13 H new ATOM 0 HE3 LYS A 37 -4.091 8.596 11.085 1.00 23.13 H new ATOM 0 HZ1 LYS A 37 -4.723 8.636 8.715 1.00 34.44 H new ATOM 0 HZ2 LYS A 37 -5.174 7.194 9.489 1.00 34.44 H new ATOM 0 HZ3 LYS A 37 -6.344 8.377 9.151 1.00 34.44 H new ATOM 600 N ALA A 38 -7.137 3.976 10.965 1.00 0.22 N ATOM 601 CA ALA A 38 -7.644 3.379 9.718 1.00 51.24 C ATOM 602 C ALA A 38 -6.706 2.258 9.225 1.00 60.11 C ATOM 603 O ALA A 38 -5.487 2.294 9.430 1.00 34.23 O ATOM 604 CB ALA A 38 -7.825 4.460 8.627 1.00 71.44 C ATOM 0 H ALA A 38 -6.141 4.193 10.934 1.00 0.22 H new ATOM 0 HA ALA A 38 -8.619 2.938 9.926 1.00 51.24 H new ATOM 0 HB1 ALA A 38 -8.200 3.997 7.715 1.00 71.44 H new ATOM 0 HB2 ALA A 38 -8.537 5.210 8.972 1.00 71.44 H new ATOM 0 HB3 ALA A 38 -6.866 4.936 8.424 1.00 71.44 H new ATOM 610 N ASP A 39 -7.311 1.250 8.584 1.00 55.34 N ATOM 611 CA ASP A 39 -6.589 0.176 7.859 1.00 2.54 C ATOM 612 C ASP A 39 -5.741 0.745 6.688 1.00 31.22 C ATOM 613 O ASP A 39 -4.776 0.122 6.258 1.00 70.35 O ATOM 614 CB ASP A 39 -7.599 -0.903 7.368 1.00 61.02 C ATOM 615 CG ASP A 39 -8.861 -0.303 6.717 1.00 51.04 C ATOM 616 OD1 ASP A 39 -8.764 0.239 5.604 1.00 51.22 O ATOM 617 OD2 ASP A 39 -9.949 -0.360 7.325 1.00 33.01 O ATOM 0 H ASP A 39 -8.325 1.149 8.549 1.00 55.34 H new ATOM 0 HA ASP A 39 -5.889 -0.296 8.548 1.00 2.54 H new ATOM 0 HB2 ASP A 39 -7.103 -1.555 6.650 1.00 61.02 H new ATOM 0 HB3 ASP A 39 -7.895 -1.525 8.213 1.00 61.02 H new ATOM 622 N LYS A 40 -6.137 1.926 6.182 1.00 65.05 N ATOM 623 CA LYS A 40 -5.401 2.662 5.121 1.00 25.32 C ATOM 624 C LYS A 40 -3.961 3.033 5.557 1.00 62.44 C ATOM 625 O LYS A 40 -3.033 3.021 4.741 1.00 54.31 O ATOM 626 CB LYS A 40 -6.190 3.937 4.727 1.00 25.42 C ATOM 627 CG LYS A 40 -7.677 3.674 4.385 1.00 43.14 C ATOM 628 CD LYS A 40 -7.860 2.609 3.274 1.00 53.43 C ATOM 629 CE LYS A 40 -9.332 2.259 3.012 1.00 43.02 C ATOM 630 NZ LYS A 40 -10.137 3.440 2.621 1.00 73.23 N ATOM 0 H LYS A 40 -6.981 2.406 6.495 1.00 65.05 H new ATOM 0 HA LYS A 40 -5.314 2.002 4.258 1.00 25.32 H new ATOM 0 HB2 LYS A 40 -6.137 4.653 5.547 1.00 25.42 H new ATOM 0 HB3 LYS A 40 -5.706 4.401 3.867 1.00 25.42 H new ATOM 0 HG2 LYS A 40 -8.199 3.347 5.284 1.00 43.14 H new ATOM 0 HG3 LYS A 40 -8.142 4.607 4.067 1.00 43.14 H new ATOM 0 HD2 LYS A 40 -7.410 2.974 2.351 1.00 53.43 H new ATOM 0 HD3 LYS A 40 -7.322 1.704 3.555 1.00 53.43 H new ATOM 0 HE2 LYS A 40 -9.388 1.508 2.224 1.00 43.02 H new ATOM 0 HE3 LYS A 40 -9.761 1.812 3.909 1.00 43.02 H new ATOM 0 HZ1 LYS A 40 -10.883 3.601 3.327 1.00 73.23 H new ATOM 0 HZ2 LYS A 40 -9.523 4.277 2.570 1.00 73.23 H new ATOM 0 HZ3 LYS A 40 -10.571 3.272 1.691 1.00 73.23 H new ATOM 644 N ASP A 41 -3.799 3.349 6.856 1.00 33.52 N ATOM 645 CA ASP A 41 -2.481 3.588 7.485 1.00 4.44 C ATOM 646 C ASP A 41 -1.642 2.284 7.508 1.00 63.32 C ATOM 647 O ASP A 41 -0.421 2.300 7.288 1.00 55.42 O ATOM 648 CB ASP A 41 -2.681 4.117 8.927 1.00 31.23 C ATOM 649 CG ASP A 41 -3.506 5.409 8.977 1.00 11.14 C ATOM 650 OD1 ASP A 41 -2.965 6.492 8.645 1.00 1.32 O ATOM 651 OD2 ASP A 41 -4.702 5.350 9.327 1.00 70.10 O ATOM 0 H ASP A 41 -4.581 3.447 7.504 1.00 33.52 H new ATOM 0 HA ASP A 41 -1.942 4.332 6.899 1.00 4.44 H new ATOM 0 HB2 ASP A 41 -3.176 3.352 9.524 1.00 31.23 H new ATOM 0 HB3 ASP A 41 -1.707 4.296 9.382 1.00 31.23 H new ATOM 656 N PHE A 42 -2.341 1.164 7.759 1.00 30.41 N ATOM 657 CA PHE A 42 -1.749 -0.188 7.821 1.00 41.13 C ATOM 658 C PHE A 42 -1.240 -0.684 6.438 1.00 4.30 C ATOM 659 O PHE A 42 -0.169 -1.287 6.358 1.00 63.43 O ATOM 660 CB PHE A 42 -2.793 -1.179 8.419 1.00 13.23 C ATOM 661 CG PHE A 42 -2.369 -2.641 8.381 1.00 42.35 C ATOM 662 CD1 PHE A 42 -1.308 -3.090 9.158 1.00 43.15 C ATOM 663 CD2 PHE A 42 -3.013 -3.560 7.551 1.00 73.23 C ATOM 664 CE1 PHE A 42 -0.904 -4.405 9.109 1.00 70.30 C ATOM 665 CE2 PHE A 42 -2.606 -4.878 7.511 1.00 64.22 C ATOM 666 CZ PHE A 42 -1.552 -5.300 8.288 1.00 75.12 C ATOM 0 H PHE A 42 -3.347 1.170 7.927 1.00 30.41 H new ATOM 0 HA PHE A 42 -0.872 -0.141 8.467 1.00 41.13 H new ATOM 0 HB2 PHE A 42 -2.991 -0.898 9.453 1.00 13.23 H new ATOM 0 HB3 PHE A 42 -3.731 -1.071 7.874 1.00 13.23 H new ATOM 0 HD1 PHE A 42 -0.794 -2.398 9.809 1.00 43.15 H new ATOM 0 HD2 PHE A 42 -3.838 -3.236 6.934 1.00 73.23 H new ATOM 0 HE1 PHE A 42 -0.075 -4.736 9.717 1.00 70.30 H new ATOM 0 HE2 PHE A 42 -3.116 -5.580 6.868 1.00 64.22 H new ATOM 0 HZ PHE A 42 -1.234 -6.331 8.254 1.00 75.12 H new ATOM 676 N PHE A 43 -2.019 -0.441 5.362 1.00 3.52 N ATOM 677 CA PHE A 43 -1.672 -0.910 3.987 1.00 3.53 C ATOM 678 C PHE A 43 -0.366 -0.267 3.464 1.00 21.31 C ATOM 679 O PHE A 43 0.452 -0.930 2.821 1.00 42.33 O ATOM 680 CB PHE A 43 -2.841 -0.641 3.002 1.00 61.40 C ATOM 681 CG PHE A 43 -4.143 -1.357 3.360 1.00 35.03 C ATOM 682 CD1 PHE A 43 -4.142 -2.706 3.729 1.00 4.11 C ATOM 683 CD2 PHE A 43 -5.363 -0.687 3.334 1.00 5.33 C ATOM 684 CE1 PHE A 43 -5.318 -3.351 4.063 1.00 51.11 C ATOM 685 CE2 PHE A 43 -6.534 -1.333 3.666 1.00 60.21 C ATOM 686 CZ PHE A 43 -6.513 -2.664 4.029 1.00 51.45 C ATOM 0 H PHE A 43 -2.896 0.078 5.411 1.00 3.52 H new ATOM 0 HA PHE A 43 -1.504 -1.985 4.049 1.00 3.53 H new ATOM 0 HB2 PHE A 43 -3.029 0.432 2.964 1.00 61.40 H new ATOM 0 HB3 PHE A 43 -2.535 -0.947 2.001 1.00 61.40 H new ATOM 0 HD1 PHE A 43 -3.210 -3.251 3.753 1.00 4.11 H new ATOM 0 HD2 PHE A 43 -5.392 0.354 3.049 1.00 5.33 H new ATOM 0 HE1 PHE A 43 -5.301 -4.392 4.350 1.00 51.11 H new ATOM 0 HE2 PHE A 43 -7.471 -0.796 3.642 1.00 60.21 H new ATOM 0 HZ PHE A 43 -7.433 -3.168 4.287 1.00 51.45 H new ATOM 696 N LEU A 44 -0.188 1.030 3.762 1.00 10.54 N ATOM 697 CA LEU A 44 1.049 1.778 3.440 1.00 54.33 C ATOM 698 C LEU A 44 2.227 1.325 4.347 1.00 11.43 C ATOM 699 O LEU A 44 3.379 1.264 3.898 1.00 13.55 O ATOM 700 CB LEU A 44 0.794 3.314 3.574 1.00 61.44 C ATOM 701 CG LEU A 44 0.110 4.026 2.351 1.00 34.35 C ATOM 702 CD1 LEU A 44 -1.277 3.431 2.003 1.00 52.35 C ATOM 703 CD2 LEU A 44 0.033 5.556 2.577 1.00 22.35 C ATOM 0 H LEU A 44 -0.895 1.594 4.233 1.00 10.54 H new ATOM 0 HA LEU A 44 1.329 1.561 2.409 1.00 54.33 H new ATOM 0 HB2 LEU A 44 0.174 3.480 4.455 1.00 61.44 H new ATOM 0 HB3 LEU A 44 1.750 3.803 3.761 1.00 61.44 H new ATOM 0 HG LEU A 44 0.743 3.839 1.483 1.00 34.35 H new ATOM 0 HD11 LEU A 44 -1.698 3.964 1.151 1.00 52.35 H new ATOM 0 HD12 LEU A 44 -1.168 2.376 1.753 1.00 52.35 H new ATOM 0 HD13 LEU A 44 -1.942 3.534 2.860 1.00 52.35 H new ATOM 0 HD21 LEU A 44 -0.444 6.027 1.718 1.00 22.35 H new ATOM 0 HD22 LEU A 44 -0.550 5.762 3.474 1.00 22.35 H new ATOM 0 HD23 LEU A 44 1.039 5.957 2.698 1.00 22.35 H new ATOM 715 N GLY A 45 1.910 1.005 5.621 1.00 62.23 N ATOM 716 CA GLY A 45 2.907 0.515 6.586 1.00 12.14 C ATOM 717 C GLY A 45 3.531 -0.832 6.189 1.00 52.34 C ATOM 718 O GLY A 45 4.744 -0.929 5.991 1.00 24.15 O ATOM 0 H GLY A 45 0.967 1.079 6.002 1.00 62.23 H new ATOM 0 HA2 GLY A 45 3.698 1.258 6.688 1.00 12.14 H new ATOM 0 HA3 GLY A 45 2.436 0.415 7.564 1.00 12.14 H new ATOM 722 N LEU A 46 2.684 -1.875 6.046 1.00 42.14 N ATOM 723 CA LEU A 46 3.129 -3.228 5.604 1.00 43.00 C ATOM 724 C LEU A 46 3.660 -3.174 4.144 1.00 45.33 C ATOM 725 O LEU A 46 4.520 -3.966 3.759 1.00 44.14 O ATOM 726 CB LEU A 46 1.962 -4.272 5.742 1.00 31.44 C ATOM 727 CG LEU A 46 1.009 -4.452 4.490 1.00 60.10 C ATOM 728 CD1 LEU A 46 1.399 -5.672 3.622 1.00 21.23 C ATOM 729 CD2 LEU A 46 -0.472 -4.501 4.887 1.00 33.11 C ATOM 0 H LEU A 46 1.683 -1.811 6.230 1.00 42.14 H new ATOM 0 HA LEU A 46 3.944 -3.552 6.251 1.00 43.00 H new ATOM 0 HB2 LEU A 46 2.401 -5.242 5.976 1.00 31.44 H new ATOM 0 HB3 LEU A 46 1.349 -3.984 6.596 1.00 31.44 H new ATOM 0 HG LEU A 46 1.149 -3.563 3.876 1.00 60.10 H new ATOM 0 HD11 LEU A 46 0.715 -5.751 2.777 1.00 21.23 H new ATOM 0 HD12 LEU A 46 2.417 -5.546 3.254 1.00 21.23 H new ATOM 0 HD13 LEU A 46 1.340 -6.580 4.223 1.00 21.23 H new ATOM 0 HD21 LEU A 46 -1.084 -4.625 3.994 1.00 33.11 H new ATOM 0 HD22 LEU A 46 -0.640 -5.340 5.562 1.00 33.11 H new ATOM 0 HD23 LEU A 46 -0.745 -3.572 5.388 1.00 33.11 H new ATOM 741 N GLY A 47 3.113 -2.228 3.348 1.00 65.43 N ATOM 742 CA GLY A 47 3.555 -1.987 1.963 1.00 75.02 C ATOM 743 C GLY A 47 5.024 -1.574 1.881 1.00 43.33 C ATOM 744 O GLY A 47 5.707 -1.821 0.874 1.00 25.15 O ATOM 0 H GLY A 47 2.356 -1.614 3.649 1.00 65.43 H new ATOM 0 HA2 GLY A 47 3.402 -2.891 1.374 1.00 75.02 H new ATOM 0 HA3 GLY A 47 2.936 -1.208 1.518 1.00 75.02 H new ATOM 748 N TRP A 48 5.506 -0.901 2.945 1.00 12.43 N ATOM 749 CA TRP A 48 6.931 -0.584 3.101 1.00 65.50 C ATOM 750 C TRP A 48 7.741 -1.867 3.458 1.00 74.44 C ATOM 751 O TRP A 48 8.818 -2.100 2.913 1.00 51.34 O ATOM 752 CB TRP A 48 7.140 0.529 4.161 1.00 34.43 C ATOM 753 CG TRP A 48 8.466 1.230 4.002 1.00 22.42 C ATOM 754 CD1 TRP A 48 9.689 0.793 4.411 1.00 53.53 C ATOM 755 CD2 TRP A 48 8.688 2.480 3.341 1.00 72.11 C ATOM 756 NE1 TRP A 48 10.656 1.673 4.014 1.00 62.45 N ATOM 757 CE2 TRP A 48 10.068 2.728 3.371 1.00 71.51 C ATOM 758 CE3 TRP A 48 7.848 3.409 2.725 1.00 3.02 C ATOM 759 CZ2 TRP A 48 10.633 3.865 2.801 1.00 62.43 C ATOM 760 CZ3 TRP A 48 8.407 4.537 2.163 1.00 21.51 C ATOM 761 CH2 TRP A 48 9.787 4.759 2.203 1.00 35.53 C ATOM 0 H TRP A 48 4.921 -0.567 3.711 1.00 12.43 H new ATOM 0 HA TRP A 48 7.304 -0.205 2.150 1.00 65.50 H new ATOM 0 HB2 TRP A 48 6.334 1.259 4.082 1.00 34.43 H new ATOM 0 HB3 TRP A 48 7.079 0.094 5.158 1.00 34.43 H new ATOM 0 HD1 TRP A 48 9.868 -0.115 4.967 1.00 53.53 H new ATOM 0 HE1 TRP A 48 11.657 1.561 4.172 1.00 62.45 H new ATOM 0 HE3 TRP A 48 6.781 3.247 2.689 1.00 3.02 H new ATOM 0 HZ2 TRP A 48 11.699 4.035 2.830 1.00 62.43 H new ATOM 0 HZ3 TRP A 48 7.767 5.263 1.683 1.00 21.51 H new ATOM 0 HH2 TRP A 48 10.193 5.653 1.753 1.00 35.53 H new ATOM 772 N LEU A 49 7.177 -2.706 4.350 1.00 41.33 N ATOM 773 CA LEU A 49 7.776 -4.022 4.759 1.00 41.54 C ATOM 774 C LEU A 49 8.039 -4.958 3.544 1.00 51.14 C ATOM 775 O LEU A 49 8.959 -5.789 3.577 1.00 3.32 O ATOM 776 CB LEU A 49 6.858 -4.740 5.809 1.00 55.43 C ATOM 777 CG LEU A 49 6.982 -4.297 7.305 1.00 24.31 C ATOM 778 CD1 LEU A 49 6.992 -2.788 7.447 1.00 25.05 C ATOM 779 CD2 LEU A 49 5.858 -4.913 8.178 1.00 20.13 C ATOM 0 H LEU A 49 6.292 -2.503 4.816 1.00 41.33 H new ATOM 0 HA LEU A 49 8.742 -3.804 5.214 1.00 41.54 H new ATOM 0 HB2 LEU A 49 5.822 -4.598 5.502 1.00 55.43 H new ATOM 0 HB3 LEU A 49 7.062 -5.809 5.758 1.00 55.43 H new ATOM 0 HG LEU A 49 7.939 -4.675 7.664 1.00 24.31 H new ATOM 0 HD11 LEU A 49 7.079 -2.522 8.500 1.00 25.05 H new ATOM 0 HD12 LEU A 49 7.839 -2.376 6.898 1.00 25.05 H new ATOM 0 HD13 LEU A 49 6.065 -2.379 7.045 1.00 25.05 H new ATOM 0 HD21 LEU A 49 5.977 -4.583 9.210 1.00 20.13 H new ATOM 0 HD22 LEU A 49 4.887 -4.589 7.803 1.00 20.13 H new ATOM 0 HD23 LEU A 49 5.919 -6.000 8.135 1.00 20.13 H new ATOM 791 N LEU A 50 7.204 -4.818 2.494 1.00 3.11 N ATOM 792 CA LEU A 50 7.329 -5.591 1.235 1.00 33.41 C ATOM 793 C LEU A 50 8.609 -5.227 0.442 1.00 20.24 C ATOM 794 O LEU A 50 9.250 -6.112 -0.129 1.00 55.31 O ATOM 795 CB LEU A 50 6.064 -5.395 0.349 1.00 70.22 C ATOM 796 CG LEU A 50 4.701 -5.760 1.022 1.00 1.44 C ATOM 797 CD1 LEU A 50 3.524 -5.675 0.023 1.00 31.44 C ATOM 798 CD2 LEU A 50 4.768 -7.136 1.727 1.00 55.55 C ATOM 0 H LEU A 50 6.421 -4.164 2.493 1.00 3.11 H new ATOM 0 HA LEU A 50 7.413 -6.642 1.511 1.00 33.41 H new ATOM 0 HB2 LEU A 50 6.024 -4.353 0.031 1.00 70.22 H new ATOM 0 HB3 LEU A 50 6.177 -5.999 -0.551 1.00 70.22 H new ATOM 0 HG LEU A 50 4.510 -5.014 1.793 1.00 1.44 H new ATOM 0 HD11 LEU A 50 2.596 -5.936 0.531 1.00 31.44 H new ATOM 0 HD12 LEU A 50 3.451 -4.660 -0.367 1.00 31.44 H new ATOM 0 HD13 LEU A 50 3.695 -6.369 -0.800 1.00 31.44 H new ATOM 0 HD21 LEU A 50 3.804 -7.358 2.184 1.00 55.55 H new ATOM 0 HD22 LEU A 50 5.010 -7.908 0.996 1.00 55.55 H new ATOM 0 HD23 LEU A 50 5.538 -7.113 2.498 1.00 55.55 H new ATOM 810 N ARG A 51 8.976 -3.922 0.402 1.00 73.52 N ATOM 811 CA ARG A 51 10.211 -3.465 -0.306 1.00 42.45 C ATOM 812 C ARG A 51 11.472 -3.844 0.494 1.00 70.23 C ATOM 813 O ARG A 51 12.558 -4.007 -0.070 1.00 4.34 O ATOM 814 CB ARG A 51 10.169 -1.930 -0.586 1.00 23.04 C ATOM 815 CG ARG A 51 10.570 -0.989 0.580 1.00 72.21 C ATOM 816 CD ARG A 51 10.041 0.447 0.386 1.00 31.42 C ATOM 817 NE ARG A 51 8.569 0.465 0.398 1.00 54.11 N ATOM 818 CZ ARG A 51 7.793 1.392 -0.122 1.00 21.15 C ATOM 819 NH1 ARG A 51 8.288 2.453 -0.682 1.00 61.02 N ATOM 820 NH2 ARG A 51 6.507 1.246 -0.059 1.00 71.31 N ATOM 0 H ARG A 51 8.446 -3.171 0.844 1.00 73.52 H new ATOM 0 HA ARG A 51 10.252 -3.976 -1.268 1.00 42.45 H new ATOM 0 HB2 ARG A 51 10.826 -1.722 -1.430 1.00 23.04 H new ATOM 0 HB3 ARG A 51 9.157 -1.670 -0.898 1.00 23.04 H new ATOM 0 HG2 ARG A 51 10.185 -1.392 1.517 1.00 72.21 H new ATOM 0 HG3 ARG A 51 11.656 -0.964 0.666 1.00 72.21 H new ATOM 0 HD2 ARG A 51 10.424 1.091 1.178 1.00 31.42 H new ATOM 0 HD3 ARG A 51 10.407 0.850 -0.558 1.00 31.42 H new ATOM 0 HE ARG A 51 8.104 -0.319 0.855 1.00 54.11 H new ATOM 0 HH11 ARG A 51 9.299 2.582 -0.726 1.00 61.02 H new ATOM 0 HH12 ARG A 51 7.666 3.158 -1.078 1.00 61.02 H new ATOM 0 HH21 ARG A 51 6.109 0.421 0.389 1.00 71.31 H new ATOM 0 HH22 ARG A 51 5.893 1.956 -0.458 1.00 71.31 H new ATOM 834 N GLU A 52 11.302 -3.983 1.820 1.00 61.13 N ATOM 835 CA GLU A 52 12.369 -4.416 2.731 1.00 2.05 C ATOM 836 C GLU A 52 12.552 -5.947 2.653 1.00 3.32 C ATOM 837 O GLU A 52 13.647 -6.457 2.907 1.00 12.11 O ATOM 838 CB GLU A 52 12.024 -3.993 4.185 1.00 61.41 C ATOM 839 CG GLU A 52 11.774 -2.481 4.385 1.00 30.52 C ATOM 840 CD GLU A 52 11.416 -2.110 5.839 1.00 74.10 C ATOM 841 OE1 GLU A 52 10.369 -2.568 6.336 1.00 21.15 O ATOM 842 OE2 GLU A 52 12.191 -1.388 6.509 1.00 52.12 O ATOM 0 H GLU A 52 10.416 -3.797 2.289 1.00 61.13 H new ATOM 0 HA GLU A 52 13.303 -3.939 2.433 1.00 2.05 H new ATOM 0 HB2 GLU A 52 11.136 -4.538 4.505 1.00 61.41 H new ATOM 0 HB3 GLU A 52 12.839 -4.301 4.840 1.00 61.41 H new ATOM 0 HG2 GLU A 52 12.665 -1.929 4.085 1.00 30.52 H new ATOM 0 HG3 GLU A 52 10.966 -2.163 3.726 1.00 30.52 H new ATOM 849 N ASP A 53 11.446 -6.655 2.306 1.00 13.52 N ATOM 850 CA ASP A 53 11.360 -8.137 2.280 1.00 21.51 C ATOM 851 C ASP A 53 11.731 -8.767 3.640 1.00 35.54 C ATOM 852 O ASP A 53 12.165 -9.921 3.714 1.00 33.13 O ATOM 853 CB ASP A 53 12.199 -8.727 1.117 1.00 20.15 C ATOM 854 CG ASP A 53 11.653 -8.308 -0.254 1.00 55.11 C ATOM 855 OD1 ASP A 53 10.611 -8.852 -0.675 1.00 52.02 O ATOM 856 OD2 ASP A 53 12.256 -7.439 -0.921 1.00 22.02 O ATOM 0 H ASP A 53 10.574 -6.203 2.032 1.00 13.52 H new ATOM 0 HA ASP A 53 10.318 -8.397 2.096 1.00 21.51 H new ATOM 0 HB2 ASP A 53 13.233 -8.397 1.212 1.00 20.15 H new ATOM 0 HB3 ASP A 53 12.204 -9.815 1.189 1.00 20.15 H new ATOM 861 N LYS A 54 11.504 -7.998 4.722 1.00 1.41 N ATOM 862 CA LYS A 54 11.737 -8.465 6.107 1.00 65.21 C ATOM 863 C LYS A 54 10.509 -9.215 6.649 1.00 54.21 C ATOM 864 O LYS A 54 10.521 -9.709 7.778 1.00 74.52 O ATOM 865 CB LYS A 54 12.133 -7.280 7.039 1.00 0.34 C ATOM 866 CG LYS A 54 13.576 -6.776 6.814 1.00 42.23 C ATOM 867 CD LYS A 54 14.086 -5.777 7.893 1.00 23.01 C ATOM 868 CE LYS A 54 13.561 -4.336 7.726 1.00 41.05 C ATOM 869 NZ LYS A 54 12.151 -4.159 8.158 1.00 2.34 N ATOM 0 H LYS A 54 11.156 -7.041 4.664 1.00 1.41 H new ATOM 0 HA LYS A 54 12.573 -9.165 6.090 1.00 65.21 H new ATOM 0 HB2 LYS A 54 11.439 -6.455 6.879 1.00 0.34 H new ATOM 0 HB3 LYS A 54 12.023 -7.592 8.078 1.00 0.34 H new ATOM 0 HG2 LYS A 54 14.247 -7.635 6.786 1.00 42.23 H new ATOM 0 HG3 LYS A 54 13.632 -6.296 5.837 1.00 42.23 H new ATOM 0 HD2 LYS A 54 13.796 -6.145 8.877 1.00 23.01 H new ATOM 0 HD3 LYS A 54 15.176 -5.759 7.868 1.00 23.01 H new ATOM 0 HE2 LYS A 54 14.195 -3.659 8.299 1.00 41.05 H new ATOM 0 HE3 LYS A 54 13.650 -4.046 6.679 1.00 41.05 H new ATOM 0 HZ1 LYS A 54 12.017 -3.193 8.519 1.00 2.34 H new ATOM 0 HZ2 LYS A 54 11.517 -4.317 7.349 1.00 2.34 H new ATOM 0 HZ3 LYS A 54 11.930 -4.843 8.910 1.00 2.34 H new ATOM 883 N VAL A 55 9.452 -9.299 5.819 1.00 10.52 N ATOM 884 CA VAL A 55 8.217 -10.034 6.138 1.00 31.00 C ATOM 885 C VAL A 55 7.830 -11.026 5.018 1.00 31.12 C ATOM 886 O VAL A 55 8.182 -10.845 3.851 1.00 31.44 O ATOM 887 CB VAL A 55 7.010 -9.065 6.392 1.00 33.05 C ATOM 888 CG1 VAL A 55 7.265 -8.171 7.626 1.00 15.12 C ATOM 889 CG2 VAL A 55 6.677 -8.234 5.124 1.00 62.51 C ATOM 0 H VAL A 55 9.433 -8.854 4.901 1.00 10.52 H new ATOM 0 HA VAL A 55 8.429 -10.590 7.051 1.00 31.00 H new ATOM 0 HB VAL A 55 6.131 -9.671 6.612 1.00 33.05 H new ATOM 0 HG11 VAL A 55 6.412 -7.509 7.778 1.00 15.12 H new ATOM 0 HG12 VAL A 55 7.400 -8.798 8.508 1.00 15.12 H new ATOM 0 HG13 VAL A 55 8.163 -7.574 7.464 1.00 15.12 H new ATOM 0 HG21 VAL A 55 5.836 -7.573 5.333 1.00 62.51 H new ATOM 0 HG22 VAL A 55 7.545 -7.639 4.841 1.00 62.51 H new ATOM 0 HG23 VAL A 55 6.415 -8.906 4.307 1.00 62.51 H new ATOM 899 N VAL A 56 7.122 -12.092 5.414 1.00 41.21 N ATOM 900 CA VAL A 56 6.434 -13.013 4.501 1.00 41.53 C ATOM 901 C VAL A 56 4.901 -12.906 4.709 1.00 1.41 C ATOM 902 O VAL A 56 4.401 -12.981 5.837 1.00 5.41 O ATOM 903 CB VAL A 56 6.966 -14.497 4.660 1.00 11.12 C ATOM 904 CG1 VAL A 56 6.934 -14.973 6.132 1.00 74.21 C ATOM 905 CG2 VAL A 56 6.211 -15.480 3.722 1.00 5.41 C ATOM 0 H VAL A 56 7.010 -12.343 6.396 1.00 41.21 H new ATOM 0 HA VAL A 56 6.655 -12.725 3.473 1.00 41.53 H new ATOM 0 HB VAL A 56 8.012 -14.493 4.353 1.00 11.12 H new ATOM 0 HG11 VAL A 56 7.307 -15.995 6.192 1.00 74.21 H new ATOM 0 HG12 VAL A 56 7.562 -14.321 6.739 1.00 74.21 H new ATOM 0 HG13 VAL A 56 5.910 -14.939 6.503 1.00 74.21 H new ATOM 0 HG21 VAL A 56 6.603 -16.488 3.859 1.00 5.41 H new ATOM 0 HG22 VAL A 56 5.148 -15.469 3.963 1.00 5.41 H new ATOM 0 HG23 VAL A 56 6.352 -15.174 2.685 1.00 5.41 H new ATOM 915 N THR A 57 4.172 -12.682 3.601 1.00 61.32 N ATOM 916 CA THR A 57 2.711 -12.439 3.607 1.00 62.24 C ATOM 917 C THR A 57 1.945 -13.674 3.089 1.00 62.24 C ATOM 918 O THR A 57 2.304 -14.244 2.059 1.00 33.45 O ATOM 919 CB THR A 57 2.340 -11.204 2.714 1.00 72.34 C ATOM 920 OG1 THR A 57 2.839 -11.388 1.373 1.00 2.02 O ATOM 921 CG2 THR A 57 2.888 -9.883 3.282 1.00 15.33 C ATOM 0 H THR A 57 4.580 -12.664 2.666 1.00 61.32 H new ATOM 0 HA THR A 57 2.423 -12.238 4.639 1.00 62.24 H new ATOM 0 HB THR A 57 1.252 -11.139 2.704 1.00 72.34 H new ATOM 0 HG1 THR A 57 2.761 -12.332 1.122 1.00 2.02 H new ATOM 0 HG21 THR A 57 2.604 -9.060 2.627 1.00 15.33 H new ATOM 0 HG22 THR A 57 2.474 -9.715 4.276 1.00 15.33 H new ATOM 0 HG23 THR A 57 3.975 -9.937 3.346 1.00 15.33 H new ATOM 929 N SER A 58 0.888 -14.068 3.812 1.00 74.21 N ATOM 930 CA SER A 58 -0.032 -15.159 3.408 1.00 12.04 C ATOM 931 C SER A 58 -1.476 -14.632 3.322 1.00 13.12 C ATOM 932 O SER A 58 -1.902 -13.819 4.149 1.00 51.11 O ATOM 933 CB SER A 58 0.040 -16.337 4.410 1.00 25.23 C ATOM 934 OG SER A 58 -0.806 -17.412 4.016 1.00 60.32 O ATOM 0 H SER A 58 0.639 -13.639 4.703 1.00 74.21 H new ATOM 0 HA SER A 58 0.276 -15.519 2.426 1.00 12.04 H new ATOM 0 HB2 SER A 58 1.068 -16.691 4.484 1.00 25.23 H new ATOM 0 HB3 SER A 58 -0.249 -15.990 5.402 1.00 25.23 H new ATOM 0 HG SER A 58 -0.736 -18.140 4.669 1.00 60.32 H new ATOM 940 N GLU A 59 -2.239 -15.134 2.343 1.00 3.55 N ATOM 941 CA GLU A 59 -3.611 -14.660 2.071 1.00 23.13 C ATOM 942 C GLU A 59 -4.621 -15.574 2.797 1.00 60.25 C ATOM 943 O GLU A 59 -4.866 -16.710 2.380 1.00 62.01 O ATOM 944 CB GLU A 59 -3.877 -14.638 0.538 1.00 71.24 C ATOM 945 CG GLU A 59 -5.307 -14.211 0.137 1.00 23.21 C ATOM 946 CD GLU A 59 -5.530 -14.152 -1.384 1.00 42.52 C ATOM 947 OE1 GLU A 59 -5.134 -15.102 -2.092 1.00 20.10 O ATOM 948 OE2 GLU A 59 -6.117 -13.169 -1.879 1.00 75.25 O ATOM 0 H GLU A 59 -1.929 -15.877 1.717 1.00 3.55 H new ATOM 0 HA GLU A 59 -3.728 -13.643 2.445 1.00 23.13 H new ATOM 0 HB2 GLU A 59 -3.165 -13.959 0.069 1.00 71.24 H new ATOM 0 HB3 GLU A 59 -3.683 -15.632 0.135 1.00 71.24 H new ATOM 0 HG2 GLU A 59 -6.021 -14.909 0.573 1.00 23.21 H new ATOM 0 HG3 GLU A 59 -5.518 -13.231 0.565 1.00 23.21 H new ATOM 955 N VAL A 60 -5.174 -15.064 3.914 1.00 20.21 N ATOM 956 CA VAL A 60 -6.119 -15.814 4.773 1.00 11.14 C ATOM 957 C VAL A 60 -7.534 -15.201 4.672 1.00 23.30 C ATOM 958 O VAL A 60 -7.783 -14.099 5.179 1.00 42.45 O ATOM 959 CB VAL A 60 -5.624 -15.842 6.281 1.00 45.43 C ATOM 960 CG1 VAL A 60 -6.704 -16.396 7.261 1.00 72.43 C ATOM 961 CG2 VAL A 60 -4.314 -16.659 6.399 1.00 3.35 C ATOM 0 H VAL A 60 -4.980 -14.120 4.249 1.00 20.21 H new ATOM 0 HA VAL A 60 -6.159 -16.844 4.419 1.00 11.14 H new ATOM 0 HB VAL A 60 -5.435 -14.809 6.574 1.00 45.43 H new ATOM 0 HG11 VAL A 60 -6.310 -16.392 8.277 1.00 72.43 H new ATOM 0 HG12 VAL A 60 -7.594 -15.768 7.214 1.00 72.43 H new ATOM 0 HG13 VAL A 60 -6.964 -17.416 6.977 1.00 72.43 H new ATOM 0 HG21 VAL A 60 -3.985 -16.671 7.438 1.00 3.35 H new ATOM 0 HG22 VAL A 60 -4.491 -17.681 6.063 1.00 3.35 H new ATOM 0 HG23 VAL A 60 -3.543 -16.202 5.779 1.00 3.35 H new ATOM 971 N GLU A 61 -8.441 -15.943 3.993 1.00 72.14 N ATOM 972 CA GLU A 61 -9.896 -15.655 3.928 1.00 3.32 C ATOM 973 C GLU A 61 -10.208 -14.241 3.354 1.00 24.24 C ATOM 974 O GLU A 61 -11.141 -13.560 3.804 1.00 54.12 O ATOM 975 CB GLU A 61 -10.525 -15.862 5.342 1.00 14.44 C ATOM 976 CG GLU A 61 -10.198 -17.222 5.998 1.00 71.10 C ATOM 977 CD GLU A 61 -10.865 -17.404 7.372 1.00 41.13 C ATOM 978 OE1 GLU A 61 -12.090 -17.663 7.421 1.00 43.13 O ATOM 979 OE2 GLU A 61 -10.178 -17.279 8.409 1.00 72.44 O ATOM 0 H GLU A 61 -8.178 -16.775 3.465 1.00 72.14 H new ATOM 0 HA GLU A 61 -10.350 -16.356 3.228 1.00 3.32 H new ATOM 0 HB2 GLU A 61 -10.180 -15.064 5.999 1.00 14.44 H new ATOM 0 HB3 GLU A 61 -11.608 -15.763 5.262 1.00 14.44 H new ATOM 0 HG2 GLU A 61 -10.520 -18.025 5.335 1.00 71.10 H new ATOM 0 HG3 GLU A 61 -9.118 -17.314 6.110 1.00 71.10 H new ATOM 986 N GLY A 62 -9.430 -13.830 2.330 1.00 62.03 N ATOM 987 CA GLY A 62 -9.575 -12.502 1.694 1.00 10.21 C ATOM 988 C GLY A 62 -8.870 -11.350 2.436 1.00 24.32 C ATOM 989 O GLY A 62 -8.888 -10.207 1.970 1.00 72.34 O ATOM 0 H GLY A 62 -8.690 -14.403 1.924 1.00 62.03 H new ATOM 0 HA2 GLY A 62 -9.182 -12.556 0.679 1.00 10.21 H new ATOM 0 HA3 GLY A 62 -10.636 -12.268 1.613 1.00 10.21 H new ATOM 993 N GLU A 63 -8.239 -11.652 3.587 1.00 31.22 N ATOM 994 CA GLU A 63 -7.568 -10.641 4.446 1.00 13.33 C ATOM 995 C GLU A 63 -6.041 -10.856 4.507 1.00 2.12 C ATOM 996 O GLU A 63 -5.530 -11.949 4.218 1.00 12.42 O ATOM 997 CB GLU A 63 -8.161 -10.657 5.882 1.00 44.03 C ATOM 998 CG GLU A 63 -9.638 -10.232 5.963 1.00 20.45 C ATOM 999 CD GLU A 63 -10.156 -10.142 7.402 1.00 11.10 C ATOM 1000 OE1 GLU A 63 -9.820 -9.159 8.098 1.00 22.14 O ATOM 1001 OE2 GLU A 63 -10.895 -11.047 7.850 1.00 61.11 O ATOM 0 H GLU A 63 -8.177 -12.602 3.953 1.00 31.22 H new ATOM 0 HA GLU A 63 -7.752 -9.667 3.993 1.00 13.33 H new ATOM 0 HB2 GLU A 63 -8.061 -11.662 6.292 1.00 44.03 H new ATOM 0 HB3 GLU A 63 -7.569 -9.995 6.514 1.00 44.03 H new ATOM 0 HG2 GLU A 63 -9.759 -9.264 5.478 1.00 20.45 H new ATOM 0 HG3 GLU A 63 -10.247 -10.945 5.407 1.00 20.45 H new ATOM 1008 N ILE A 64 -5.327 -9.785 4.901 1.00 51.21 N ATOM 1009 CA ILE A 64 -3.857 -9.784 5.001 1.00 41.01 C ATOM 1010 C ILE A 64 -3.378 -10.392 6.340 1.00 62.44 C ATOM 1011 O ILE A 64 -3.639 -9.843 7.412 1.00 35.21 O ATOM 1012 CB ILE A 64 -3.279 -8.325 4.823 1.00 25.13 C ATOM 1013 CG1 ILE A 64 -3.683 -7.759 3.420 1.00 50.10 C ATOM 1014 CG2 ILE A 64 -1.737 -8.278 5.031 1.00 32.23 C ATOM 1015 CD1 ILE A 64 -3.193 -6.350 3.114 1.00 12.40 C ATOM 0 H ILE A 64 -5.754 -8.896 5.159 1.00 51.21 H new ATOM 0 HA ILE A 64 -3.477 -10.409 4.193 1.00 41.01 H new ATOM 0 HB ILE A 64 -3.715 -7.692 5.596 1.00 25.13 H new ATOM 0 HG12 ILE A 64 -3.301 -8.432 2.653 1.00 50.10 H new ATOM 0 HG13 ILE A 64 -4.770 -7.771 3.342 1.00 50.10 H new ATOM 0 HG21 ILE A 64 -1.383 -7.256 4.899 1.00 32.23 H new ATOM 0 HG22 ILE A 64 -1.495 -8.619 6.038 1.00 32.23 H new ATOM 0 HG23 ILE A 64 -1.252 -8.927 4.302 1.00 32.23 H new ATOM 0 HD11 ILE A 64 -3.528 -6.056 2.119 1.00 12.40 H new ATOM 0 HD12 ILE A 64 -3.596 -5.656 3.852 1.00 12.40 H new ATOM 0 HD13 ILE A 64 -2.104 -6.327 3.152 1.00 12.40 H new ATOM 1027 N PHE A 65 -2.705 -11.549 6.245 1.00 4.03 N ATOM 1028 CA PHE A 65 -1.903 -12.131 7.342 1.00 32.24 C ATOM 1029 C PHE A 65 -0.418 -11.935 6.987 1.00 42.45 C ATOM 1030 O PHE A 65 0.003 -12.263 5.878 1.00 53.20 O ATOM 1031 CB PHE A 65 -2.228 -13.640 7.542 1.00 21.21 C ATOM 1032 CG PHE A 65 -1.311 -14.356 8.545 1.00 72.35 C ATOM 1033 CD1 PHE A 65 -1.418 -14.109 9.911 1.00 35.24 C ATOM 1034 CD2 PHE A 65 -0.318 -15.248 8.115 1.00 31.23 C ATOM 1035 CE1 PHE A 65 -0.578 -14.732 10.814 1.00 12.45 C ATOM 1036 CE2 PHE A 65 0.525 -15.864 9.022 1.00 74.42 C ATOM 1037 CZ PHE A 65 0.395 -15.605 10.370 1.00 51.14 C ATOM 0 H PHE A 65 -2.700 -12.116 5.397 1.00 4.03 H new ATOM 0 HA PHE A 65 -2.140 -11.632 8.281 1.00 32.24 H new ATOM 0 HB2 PHE A 65 -3.260 -13.736 7.879 1.00 21.21 H new ATOM 0 HB3 PHE A 65 -2.158 -14.146 6.579 1.00 21.21 H new ATOM 0 HD1 PHE A 65 -2.169 -13.420 10.270 1.00 35.24 H new ATOM 0 HD2 PHE A 65 -0.210 -15.457 7.061 1.00 31.23 H new ATOM 0 HE1 PHE A 65 -0.683 -14.535 11.871 1.00 12.45 H new ATOM 0 HE2 PHE A 65 1.285 -16.548 8.674 1.00 74.42 H new ATOM 0 HZ PHE A 65 1.054 -16.085 11.078 1.00 51.14 H new ATOM 1047 N VAL A 66 0.362 -11.375 7.912 1.00 4.24 N ATOM 1048 CA VAL A 66 1.794 -11.092 7.681 1.00 60.21 C ATOM 1049 C VAL A 66 2.641 -11.419 8.942 1.00 22.21 C ATOM 1050 O VAL A 66 2.186 -11.234 10.078 1.00 3.31 O ATOM 1051 CB VAL A 66 1.981 -9.596 7.200 1.00 35.50 C ATOM 1052 CG1 VAL A 66 1.371 -8.585 8.196 1.00 22.24 C ATOM 1053 CG2 VAL A 66 3.459 -9.270 6.898 1.00 3.34 C ATOM 0 H VAL A 66 0.030 -11.104 8.838 1.00 4.24 H new ATOM 0 HA VAL A 66 2.160 -11.742 6.886 1.00 60.21 H new ATOM 0 HB VAL A 66 1.429 -9.497 6.265 1.00 35.50 H new ATOM 0 HG11 VAL A 66 1.523 -7.572 7.825 1.00 22.24 H new ATOM 0 HG12 VAL A 66 0.303 -8.777 8.301 1.00 22.24 H new ATOM 0 HG13 VAL A 66 1.856 -8.692 9.166 1.00 22.24 H new ATOM 0 HG21 VAL A 66 3.544 -8.234 6.571 1.00 3.34 H new ATOM 0 HG22 VAL A 66 4.055 -9.416 7.799 1.00 3.34 H new ATOM 0 HG23 VAL A 66 3.824 -9.930 6.111 1.00 3.34 H new ATOM 1063 N LYS A 67 3.868 -11.945 8.727 1.00 31.14 N ATOM 1064 CA LYS A 67 4.853 -12.211 9.811 1.00 33.10 C ATOM 1065 C LYS A 67 6.265 -11.907 9.308 1.00 51.35 C ATOM 1066 O LYS A 67 6.450 -11.746 8.114 1.00 21.13 O ATOM 1067 CB LYS A 67 4.765 -13.683 10.301 1.00 75.33 C ATOM 1068 CG LYS A 67 5.126 -14.768 9.263 1.00 44.03 C ATOM 1069 CD LYS A 67 5.037 -16.203 9.845 1.00 22.33 C ATOM 1070 CE LYS A 67 5.993 -16.435 11.038 1.00 12.15 C ATOM 1071 NZ LYS A 67 5.843 -17.793 11.624 1.00 55.13 N ATOM 0 H LYS A 67 4.207 -12.198 7.799 1.00 31.14 H new ATOM 0 HA LYS A 67 4.620 -11.562 10.655 1.00 33.10 H new ATOM 0 HB2 LYS A 67 5.425 -13.798 11.161 1.00 75.33 H new ATOM 0 HB3 LYS A 67 3.749 -13.868 10.651 1.00 75.33 H new ATOM 0 HG2 LYS A 67 4.456 -14.685 8.408 1.00 44.03 H new ATOM 0 HG3 LYS A 67 6.137 -14.591 8.895 1.00 44.03 H new ATOM 0 HD2 LYS A 67 4.013 -16.396 10.165 1.00 22.33 H new ATOM 0 HD3 LYS A 67 5.266 -16.922 9.059 1.00 22.33 H new ATOM 0 HE2 LYS A 67 7.023 -16.295 10.708 1.00 12.15 H new ATOM 0 HE3 LYS A 67 5.800 -15.686 11.807 1.00 12.15 H new ATOM 0 HZ1 LYS A 67 6.196 -17.790 12.602 1.00 55.13 H new ATOM 0 HZ2 LYS A 67 4.839 -18.064 11.620 1.00 55.13 H new ATOM 0 HZ3 LYS A 67 6.389 -18.476 11.061 1.00 55.13 H new ATOM 1085 N LEU A 68 7.262 -11.838 10.205 1.00 44.35 N ATOM 1086 CA LEU A 68 8.674 -11.686 9.784 1.00 52.35 C ATOM 1087 C LEU A 68 9.187 -12.963 9.078 1.00 14.23 C ATOM 1088 O LEU A 68 8.736 -14.081 9.379 1.00 24.35 O ATOM 1089 CB LEU A 68 9.607 -11.351 10.981 1.00 53.41 C ATOM 1090 CG LEU A 68 9.333 -10.018 11.752 1.00 5.13 C ATOM 1091 CD1 LEU A 68 10.501 -9.675 12.701 1.00 1.15 C ATOM 1092 CD2 LEU A 68 9.029 -8.847 10.798 1.00 52.34 C ATOM 0 H LEU A 68 7.125 -11.884 11.215 1.00 44.35 H new ATOM 0 HA LEU A 68 8.699 -10.851 9.084 1.00 52.35 H new ATOM 0 HB2 LEU A 68 9.548 -12.172 11.695 1.00 53.41 H new ATOM 0 HB3 LEU A 68 10.632 -11.323 10.612 1.00 53.41 H new ATOM 0 HG LEU A 68 8.440 -10.176 12.357 1.00 5.13 H new ATOM 0 HD11 LEU A 68 10.283 -8.744 13.224 1.00 1.15 H new ATOM 0 HD12 LEU A 68 10.628 -10.478 13.427 1.00 1.15 H new ATOM 0 HD13 LEU A 68 11.418 -9.561 12.123 1.00 1.15 H new ATOM 0 HD21 LEU A 68 8.845 -7.943 11.379 1.00 52.34 H new ATOM 0 HD22 LEU A 68 9.880 -8.687 10.136 1.00 52.34 H new ATOM 0 HD23 LEU A 68 8.146 -9.082 10.203 1.00 52.34 H new ATOM 1104 N VAL A 69 10.125 -12.776 8.132 1.00 61.45 N ATOM 1105 CA VAL A 69 10.864 -13.893 7.511 1.00 2.02 C ATOM 1106 C VAL A 69 11.748 -14.578 8.575 1.00 21.52 C ATOM 1107 O VAL A 69 12.728 -13.994 9.050 1.00 53.01 O ATOM 1108 CB VAL A 69 11.763 -13.404 6.308 1.00 53.45 C ATOM 1109 CG1 VAL A 69 12.638 -14.551 5.722 1.00 63.53 C ATOM 1110 CG2 VAL A 69 10.904 -12.746 5.207 1.00 14.31 C ATOM 0 H VAL A 69 10.391 -11.857 7.779 1.00 61.45 H new ATOM 0 HA VAL A 69 10.135 -14.600 7.115 1.00 2.02 H new ATOM 0 HB VAL A 69 12.446 -12.653 6.705 1.00 53.45 H new ATOM 0 HG11 VAL A 69 13.238 -14.166 4.898 1.00 63.53 H new ATOM 0 HG12 VAL A 69 13.296 -14.940 6.499 1.00 63.53 H new ATOM 0 HG13 VAL A 69 11.993 -15.351 5.358 1.00 63.53 H new ATOM 0 HG21 VAL A 69 11.548 -12.418 4.391 1.00 14.31 H new ATOM 0 HG22 VAL A 69 10.180 -13.468 4.831 1.00 14.31 H new ATOM 0 HG23 VAL A 69 10.378 -11.886 5.621 1.00 14.31 H new ATOM 1120 N LEU A 70 11.359 -15.793 8.987 1.00 11.51 N ATOM 1121 CA LEU A 70 12.165 -16.599 9.914 1.00 42.24 C ATOM 1122 C LEU A 70 13.382 -17.178 9.157 1.00 53.24 C ATOM 1123 O LEU A 70 13.311 -18.272 8.602 1.00 74.52 O ATOM 1124 CB LEU A 70 11.304 -17.720 10.568 1.00 12.54 C ATOM 1125 CG LEU A 70 10.058 -17.241 11.387 1.00 54.21 C ATOM 1126 CD1 LEU A 70 9.283 -18.438 11.981 1.00 53.11 C ATOM 1127 CD2 LEU A 70 10.456 -16.222 12.487 1.00 64.23 C ATOM 0 H LEU A 70 10.490 -16.239 8.692 1.00 11.51 H new ATOM 0 HA LEU A 70 12.528 -15.968 10.725 1.00 42.24 H new ATOM 0 HB2 LEU A 70 10.960 -18.392 9.781 1.00 12.54 H new ATOM 0 HB3 LEU A 70 11.945 -18.304 11.228 1.00 12.54 H new ATOM 0 HG LEU A 70 9.391 -16.727 10.695 1.00 54.21 H new ATOM 0 HD11 LEU A 70 8.424 -18.072 12.544 1.00 53.11 H new ATOM 0 HD12 LEU A 70 8.939 -19.085 11.174 1.00 53.11 H new ATOM 0 HD13 LEU A 70 9.938 -19.002 12.645 1.00 53.11 H new ATOM 0 HD21 LEU A 70 9.566 -15.912 13.035 1.00 64.23 H new ATOM 0 HD22 LEU A 70 11.162 -16.687 13.175 1.00 64.23 H new ATOM 0 HD23 LEU A 70 10.920 -15.350 12.025 1.00 64.23 H new ATOM 1139 N GLU A 71 14.466 -16.377 9.082 1.00 13.01 N ATOM 1140 CA GLU A 71 15.726 -16.753 8.392 1.00 33.52 C ATOM 1141 C GLU A 71 16.367 -18.001 9.041 1.00 2.51 C ATOM 1142 O GLU A 71 16.877 -18.901 8.358 1.00 61.21 O ATOM 1143 CB GLU A 71 16.718 -15.556 8.449 1.00 64.22 C ATOM 1144 CG GLU A 71 18.080 -15.795 7.759 1.00 61.33 C ATOM 1145 CD GLU A 71 19.093 -14.668 8.017 1.00 64.54 C ATOM 1146 OE1 GLU A 71 19.001 -13.607 7.362 1.00 4.25 O ATOM 1147 OE2 GLU A 71 19.977 -14.830 8.892 1.00 71.32 O ATOM 0 H GLU A 71 14.495 -15.447 9.499 1.00 13.01 H new ATOM 0 HA GLU A 71 15.496 -16.996 7.354 1.00 33.52 H new ATOM 0 HB2 GLU A 71 16.243 -14.689 7.989 1.00 64.22 H new ATOM 0 HB3 GLU A 71 16.898 -15.304 9.494 1.00 64.22 H new ATOM 0 HG2 GLU A 71 18.498 -16.738 8.110 1.00 61.33 H new ATOM 0 HG3 GLU A 71 17.924 -15.896 6.685 1.00 61.33 H new ATOM 1154 N HIS A 72 16.317 -18.030 10.375 1.00 13.14 N ATOM 1155 CA HIS A 72 16.909 -19.097 11.190 1.00 0.24 C ATOM 1156 C HIS A 72 15.849 -20.202 11.439 1.00 53.23 C ATOM 1157 O HIS A 72 14.859 -19.975 12.138 1.00 0.34 O ATOM 1158 CB HIS A 72 17.427 -18.486 12.517 1.00 22.13 C ATOM 1159 CG HIS A 72 18.347 -17.299 12.322 1.00 62.33 C ATOM 1160 ND1 HIS A 72 19.705 -17.421 12.143 1.00 0.53 N ATOM 1161 CD2 HIS A 72 18.088 -15.965 12.253 1.00 63.20 C ATOM 1162 CE1 HIS A 72 20.237 -16.229 11.973 1.00 40.53 C ATOM 1163 NE2 HIS A 72 19.283 -15.327 12.032 1.00 50.22 N ATOM 0 H HIS A 72 15.859 -17.305 10.927 1.00 13.14 H new ATOM 0 HA HIS A 72 17.752 -19.555 10.673 1.00 0.24 H new ATOM 0 HB2 HIS A 72 16.574 -18.178 13.122 1.00 22.13 H new ATOM 0 HB3 HIS A 72 17.956 -19.256 13.079 1.00 22.13 H new ATOM 0 HD2 HIS A 72 17.121 -15.495 12.354 1.00 63.20 H new ATOM 0 HE1 HIS A 72 21.285 -16.026 11.812 1.00 40.53 H new ATOM 0 HE2 HIS A 72 19.410 -14.320 11.930 1.00 50.22 H new ATOM 1172 N HIS A 73 16.052 -21.384 10.823 1.00 41.24 N ATOM 1173 CA HIS A 73 15.097 -22.521 10.886 1.00 54.53 C ATOM 1174 C HIS A 73 15.622 -23.639 11.833 1.00 3.34 C ATOM 1175 O HIS A 73 15.881 -24.770 11.405 1.00 5.33 O ATOM 1176 CB HIS A 73 14.850 -23.076 9.452 1.00 22.45 C ATOM 1177 CG HIS A 73 14.382 -22.051 8.446 1.00 2.45 C ATOM 1178 ND1 HIS A 73 15.184 -21.560 7.435 1.00 44.01 N ATOM 1179 CD2 HIS A 73 13.186 -21.435 8.292 1.00 61.42 C ATOM 1180 CE1 HIS A 73 14.505 -20.693 6.712 1.00 24.14 C ATOM 1181 NE2 HIS A 73 13.290 -20.599 7.206 1.00 22.33 N ATOM 0 H HIS A 73 16.883 -21.583 10.266 1.00 41.24 H new ATOM 0 HA HIS A 73 14.151 -22.164 11.294 1.00 54.53 H new ATOM 0 HB2 HIS A 73 15.774 -23.526 9.088 1.00 22.45 H new ATOM 0 HB3 HIS A 73 14.108 -23.873 9.509 1.00 22.45 H new ATOM 0 HD2 HIS A 73 12.311 -21.575 8.909 1.00 61.42 H new ATOM 0 HE1 HIS A 73 14.883 -20.151 5.858 1.00 24.14 H new ATOM 0 HE2 HIS A 73 12.546 -20.003 6.843 1.00 22.33 H new ATOM 1190 N HIS A 74 15.780 -23.302 13.126 1.00 43.41 N ATOM 1191 CA HIS A 74 16.253 -24.255 14.162 1.00 32.42 C ATOM 1192 C HIS A 74 15.072 -25.078 14.735 1.00 60.04 C ATOM 1193 O HIS A 74 14.326 -24.607 15.600 1.00 2.20 O ATOM 1194 CB HIS A 74 17.000 -23.498 15.290 1.00 64.43 C ATOM 1195 CG HIS A 74 18.262 -22.819 14.837 1.00 25.21 C ATOM 1196 ND1 HIS A 74 19.503 -23.399 14.960 1.00 35.13 N ATOM 1197 CD2 HIS A 74 18.477 -21.605 14.276 1.00 11.03 C ATOM 1198 CE1 HIS A 74 20.421 -22.581 14.503 1.00 13.34 C ATOM 1199 NE2 HIS A 74 19.828 -21.487 14.084 1.00 35.12 N ATOM 0 H HIS A 74 15.586 -22.368 13.487 1.00 43.41 H new ATOM 0 HA HIS A 74 16.950 -24.952 13.697 1.00 32.42 H new ATOM 0 HB2 HIS A 74 16.331 -22.751 15.718 1.00 64.43 H new ATOM 0 HB3 HIS A 74 17.243 -24.201 16.086 1.00 64.43 H new ATOM 0 HD2 HIS A 74 17.726 -20.870 14.027 1.00 11.03 H new ATOM 0 HE1 HIS A 74 21.483 -22.774 14.476 1.00 13.34 H new ATOM 0 HE2 HIS A 74 20.299 -20.678 13.680 1.00 35.12 H new ATOM 1208 N HIS A 75 14.893 -26.300 14.197 1.00 12.33 N ATOM 1209 CA HIS A 75 13.847 -27.257 14.632 1.00 5.22 C ATOM 1210 C HIS A 75 14.512 -28.521 15.239 1.00 61.43 C ATOM 1211 O HIS A 75 15.244 -29.234 14.545 1.00 14.35 O ATOM 1212 CB HIS A 75 12.947 -27.641 13.431 1.00 73.43 C ATOM 1213 CG HIS A 75 12.346 -26.459 12.719 1.00 52.23 C ATOM 1214 ND1 HIS A 75 11.322 -25.703 13.245 1.00 45.42 N ATOM 1215 CD2 HIS A 75 12.649 -25.891 11.526 1.00 62.24 C ATOM 1216 CE1 HIS A 75 11.022 -24.730 12.412 1.00 53.12 C ATOM 1217 NE2 HIS A 75 11.810 -24.817 11.359 1.00 3.22 N ATOM 0 H HIS A 75 15.475 -26.658 13.440 1.00 12.33 H new ATOM 0 HA HIS A 75 13.225 -26.788 15.394 1.00 5.22 H new ATOM 0 HB2 HIS A 75 13.535 -28.221 12.720 1.00 73.43 H new ATOM 0 HB3 HIS A 75 12.144 -28.288 13.783 1.00 73.43 H new ATOM 0 HD2 HIS A 75 13.410 -26.222 10.835 1.00 62.24 H new ATOM 0 HE1 HIS A 75 10.257 -23.984 12.566 1.00 53.12 H new ATOM 0 HE2 HIS A 75 11.798 -24.191 10.554 1.00 3.22 H new ATOM 1226 N HIS A 76 14.240 -28.787 16.531 1.00 73.25 N ATOM 1227 CA HIS A 76 14.912 -29.866 17.310 1.00 21.44 C ATOM 1228 C HIS A 76 14.593 -31.289 16.773 1.00 12.20 C ATOM 1229 O HIS A 76 15.444 -32.186 16.833 1.00 23.30 O ATOM 1230 CB HIS A 76 14.519 -29.755 18.805 1.00 11.14 C ATOM 1231 CG HIS A 76 14.775 -28.391 19.399 1.00 73.30 C ATOM 1232 ND1 HIS A 76 13.775 -27.460 19.608 1.00 31.44 N ATOM 1233 CD2 HIS A 76 15.922 -27.797 19.815 1.00 43.23 C ATOM 1234 CE1 HIS A 76 14.294 -26.364 20.121 1.00 0.01 C ATOM 1235 NE2 HIS A 76 15.588 -26.542 20.259 1.00 2.24 N ATOM 0 H HIS A 76 13.550 -28.265 17.071 1.00 73.25 H new ATOM 0 HA HIS A 76 15.987 -29.724 17.196 1.00 21.44 H new ATOM 0 HB2 HIS A 76 13.461 -29.996 18.913 1.00 11.14 H new ATOM 0 HB3 HIS A 76 15.075 -30.500 19.374 1.00 11.14 H new ATOM 0 HD2 HIS A 76 16.911 -28.230 19.800 1.00 43.23 H new ATOM 0 HE1 HIS A 76 13.748 -25.470 20.384 1.00 0.01 H new ATOM 0 HE2 HIS A 76 16.242 -25.856 20.637 1.00 2.24 H new ATOM 1244 N HIS A 77 13.363 -31.482 16.259 1.00 22.31 N ATOM 1245 CA HIS A 77 12.918 -32.777 15.684 1.00 4.21 C ATOM 1246 C HIS A 77 13.663 -33.106 14.366 1.00 2.05 C ATOM 1247 O HIS A 77 13.370 -34.107 13.699 1.00 4.03 O ATOM 1248 CB HIS A 77 11.379 -32.763 15.471 1.00 44.41 C ATOM 1249 CG HIS A 77 10.866 -31.643 14.596 1.00 32.44 C ATOM 1250 ND1 HIS A 77 10.307 -30.490 15.105 1.00 14.11 N ATOM 1251 CD2 HIS A 77 10.802 -31.516 13.245 1.00 52.51 C ATOM 1252 CE1 HIS A 77 9.926 -29.710 14.118 1.00 11.52 C ATOM 1253 NE2 HIS A 77 10.215 -30.304 12.982 1.00 71.00 N ATOM 0 H HIS A 77 12.650 -30.753 16.228 1.00 22.31 H new ATOM 0 HA HIS A 77 13.166 -33.567 16.393 1.00 4.21 H new ATOM 0 HB2 HIS A 77 11.080 -33.714 15.031 1.00 44.41 H new ATOM 0 HB3 HIS A 77 10.893 -32.695 16.444 1.00 44.41 H new ATOM 0 HD2 HIS A 77 11.148 -32.234 12.516 1.00 52.51 H new ATOM 0 HE1 HIS A 77 9.455 -28.744 14.223 1.00 11.52 H new ATOM 0 HE2 HIS A 77 10.032 -29.925 12.053 1.00 71.00 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 -1.118 -20.286 -5.600 1.00 75.43 N ATOM 1264 CA MET B 1 -0.129 -19.662 -6.480 1.00 3.45 C ATOM 1265 C MET B 1 -0.196 -18.120 -6.381 1.00 72.24 C ATOM 1266 O MET B 1 0.832 -17.449 -6.250 1.00 22.14 O ATOM 1267 CB MET B 1 -0.346 -20.130 -7.943 1.00 32.44 C ATOM 1268 CG MET B 1 -0.110 -21.632 -8.204 1.00 2.11 C ATOM 1269 SD MET B 1 1.627 -22.132 -8.020 1.00 4.43 S ATOM 1270 CE MET B 1 1.707 -22.769 -6.339 1.00 4.44 C ATOM 0 H1 MET B 1 -0.656 -21.018 -5.023 1.00 75.43 H new ATOM 0 H2 MET B 1 -1.533 -19.564 -4.977 1.00 75.43 H new ATOM 0 H3 MET B 1 -1.869 -20.720 -6.174 1.00 75.43 H new ATOM 0 HA MET B 1 0.865 -19.973 -6.159 1.00 3.45 H new ATOM 0 HB2 MET B 1 -1.367 -19.884 -8.237 1.00 32.44 H new ATOM 0 HB3 MET B 1 0.318 -19.558 -8.591 1.00 32.44 H new ATOM 0 HG2 MET B 1 -0.723 -22.214 -7.515 1.00 2.11 H new ATOM 0 HG3 MET B 1 -0.446 -21.875 -9.212 1.00 2.11 H new ATOM 0 HE1 MET B 1 2.695 -22.572 -5.922 1.00 4.44 H new ATOM 0 HE2 MET B 1 0.950 -22.278 -5.727 1.00 4.44 H new ATOM 0 HE3 MET B 1 1.524 -23.844 -6.348 1.00 4.44 H new ATOM 1280 N LYS B 2 -1.417 -17.562 -6.447 1.00 4.32 N ATOM 1281 CA LYS B 2 -1.629 -16.096 -6.384 1.00 2.52 C ATOM 1282 C LYS B 2 -1.552 -15.581 -4.923 1.00 44.40 C ATOM 1283 O LYS B 2 -2.046 -16.240 -4.000 1.00 51.21 O ATOM 1284 CB LYS B 2 -2.974 -15.710 -7.050 1.00 50.22 C ATOM 1285 CG LYS B 2 -3.118 -16.193 -8.518 1.00 0.41 C ATOM 1286 CD LYS B 2 -4.326 -15.567 -9.257 1.00 2.24 C ATOM 1287 CE LYS B 2 -4.165 -14.047 -9.478 1.00 24.52 C ATOM 1288 NZ LYS B 2 -2.961 -13.712 -10.286 1.00 44.12 N ATOM 0 H LYS B 2 -2.277 -18.101 -6.544 1.00 4.32 H new ATOM 0 HA LYS B 2 -0.827 -15.612 -6.942 1.00 2.52 H new ATOM 0 HB2 LYS B 2 -3.791 -16.126 -6.461 1.00 50.22 H new ATOM 0 HB3 LYS B 2 -3.082 -14.626 -7.024 1.00 50.22 H new ATOM 0 HG2 LYS B 2 -2.205 -15.953 -9.063 1.00 0.41 H new ATOM 0 HG3 LYS B 2 -3.219 -17.278 -8.527 1.00 0.41 H new ATOM 0 HD2 LYS B 2 -4.452 -16.059 -10.221 1.00 2.24 H new ATOM 0 HD3 LYS B 2 -5.234 -15.753 -8.683 1.00 2.24 H new ATOM 0 HE2 LYS B 2 -5.053 -13.660 -9.978 1.00 24.52 H new ATOM 0 HE3 LYS B 2 -4.100 -13.548 -8.511 1.00 24.52 H new ATOM 0 HZ1 LYS B 2 -3.045 -12.741 -10.648 1.00 44.12 H new ATOM 0 HZ2 LYS B 2 -2.112 -13.787 -9.691 1.00 44.12 H new ATOM 0 HZ3 LYS B 2 -2.884 -14.374 -11.085 1.00 44.12 H new ATOM 1302 N MET B 3 -0.945 -14.388 -4.728 1.00 32.11 N ATOM 1303 CA MET B 3 -0.557 -13.890 -3.377 1.00 1.15 C ATOM 1304 C MET B 3 -0.947 -12.398 -3.154 1.00 42.33 C ATOM 1305 O MET B 3 -1.385 -11.705 -4.082 1.00 1.30 O ATOM 1306 CB MET B 3 0.989 -14.106 -3.172 1.00 44.13 C ATOM 1307 CG MET B 3 1.394 -14.561 -1.759 1.00 12.13 C ATOM 1308 SD MET B 3 0.550 -16.098 -1.306 1.00 41.34 S ATOM 1309 CE MET B 3 1.451 -16.626 0.148 1.00 0.24 C ATOM 0 H MET B 3 -0.711 -13.748 -5.487 1.00 32.11 H new ATOM 0 HA MET B 3 -1.111 -14.462 -2.633 1.00 1.15 H new ATOM 0 HB2 MET B 3 1.337 -14.848 -3.891 1.00 44.13 H new ATOM 0 HB3 MET B 3 1.506 -13.174 -3.401 1.00 44.13 H new ATOM 0 HG2 MET B 3 2.473 -14.708 -1.716 1.00 12.13 H new ATOM 0 HG3 MET B 3 1.149 -13.781 -1.038 1.00 12.13 H new ATOM 0 HE1 MET B 3 2.008 -17.535 -0.079 1.00 0.24 H new ATOM 0 HE2 MET B 3 2.145 -15.842 0.451 1.00 0.24 H new ATOM 0 HE3 MET B 3 0.750 -16.823 0.959 1.00 0.24 H new ATOM 1319 N LEU B 4 -0.783 -11.936 -1.890 1.00 64.02 N ATOM 1320 CA LEU B 4 -1.037 -10.532 -1.469 1.00 33.54 C ATOM 1321 C LEU B 4 -0.121 -9.518 -2.196 1.00 41.10 C ATOM 1322 O LEU B 4 -0.563 -8.437 -2.600 1.00 61.02 O ATOM 1323 CB LEU B 4 -0.841 -10.395 0.066 1.00 22.54 C ATOM 1324 CG LEU B 4 -1.818 -11.220 0.962 1.00 50.32 C ATOM 1325 CD1 LEU B 4 -1.450 -11.090 2.451 1.00 20.40 C ATOM 1326 CD2 LEU B 4 -3.291 -10.817 0.714 1.00 51.15 C ATOM 0 H LEU B 4 -0.468 -12.532 -1.125 1.00 64.02 H new ATOM 0 HA LEU B 4 -2.066 -10.300 -1.742 1.00 33.54 H new ATOM 0 HB2 LEU B 4 0.179 -10.691 0.309 1.00 22.54 H new ATOM 0 HB3 LEU B 4 -0.939 -9.342 0.331 1.00 22.54 H new ATOM 0 HG LEU B 4 -1.713 -12.268 0.682 1.00 50.32 H new ATOM 0 HD11 LEU B 4 -2.147 -11.675 3.051 1.00 20.40 H new ATOM 0 HD12 LEU B 4 -0.437 -11.460 2.609 1.00 20.40 H new ATOM 0 HD13 LEU B 4 -1.505 -10.043 2.749 1.00 20.40 H new ATOM 0 HD21 LEU B 4 -3.943 -11.411 1.354 1.00 51.15 H new ATOM 0 HD22 LEU B 4 -3.422 -9.760 0.943 1.00 51.15 H new ATOM 0 HD23 LEU B 4 -3.546 -10.996 -0.330 1.00 51.15 H new ATOM 1338 N LYS B 5 1.167 -9.868 -2.326 1.00 31.43 N ATOM 1339 CA LYS B 5 2.152 -9.032 -3.047 1.00 70.03 C ATOM 1340 C LYS B 5 1.875 -9.002 -4.566 1.00 73.22 C ATOM 1341 O LYS B 5 2.004 -7.955 -5.210 1.00 11.33 O ATOM 1342 CB LYS B 5 3.594 -9.533 -2.782 1.00 4.23 C ATOM 1343 CG LYS B 5 4.062 -9.400 -1.311 1.00 42.21 C ATOM 1344 CD LYS B 5 5.564 -9.726 -1.102 1.00 73.04 C ATOM 1345 CE LYS B 5 6.498 -8.718 -1.798 1.00 11.45 C ATOM 1346 NZ LYS B 5 7.930 -8.994 -1.523 1.00 54.25 N ATOM 0 H LYS B 5 1.557 -10.728 -1.941 1.00 31.43 H new ATOM 0 HA LYS B 5 2.052 -8.015 -2.667 1.00 70.03 H new ATOM 0 HB2 LYS B 5 3.661 -10.580 -3.078 1.00 4.23 H new ATOM 0 HB3 LYS B 5 4.281 -8.977 -3.420 1.00 4.23 H new ATOM 0 HG2 LYS B 5 3.869 -8.383 -0.968 1.00 42.21 H new ATOM 0 HG3 LYS B 5 3.465 -10.065 -0.688 1.00 42.21 H new ATOM 0 HD2 LYS B 5 5.783 -9.739 -0.034 1.00 73.04 H new ATOM 0 HD3 LYS B 5 5.770 -10.727 -1.482 1.00 73.04 H new ATOM 0 HE2 LYS B 5 6.325 -8.748 -2.874 1.00 11.45 H new ATOM 0 HE3 LYS B 5 6.254 -7.710 -1.464 1.00 11.45 H new ATOM 0 HZ1 LYS B 5 8.370 -8.153 -1.099 1.00 54.25 H new ATOM 0 HZ2 LYS B 5 8.009 -9.795 -0.865 1.00 54.25 H new ATOM 0 HZ3 LYS B 5 8.416 -9.227 -2.413 1.00 54.25 H new ATOM 1360 N GLU B 6 1.491 -10.162 -5.125 1.00 65.13 N ATOM 1361 CA GLU B 6 1.262 -10.303 -6.574 1.00 41.13 C ATOM 1362 C GLU B 6 0.035 -9.481 -7.052 1.00 24.23 C ATOM 1363 O GLU B 6 0.089 -8.833 -8.103 1.00 23.00 O ATOM 1364 CB GLU B 6 1.076 -11.791 -6.955 1.00 44.12 C ATOM 1365 CG GLU B 6 0.927 -12.029 -8.474 1.00 63.23 C ATOM 1366 CD GLU B 6 0.598 -13.482 -8.848 1.00 75.34 C ATOM 1367 OE1 GLU B 6 -0.562 -13.890 -8.665 1.00 53.22 O ATOM 1368 OE2 GLU B 6 1.482 -14.205 -9.358 1.00 2.43 O ATOM 0 H GLU B 6 1.332 -11.018 -4.594 1.00 65.13 H new ATOM 0 HA GLU B 6 2.146 -9.909 -7.076 1.00 41.13 H new ATOM 0 HB2 GLU B 6 1.931 -12.360 -6.589 1.00 44.12 H new ATOM 0 HB3 GLU B 6 0.193 -12.179 -6.447 1.00 44.12 H new ATOM 0 HG2 GLU B 6 0.141 -11.379 -8.858 1.00 63.23 H new ATOM 0 HG3 GLU B 6 1.853 -11.737 -8.970 1.00 63.23 H new ATOM 1375 N LYS B 7 -1.074 -9.526 -6.271 1.00 45.35 N ATOM 1376 CA LYS B 7 -2.305 -8.762 -6.596 1.00 23.13 C ATOM 1377 C LYS B 7 -2.036 -7.232 -6.560 1.00 1.42 C ATOM 1378 O LYS B 7 -2.531 -6.490 -7.407 1.00 31.14 O ATOM 1379 CB LYS B 7 -3.478 -9.127 -5.636 1.00 13.14 C ATOM 1380 CG LYS B 7 -3.286 -8.657 -4.173 1.00 11.21 C ATOM 1381 CD LYS B 7 -4.528 -8.816 -3.266 1.00 74.04 C ATOM 1382 CE LYS B 7 -4.775 -10.258 -2.775 1.00 71.23 C ATOM 1383 NZ LYS B 7 -5.161 -11.204 -3.854 1.00 63.33 N ATOM 0 H LYS B 7 -1.141 -10.080 -5.417 1.00 45.35 H new ATOM 0 HA LYS B 7 -2.600 -9.040 -7.608 1.00 23.13 H new ATOM 0 HB2 LYS B 7 -4.398 -8.691 -6.026 1.00 13.14 H new ATOM 0 HB3 LYS B 7 -3.611 -10.209 -5.641 1.00 13.14 H new ATOM 0 HG2 LYS B 7 -2.460 -9.216 -3.733 1.00 11.21 H new ATOM 0 HG3 LYS B 7 -2.992 -7.607 -4.180 1.00 11.21 H new ATOM 0 HD2 LYS B 7 -4.417 -8.164 -2.400 1.00 74.04 H new ATOM 0 HD3 LYS B 7 -5.408 -8.475 -3.811 1.00 74.04 H new ATOM 0 HE2 LYS B 7 -3.871 -10.626 -2.289 1.00 71.23 H new ATOM 0 HE3 LYS B 7 -5.560 -10.244 -2.019 1.00 71.23 H new ATOM 0 HZ1 LYS B 7 -5.761 -11.956 -3.458 1.00 63.33 H new ATOM 0 HZ2 LYS B 7 -5.687 -10.693 -4.591 1.00 63.33 H new ATOM 0 HZ3 LYS B 7 -4.305 -11.626 -4.268 1.00 63.33 H new ATOM 1397 N ALA B 8 -1.222 -6.791 -5.568 1.00 4.14 N ATOM 1398 CA ALA B 8 -0.781 -5.383 -5.434 1.00 45.40 C ATOM 1399 C ALA B 8 0.060 -4.949 -6.658 1.00 3.32 C ATOM 1400 O ALA B 8 -0.025 -3.808 -7.110 1.00 60.33 O ATOM 1401 CB ALA B 8 0.016 -5.207 -4.128 1.00 64.24 C ATOM 0 H ALA B 8 -0.854 -7.403 -4.840 1.00 4.14 H new ATOM 0 HA ALA B 8 -1.662 -4.742 -5.395 1.00 45.40 H new ATOM 0 HB1 ALA B 8 0.338 -4.170 -4.035 1.00 64.24 H new ATOM 0 HB2 ALA B 8 -0.615 -5.469 -3.279 1.00 64.24 H new ATOM 0 HB3 ALA B 8 0.890 -5.858 -4.145 1.00 64.24 H new ATOM 1407 N GLY B 9 0.840 -5.909 -7.193 1.00 51.43 N ATOM 1408 CA GLY B 9 1.644 -5.708 -8.411 1.00 22.52 C ATOM 1409 C GLY B 9 0.802 -5.643 -9.697 1.00 75.44 C ATOM 1410 O GLY B 9 1.123 -4.892 -10.630 1.00 75.54 O ATOM 0 H GLY B 9 0.929 -6.843 -6.793 1.00 51.43 H new ATOM 0 HA2 GLY B 9 2.214 -4.784 -8.312 1.00 22.52 H new ATOM 0 HA3 GLY B 9 2.366 -6.520 -8.499 1.00 22.52 H new ATOM 1414 N ALA B 10 -0.279 -6.446 -9.738 1.00 34.30 N ATOM 1415 CA ALA B 10 -1.238 -6.481 -10.869 1.00 74.21 C ATOM 1416 C ALA B 10 -2.021 -5.148 -10.994 1.00 22.32 C ATOM 1417 O ALA B 10 -2.211 -4.620 -12.098 1.00 62.44 O ATOM 1418 CB ALA B 10 -2.212 -7.661 -10.694 1.00 61.32 C ATOM 0 H ALA B 10 -0.516 -7.093 -8.986 1.00 34.30 H new ATOM 0 HA ALA B 10 -0.670 -6.616 -11.790 1.00 74.21 H new ATOM 0 HB1 ALA B 10 -2.913 -7.681 -11.528 1.00 61.32 H new ATOM 0 HB2 ALA B 10 -1.651 -8.595 -10.670 1.00 61.32 H new ATOM 0 HB3 ALA B 10 -2.762 -7.543 -9.760 1.00 61.32 H new ATOM 1424 N LEU B 11 -2.465 -4.620 -9.839 1.00 51.32 N ATOM 1425 CA LEU B 11 -3.144 -3.303 -9.737 1.00 5.13 C ATOM 1426 C LEU B 11 -2.154 -2.155 -10.032 1.00 61.20 C ATOM 1427 O LEU B 11 -2.519 -1.148 -10.649 1.00 75.53 O ATOM 1428 CB LEU B 11 -3.752 -3.142 -8.318 1.00 31.31 C ATOM 1429 CG LEU B 11 -4.754 -4.256 -7.884 1.00 75.34 C ATOM 1430 CD1 LEU B 11 -5.126 -4.125 -6.397 1.00 63.11 C ATOM 1431 CD2 LEU B 11 -6.005 -4.280 -8.793 1.00 34.14 C ATOM 0 H LEU B 11 -2.365 -5.093 -8.941 1.00 51.32 H new ATOM 0 HA LEU B 11 -3.943 -3.258 -10.477 1.00 5.13 H new ATOM 0 HB2 LEU B 11 -2.937 -3.109 -7.595 1.00 31.31 H new ATOM 0 HB3 LEU B 11 -4.262 -2.180 -8.268 1.00 31.31 H new ATOM 0 HG LEU B 11 -4.254 -5.216 -8.007 1.00 75.34 H new ATOM 0 HD11 LEU B 11 -5.826 -4.916 -6.126 1.00 63.11 H new ATOM 0 HD12 LEU B 11 -4.226 -4.212 -5.788 1.00 63.11 H new ATOM 0 HD13 LEU B 11 -5.590 -3.154 -6.222 1.00 63.11 H new ATOM 0 HD21 LEU B 11 -6.681 -5.068 -8.461 1.00 34.14 H new ATOM 0 HD22 LEU B 11 -6.514 -3.318 -8.737 1.00 34.14 H new ATOM 0 HD23 LEU B 11 -5.703 -4.471 -9.823 1.00 34.14 H new ATOM 1443 N ALA B 12 -0.892 -2.357 -9.594 1.00 4.00 N ATOM 1444 CA ALA B 12 0.222 -1.398 -9.779 1.00 64.22 C ATOM 1445 C ALA B 12 0.453 -1.030 -11.255 1.00 4.02 C ATOM 1446 O ALA B 12 0.485 0.156 -11.609 1.00 41.21 O ATOM 1447 CB ALA B 12 1.514 -1.979 -9.187 1.00 12.45 C ATOM 0 H ALA B 12 -0.614 -3.202 -9.095 1.00 4.00 H new ATOM 0 HA ALA B 12 -0.057 -0.483 -9.257 1.00 64.22 H new ATOM 0 HB1 ALA B 12 2.329 -1.269 -9.326 1.00 12.45 H new ATOM 0 HB2 ALA B 12 1.374 -2.167 -8.122 1.00 12.45 H new ATOM 0 HB3 ALA B 12 1.757 -2.914 -9.692 1.00 12.45 H new ATOM 1453 N GLY B 13 0.593 -2.066 -12.098 1.00 63.34 N ATOM 1454 CA GLY B 13 0.823 -1.889 -13.535 1.00 24.44 C ATOM 1455 C GLY B 13 -0.229 -1.017 -14.228 1.00 73.21 C ATOM 1456 O GLY B 13 0.111 -0.165 -15.043 1.00 55.21 O ATOM 0 H GLY B 13 0.550 -3.041 -11.802 1.00 63.34 H new ATOM 0 HA2 GLY B 13 1.806 -1.443 -13.684 1.00 24.44 H new ATOM 0 HA3 GLY B 13 0.842 -2.868 -14.014 1.00 24.44 H new ATOM 1460 N GLN B 14 -1.505 -1.213 -13.850 1.00 71.12 N ATOM 1461 CA GLN B 14 -2.646 -0.452 -14.417 1.00 73.55 C ATOM 1462 C GLN B 14 -2.547 1.052 -14.048 1.00 2.31 C ATOM 1463 O GLN B 14 -2.668 1.928 -14.913 1.00 54.32 O ATOM 1464 CB GLN B 14 -3.996 -1.040 -13.911 1.00 34.42 C ATOM 1465 CG GLN B 14 -4.105 -2.574 -14.018 1.00 15.35 C ATOM 1466 CD GLN B 14 -5.485 -3.108 -13.633 1.00 13.35 C ATOM 1467 OE1 GLN B 14 -6.350 -3.275 -14.476 1.00 22.14 O ATOM 1468 NE2 GLN B 14 -5.707 -3.352 -12.356 1.00 13.45 N ATOM 0 H GLN B 14 -1.779 -1.899 -13.147 1.00 71.12 H new ATOM 0 HA GLN B 14 -2.606 -0.543 -15.503 1.00 73.55 H new ATOM 0 HB2 GLN B 14 -4.136 -0.750 -12.870 1.00 34.42 H new ATOM 0 HB3 GLN B 14 -4.810 -0.590 -14.480 1.00 34.42 H new ATOM 0 HG2 GLN B 14 -3.877 -2.878 -15.040 1.00 15.35 H new ATOM 0 HG3 GLN B 14 -3.353 -3.031 -13.375 1.00 15.35 H new ATOM 0 HE21 GLN B 14 -4.965 -3.204 -11.672 1.00 13.45 H new ATOM 0 HE22 GLN B 14 -6.621 -3.689 -12.053 1.00 13.45 H new ATOM 1477 N ILE B 15 -2.303 1.324 -12.747 1.00 13.35 N ATOM 1478 CA ILE B 15 -2.202 2.700 -12.192 1.00 62.05 C ATOM 1479 C ILE B 15 -1.016 3.486 -12.810 1.00 43.40 C ATOM 1480 O ILE B 15 -1.153 4.663 -13.169 1.00 52.42 O ATOM 1481 CB ILE B 15 -2.077 2.658 -10.618 1.00 62.53 C ATOM 1482 CG1 ILE B 15 -3.335 1.970 -9.995 1.00 72.51 C ATOM 1483 CG2 ILE B 15 -1.854 4.069 -10.005 1.00 40.25 C ATOM 1484 CD1 ILE B 15 -3.316 1.854 -8.480 1.00 21.04 C ATOM 0 H ILE B 15 -2.169 0.595 -12.046 1.00 13.35 H new ATOM 0 HA ILE B 15 -3.119 3.226 -12.458 1.00 62.05 H new ATOM 0 HB ILE B 15 -1.193 2.068 -10.375 1.00 62.53 H new ATOM 0 HG12 ILE B 15 -4.222 2.531 -10.291 1.00 72.51 H new ATOM 0 HG13 ILE B 15 -3.433 0.971 -10.420 1.00 72.51 H new ATOM 0 HG21 ILE B 15 -1.775 3.986 -8.921 1.00 40.25 H new ATOM 0 HG22 ILE B 15 -0.935 4.498 -10.405 1.00 40.25 H new ATOM 0 HG23 ILE B 15 -2.696 4.713 -10.259 1.00 40.25 H new ATOM 0 HD11 ILE B 15 -4.229 1.364 -8.141 1.00 21.04 H new ATOM 0 HD12 ILE B 15 -2.452 1.265 -8.171 1.00 21.04 H new ATOM 0 HD13 ILE B 15 -3.253 2.849 -8.040 1.00 21.04 H new ATOM 1496 N TRP B 16 0.135 2.806 -12.949 1.00 22.20 N ATOM 1497 CA TRP B 16 1.360 3.393 -13.528 1.00 20.33 C ATOM 1498 C TRP B 16 1.168 3.732 -15.029 1.00 52.14 C ATOM 1499 O TRP B 16 1.598 4.792 -15.488 1.00 15.43 O ATOM 1500 CB TRP B 16 2.560 2.429 -13.332 1.00 11.11 C ATOM 1501 CG TRP B 16 3.894 3.038 -13.709 1.00 21.21 C ATOM 1502 CD1 TRP B 16 4.731 3.749 -12.899 1.00 31.34 C ATOM 1503 CD2 TRP B 16 4.520 3.013 -14.999 1.00 32.20 C ATOM 1504 NE1 TRP B 16 5.839 4.148 -13.601 1.00 73.24 N ATOM 1505 CE2 TRP B 16 5.729 3.715 -14.893 1.00 71.10 C ATOM 1506 CE3 TRP B 16 4.168 2.459 -16.229 1.00 45.21 C ATOM 1507 CZ2 TRP B 16 6.591 3.881 -15.971 1.00 74.51 C ATOM 1508 CZ3 TRP B 16 5.014 2.623 -17.299 1.00 1.23 C ATOM 1509 CH2 TRP B 16 6.217 3.330 -17.169 1.00 4.25 C ATOM 0 H TRP B 16 0.244 1.833 -12.663 1.00 22.20 H new ATOM 0 HA TRP B 16 1.570 4.326 -13.004 1.00 20.33 H new ATOM 0 HB2 TRP B 16 2.596 2.114 -12.289 1.00 11.11 H new ATOM 0 HB3 TRP B 16 2.397 1.533 -13.931 1.00 11.11 H new ATOM 0 HD1 TRP B 16 4.547 3.966 -11.857 1.00 31.34 H new ATOM 0 HE1 TRP B 16 6.620 4.682 -13.220 1.00 73.24 H new ATOM 0 HE3 TRP B 16 3.245 1.910 -16.339 1.00 45.21 H new ATOM 0 HZ2 TRP B 16 7.519 4.423 -15.868 1.00 74.51 H new ATOM 0 HZ3 TRP B 16 4.747 2.200 -18.256 1.00 1.23 H new ATOM 0 HH2 TRP B 16 6.861 3.443 -18.028 1.00 4.25 H new ATOM 1520 N GLU B 17 0.531 2.812 -15.780 1.00 2.34 N ATOM 1521 CA GLU B 17 0.204 3.018 -17.216 1.00 14.21 C ATOM 1522 C GLU B 17 -0.738 4.229 -17.434 1.00 11.34 C ATOM 1523 O GLU B 17 -0.629 4.932 -18.448 1.00 30.24 O ATOM 1524 CB GLU B 17 -0.429 1.729 -17.802 1.00 52.41 C ATOM 1525 CG GLU B 17 0.555 0.564 -18.044 1.00 14.30 C ATOM 1526 CD GLU B 17 1.473 0.782 -19.258 1.00 11.34 C ATOM 1527 OE1 GLU B 17 0.997 0.626 -20.402 1.00 21.04 O ATOM 1528 OE2 GLU B 17 2.669 1.104 -19.085 1.00 25.00 O ATOM 0 H GLU B 17 0.228 1.908 -15.417 1.00 2.34 H new ATOM 0 HA GLU B 17 1.135 3.238 -17.739 1.00 14.21 H new ATOM 0 HB2 GLU B 17 -1.212 1.387 -17.125 1.00 52.41 H new ATOM 0 HB3 GLU B 17 -0.912 1.978 -18.747 1.00 52.41 H new ATOM 0 HG2 GLU B 17 1.169 0.426 -17.154 1.00 14.30 H new ATOM 0 HG3 GLU B 17 -0.011 -0.356 -18.187 1.00 14.30 H new ATOM 1535 N ALA B 18 -1.656 4.464 -16.474 1.00 1.32 N ATOM 1536 CA ALA B 18 -2.533 5.661 -16.470 1.00 40.31 C ATOM 1537 C ALA B 18 -1.708 6.966 -16.314 1.00 63.11 C ATOM 1538 O ALA B 18 -2.015 7.989 -16.935 1.00 62.02 O ATOM 1539 CB ALA B 18 -3.571 5.547 -15.344 1.00 13.32 C ATOM 0 H ALA B 18 -1.812 3.837 -15.685 1.00 1.32 H new ATOM 0 HA ALA B 18 -3.049 5.707 -17.429 1.00 40.31 H new ATOM 0 HB1 ALA B 18 -4.211 6.430 -15.348 1.00 13.32 H new ATOM 0 HB2 ALA B 18 -4.180 4.657 -15.500 1.00 13.32 H new ATOM 0 HB3 ALA B 18 -3.060 5.474 -14.384 1.00 13.32 H new ATOM 1545 N LEU B 19 -0.654 6.896 -15.482 1.00 74.32 N ATOM 1546 CA LEU B 19 0.265 8.027 -15.214 1.00 23.35 C ATOM 1547 C LEU B 19 1.311 8.215 -16.346 1.00 55.14 C ATOM 1548 O LEU B 19 1.841 9.320 -16.533 1.00 1.30 O ATOM 1549 CB LEU B 19 0.991 7.787 -13.864 1.00 63.45 C ATOM 1550 CG LEU B 19 0.090 7.754 -12.592 1.00 3.21 C ATOM 1551 CD1 LEU B 19 0.897 7.344 -11.338 1.00 73.00 C ATOM 1552 CD2 LEU B 19 -0.614 9.110 -12.393 1.00 23.34 C ATOM 0 H LEU B 19 -0.410 6.048 -14.970 1.00 74.32 H new ATOM 0 HA LEU B 19 -0.331 8.938 -15.168 1.00 23.35 H new ATOM 0 HB2 LEU B 19 1.528 6.841 -13.928 1.00 63.45 H new ATOM 0 HB3 LEU B 19 1.739 8.569 -13.734 1.00 63.45 H new ATOM 0 HG LEU B 19 -0.678 6.994 -12.740 1.00 3.21 H new ATOM 0 HD11 LEU B 19 0.238 7.331 -10.470 1.00 73.00 H new ATOM 0 HD12 LEU B 19 1.321 6.351 -11.487 1.00 73.00 H new ATOM 0 HD13 LEU B 19 1.701 8.061 -11.173 1.00 73.00 H new ATOM 0 HD21 LEU B 19 -1.238 9.068 -11.501 1.00 23.34 H new ATOM 0 HD22 LEU B 19 0.134 9.894 -12.276 1.00 23.34 H new ATOM 0 HD23 LEU B 19 -1.236 9.328 -13.261 1.00 23.34 H new ATOM 1564 N ASN B 20 1.604 7.125 -17.083 1.00 53.54 N ATOM 1565 CA ASN B 20 2.652 7.101 -18.129 1.00 74.13 C ATOM 1566 C ASN B 20 2.256 7.972 -19.348 1.00 34.41 C ATOM 1567 O ASN B 20 1.121 7.898 -19.835 1.00 31.13 O ATOM 1568 CB ASN B 20 2.942 5.636 -18.554 1.00 64.35 C ATOM 1569 CG ASN B 20 4.166 5.486 -19.466 1.00 73.21 C ATOM 1570 OD1 ASN B 20 5.109 6.270 -19.401 1.00 33.03 O ATOM 1571 ND2 ASN B 20 4.174 4.465 -20.304 1.00 44.15 N ATOM 0 H ASN B 20 1.121 6.234 -16.971 1.00 53.54 H new ATOM 0 HA ASN B 20 3.564 7.530 -17.713 1.00 74.13 H new ATOM 0 HB2 ASN B 20 3.091 5.031 -17.660 1.00 64.35 H new ATOM 0 HB3 ASN B 20 2.067 5.237 -19.067 1.00 64.35 H new ATOM 0 HD21 ASN B 20 4.976 4.314 -20.916 1.00 44.15 H new ATOM 0 HD22 ASN B 20 3.378 3.828 -20.339 1.00 44.15 H new ATOM 1578 N GLY B 21 3.203 8.815 -19.811 1.00 72.43 N ATOM 1579 CA GLY B 21 2.962 9.761 -20.915 1.00 0.42 C ATOM 1580 C GLY B 21 2.180 11.021 -20.492 1.00 24.40 C ATOM 1581 O GLY B 21 1.838 11.864 -21.334 1.00 24.04 O ATOM 0 H GLY B 21 4.149 8.857 -19.432 1.00 72.43 H new ATOM 0 HA2 GLY B 21 3.920 10.064 -21.338 1.00 0.42 H new ATOM 0 HA3 GLY B 21 2.411 9.251 -21.705 1.00 0.42 H new ATOM 1585 N THR B 22 1.925 11.163 -19.172 1.00 73.41 N ATOM 1586 CA THR B 22 1.064 12.235 -18.607 1.00 10.03 C ATOM 1587 C THR B 22 1.811 13.014 -17.489 1.00 75.22 C ATOM 1588 O THR B 22 2.759 12.500 -16.897 1.00 13.14 O ATOM 1589 CB THR B 22 -0.272 11.626 -18.031 1.00 72.31 C ATOM 1590 OG1 THR B 22 -0.803 10.642 -18.943 1.00 64.42 O ATOM 1591 CG2 THR B 22 -1.349 12.706 -17.787 1.00 13.31 C ATOM 0 H THR B 22 2.310 10.538 -18.464 1.00 73.41 H new ATOM 0 HA THR B 22 0.821 12.928 -19.413 1.00 10.03 H new ATOM 0 HB THR B 22 -0.023 11.166 -17.074 1.00 72.31 H new ATOM 0 HG1 THR B 22 -1.631 10.269 -18.576 1.00 64.42 H new ATOM 0 HG21 THR B 22 -2.250 12.238 -17.391 1.00 13.31 H new ATOM 0 HG22 THR B 22 -0.975 13.438 -17.071 1.00 13.31 H new ATOM 0 HG23 THR B 22 -1.583 13.205 -18.727 1.00 13.31 H new ATOM 1599 N GLU B 23 1.356 14.254 -17.202 1.00 32.42 N ATOM 1600 CA GLU B 23 1.921 15.120 -16.127 1.00 5.11 C ATOM 1601 C GLU B 23 1.546 14.630 -14.698 1.00 72.43 C ATOM 1602 O GLU B 23 2.096 15.118 -13.703 1.00 14.02 O ATOM 1603 CB GLU B 23 1.418 16.573 -16.330 1.00 11.55 C ATOM 1604 CG GLU B 23 1.777 17.180 -17.699 1.00 75.43 C ATOM 1605 CD GLU B 23 1.231 18.605 -17.891 1.00 52.23 C ATOM 1606 OE1 GLU B 23 0.082 18.756 -18.362 1.00 31.15 O ATOM 1607 OE2 GLU B 23 1.944 19.581 -17.562 1.00 62.11 O ATOM 0 H GLU B 23 0.584 14.689 -17.707 1.00 32.42 H new ATOM 0 HA GLU B 23 3.007 15.072 -16.203 1.00 5.11 H new ATOM 0 HB2 GLU B 23 0.335 16.591 -16.210 1.00 11.55 H new ATOM 0 HB3 GLU B 23 1.836 17.203 -15.545 1.00 11.55 H new ATOM 0 HG2 GLU B 23 2.861 17.195 -17.810 1.00 75.43 H new ATOM 0 HG3 GLU B 23 1.385 16.538 -18.488 1.00 75.43 H new ATOM 1614 N GLY B 24 0.599 13.675 -14.617 1.00 35.24 N ATOM 1615 CA GLY B 24 0.100 13.132 -13.340 1.00 24.22 C ATOM 1616 C GLY B 24 -1.422 13.215 -13.213 1.00 70.11 C ATOM 1617 O GLY B 24 -2.045 14.113 -13.782 1.00 24.21 O ATOM 0 H GLY B 24 0.158 13.258 -15.437 1.00 35.24 H new ATOM 0 HA2 GLY B 24 0.411 12.092 -13.247 1.00 24.22 H new ATOM 0 HA3 GLY B 24 0.559 13.677 -12.515 1.00 24.22 H new ATOM 1621 N LEU B 25 -2.022 12.267 -12.470 1.00 52.53 N ATOM 1622 CA LEU B 25 -3.496 12.185 -12.266 1.00 72.45 C ATOM 1623 C LEU B 25 -3.823 12.131 -10.754 1.00 65.53 C ATOM 1624 O LEU B 25 -2.975 11.753 -9.936 1.00 23.13 O ATOM 1625 CB LEU B 25 -4.120 10.924 -12.962 1.00 10.31 C ATOM 1626 CG LEU B 25 -4.146 10.871 -14.535 1.00 62.33 C ATOM 1627 CD1 LEU B 25 -2.753 10.608 -15.138 1.00 32.30 C ATOM 1628 CD2 LEU B 25 -5.169 9.820 -15.044 1.00 32.43 C ATOM 0 H LEU B 25 -1.505 11.531 -11.990 1.00 52.53 H new ATOM 0 HA LEU B 25 -3.929 13.077 -12.718 1.00 72.45 H new ATOM 0 HB2 LEU B 25 -3.576 10.048 -12.610 1.00 10.31 H new ATOM 0 HB3 LEU B 25 -5.147 10.825 -12.610 1.00 10.31 H new ATOM 0 HG LEU B 25 -4.463 11.857 -14.874 1.00 62.33 H new ATOM 0 HD11 LEU B 25 -2.826 10.581 -16.225 1.00 32.30 H new ATOM 0 HD12 LEU B 25 -2.071 11.405 -14.840 1.00 32.30 H new ATOM 0 HD13 LEU B 25 -2.374 9.652 -14.776 1.00 32.30 H new ATOM 0 HD21 LEU B 25 -5.165 9.806 -16.134 1.00 32.43 H new ATOM 0 HD22 LEU B 25 -4.896 8.834 -14.667 1.00 32.43 H new ATOM 0 HD23 LEU B 25 -6.166 10.081 -14.688 1.00 32.43 H new ATOM 1640 N THR B 26 -5.066 12.511 -10.398 1.00 14.12 N ATOM 1641 CA THR B 26 -5.592 12.340 -9.022 1.00 52.40 C ATOM 1642 C THR B 26 -6.088 10.887 -8.808 1.00 70.53 C ATOM 1643 O THR B 26 -6.162 10.103 -9.762 1.00 54.00 O ATOM 1644 CB THR B 26 -6.776 13.321 -8.706 1.00 3.12 C ATOM 1645 OG1 THR B 26 -7.938 12.965 -9.477 1.00 20.03 O ATOM 1646 CG2 THR B 26 -6.412 14.793 -8.981 1.00 15.43 C ATOM 0 H THR B 26 -5.729 12.940 -11.044 1.00 14.12 H new ATOM 0 HA THR B 26 -4.767 12.566 -8.347 1.00 52.40 H new ATOM 0 HB THR B 26 -6.989 13.225 -7.641 1.00 3.12 H new ATOM 0 HG1 THR B 26 -8.670 13.583 -9.270 1.00 20.03 H new ATOM 0 HG21 THR B 26 -7.266 15.429 -8.746 1.00 15.43 H new ATOM 0 HG22 THR B 26 -5.564 15.080 -8.360 1.00 15.43 H new ATOM 0 HG23 THR B 26 -6.149 14.913 -10.032 1.00 15.43 H new ATOM 1654 N GLN B 27 -6.448 10.547 -7.552 1.00 14.13 N ATOM 1655 CA GLN B 27 -7.032 9.232 -7.208 1.00 42.43 C ATOM 1656 C GLN B 27 -8.326 8.980 -8.020 1.00 22.13 C ATOM 1657 O GLN B 27 -8.478 7.929 -8.629 1.00 71.01 O ATOM 1658 CB GLN B 27 -7.322 9.156 -5.682 1.00 30.21 C ATOM 1659 CG GLN B 27 -7.964 7.834 -5.204 1.00 74.34 C ATOM 1660 CD GLN B 27 -8.171 7.748 -3.688 1.00 5.44 C ATOM 1661 OE1 GLN B 27 -7.445 8.352 -2.904 1.00 43.43 O ATOM 1662 NE2 GLN B 27 -9.153 6.977 -3.261 1.00 52.14 N ATOM 0 H GLN B 27 -6.343 11.171 -6.752 1.00 14.13 H new ATOM 0 HA GLN B 27 -6.312 8.455 -7.465 1.00 42.43 H new ATOM 0 HB2 GLN B 27 -6.387 9.304 -5.142 1.00 30.21 H new ATOM 0 HB3 GLN B 27 -7.981 9.981 -5.411 1.00 30.21 H new ATOM 0 HG2 GLN B 27 -8.928 7.712 -5.698 1.00 74.34 H new ATOM 0 HG3 GLN B 27 -7.335 7.002 -5.521 1.00 74.34 H new ATOM 0 HE21 GLN B 27 -9.743 6.485 -3.932 1.00 52.14 H new ATOM 0 HE22 GLN B 27 -9.322 6.873 -2.260 1.00 52.14 H new ATOM 1671 N LYS B 28 -9.220 9.992 -8.040 1.00 73.44 N ATOM 1672 CA LYS B 28 -10.500 9.970 -8.800 1.00 61.44 C ATOM 1673 C LYS B 28 -10.272 9.690 -10.314 1.00 4.51 C ATOM 1674 O LYS B 28 -10.956 8.841 -10.914 1.00 40.12 O ATOM 1675 CB LYS B 28 -11.242 11.327 -8.609 1.00 15.03 C ATOM 1676 CG LYS B 28 -12.581 11.469 -9.378 1.00 11.55 C ATOM 1677 CD LYS B 28 -13.652 10.442 -8.931 1.00 22.24 C ATOM 1678 CE LYS B 28 -14.946 10.533 -9.760 1.00 51.30 C ATOM 1679 NZ LYS B 28 -15.565 11.884 -9.686 1.00 13.53 N ATOM 0 H LYS B 28 -9.076 10.860 -7.524 1.00 73.44 H new ATOM 0 HA LYS B 28 -11.111 9.157 -8.409 1.00 61.44 H new ATOM 0 HB2 LYS B 28 -11.437 11.468 -7.546 1.00 15.03 H new ATOM 0 HB3 LYS B 28 -10.577 12.132 -8.921 1.00 15.03 H new ATOM 0 HG2 LYS B 28 -12.970 12.477 -9.234 1.00 11.55 H new ATOM 0 HG3 LYS B 28 -12.394 11.349 -10.445 1.00 11.55 H new ATOM 0 HD2 LYS B 28 -13.242 9.436 -9.015 1.00 22.24 H new ATOM 0 HD3 LYS B 28 -13.887 10.603 -7.879 1.00 22.24 H new ATOM 0 HE2 LYS B 28 -14.727 10.292 -10.800 1.00 51.30 H new ATOM 0 HE3 LYS B 28 -15.658 9.789 -9.403 1.00 51.30 H new ATOM 0 HZ1 LYS B 28 -16.484 11.872 -10.173 1.00 13.53 H new ATOM 0 HZ2 LYS B 28 -15.705 12.148 -8.690 1.00 13.53 H new ATOM 0 HZ3 LYS B 28 -14.940 12.578 -10.143 1.00 13.53 H new ATOM 1693 N GLN B 29 -9.295 10.405 -10.909 1.00 54.21 N ATOM 1694 CA GLN B 29 -8.933 10.254 -12.340 1.00 74.12 C ATOM 1695 C GLN B 29 -8.381 8.843 -12.648 1.00 31.11 C ATOM 1696 O GLN B 29 -8.718 8.252 -13.675 1.00 43.13 O ATOM 1697 CB GLN B 29 -7.894 11.331 -12.754 1.00 2.44 C ATOM 1698 CG GLN B 29 -8.408 12.776 -12.694 1.00 41.31 C ATOM 1699 CD GLN B 29 -7.349 13.796 -13.123 1.00 23.20 C ATOM 1700 OE1 GLN B 29 -6.586 14.296 -12.308 1.00 74.41 O ATOM 1701 NE2 GLN B 29 -7.280 14.095 -14.405 1.00 72.25 N ATOM 0 H GLN B 29 -8.735 11.101 -10.417 1.00 54.21 H new ATOM 0 HA GLN B 29 -9.845 10.391 -12.921 1.00 74.12 H new ATOM 0 HB2 GLN B 29 -7.022 11.243 -12.106 1.00 2.44 H new ATOM 0 HB3 GLN B 29 -7.559 11.121 -13.770 1.00 2.44 H new ATOM 0 HG2 GLN B 29 -9.283 12.874 -13.337 1.00 41.31 H new ATOM 0 HG3 GLN B 29 -8.733 13.000 -11.678 1.00 41.31 H new ATOM 0 HE21 GLN B 29 -7.928 13.664 -15.065 1.00 72.25 H new ATOM 0 HE22 GLN B 29 -6.579 14.757 -14.737 1.00 72.25 H new ATOM 1710 N ILE B 30 -7.546 8.308 -11.740 1.00 12.40 N ATOM 1711 CA ILE B 30 -6.933 6.969 -11.898 1.00 62.23 C ATOM 1712 C ILE B 30 -7.978 5.839 -11.739 1.00 42.12 C ATOM 1713 O ILE B 30 -7.969 4.897 -12.513 1.00 24.00 O ATOM 1714 CB ILE B 30 -5.733 6.775 -10.898 1.00 54.23 C ATOM 1715 CG1 ILE B 30 -4.562 7.725 -11.295 1.00 71.44 C ATOM 1716 CG2 ILE B 30 -5.255 5.303 -10.819 1.00 10.32 C ATOM 1717 CD1 ILE B 30 -3.351 7.686 -10.384 1.00 51.01 C ATOM 0 H ILE B 30 -7.276 8.785 -10.880 1.00 12.40 H new ATOM 0 HA ILE B 30 -6.540 6.908 -12.913 1.00 62.23 H new ATOM 0 HB ILE B 30 -6.086 7.034 -9.900 1.00 54.23 H new ATOM 0 HG12 ILE B 30 -4.242 7.475 -12.307 1.00 71.44 H new ATOM 0 HG13 ILE B 30 -4.940 8.747 -11.324 1.00 71.44 H new ATOM 0 HG21 ILE B 30 -4.426 5.227 -10.115 1.00 10.32 H new ATOM 0 HG22 ILE B 30 -6.077 4.671 -10.482 1.00 10.32 H new ATOM 0 HG23 ILE B 30 -4.925 4.974 -11.805 1.00 10.32 H new ATOM 0 HD11 ILE B 30 -2.597 8.383 -10.750 1.00 51.01 H new ATOM 0 HD12 ILE B 30 -3.646 7.969 -9.374 1.00 51.01 H new ATOM 0 HD13 ILE B 30 -2.937 6.678 -10.372 1.00 51.01 H new ATOM 1729 N LYS B 31 -8.881 5.954 -10.748 1.00 35.14 N ATOM 1730 CA LYS B 31 -9.986 4.970 -10.524 1.00 53.20 C ATOM 1731 C LYS B 31 -10.852 4.801 -11.797 1.00 0.34 C ATOM 1732 O LYS B 31 -11.274 3.692 -12.142 1.00 74.21 O ATOM 1733 CB LYS B 31 -10.890 5.421 -9.340 1.00 12.34 C ATOM 1734 CG LYS B 31 -10.205 5.436 -7.956 1.00 43.04 C ATOM 1735 CD LYS B 31 -9.855 4.042 -7.405 1.00 74.41 C ATOM 1736 CE LYS B 31 -11.082 3.126 -7.271 1.00 10.53 C ATOM 1737 NZ LYS B 31 -12.177 3.724 -6.461 1.00 42.14 N ATOM 0 H LYS B 31 -8.876 6.722 -10.077 1.00 35.14 H new ATOM 0 HA LYS B 31 -9.527 4.011 -10.283 1.00 53.20 H new ATOM 0 HB2 LYS B 31 -11.266 6.422 -9.552 1.00 12.34 H new ATOM 0 HB3 LYS B 31 -11.755 4.759 -9.292 1.00 12.34 H new ATOM 0 HG2 LYS B 31 -9.291 6.027 -8.023 1.00 43.04 H new ATOM 0 HG3 LYS B 31 -10.860 5.940 -7.245 1.00 43.04 H new ATOM 0 HD2 LYS B 31 -9.125 3.570 -8.063 1.00 74.41 H new ATOM 0 HD3 LYS B 31 -9.381 4.151 -6.429 1.00 74.41 H new ATOM 0 HE2 LYS B 31 -11.462 2.891 -8.265 1.00 10.53 H new ATOM 0 HE3 LYS B 31 -10.776 2.184 -6.816 1.00 10.53 H new ATOM 0 HZ1 LYS B 31 -12.946 3.032 -6.352 1.00 42.14 H new ATOM 0 HZ2 LYS B 31 -11.812 3.986 -5.523 1.00 42.14 H new ATOM 0 HZ3 LYS B 31 -12.540 4.572 -6.941 1.00 42.14 H new ATOM 1751 N LYS B 32 -11.100 5.933 -12.471 1.00 71.03 N ATOM 1752 CA LYS B 32 -11.841 5.983 -13.744 1.00 55.33 C ATOM 1753 C LYS B 32 -10.996 5.367 -14.902 1.00 14.24 C ATOM 1754 O LYS B 32 -11.485 4.497 -15.635 1.00 74.34 O ATOM 1755 CB LYS B 32 -12.266 7.462 -14.028 1.00 72.34 C ATOM 1756 CG LYS B 32 -13.485 7.646 -14.980 1.00 52.51 C ATOM 1757 CD LYS B 32 -13.169 7.461 -16.484 1.00 12.22 C ATOM 1758 CE LYS B 32 -12.242 8.553 -17.046 1.00 42.21 C ATOM 1759 NZ LYS B 32 -11.954 8.342 -18.487 1.00 41.34 N ATOM 0 H LYS B 32 -10.790 6.849 -12.147 1.00 71.03 H new ATOM 0 HA LYS B 32 -12.745 5.379 -13.674 1.00 55.33 H new ATOM 0 HB2 LYS B 32 -12.496 7.943 -13.077 1.00 72.34 H new ATOM 0 HB3 LYS B 32 -11.413 7.990 -14.454 1.00 72.34 H new ATOM 0 HG2 LYS B 32 -14.260 6.934 -14.696 1.00 52.51 H new ATOM 0 HG3 LYS B 32 -13.898 8.644 -14.830 1.00 52.51 H new ATOM 0 HD2 LYS B 32 -12.705 6.486 -16.634 1.00 12.22 H new ATOM 0 HD3 LYS B 32 -14.102 7.460 -17.047 1.00 12.22 H new ATOM 0 HE2 LYS B 32 -12.705 9.530 -16.907 1.00 42.21 H new ATOM 0 HE3 LYS B 32 -11.307 8.560 -16.486 1.00 42.21 H new ATOM 0 HZ1 LYS B 32 -11.327 9.097 -18.830 1.00 41.34 H new ATOM 0 HZ2 LYS B 32 -11.490 7.421 -18.617 1.00 41.34 H new ATOM 0 HZ3 LYS B 32 -12.844 8.360 -19.025 1.00 41.34 H new ATOM 1773 N ALA B 33 -9.723 5.807 -15.022 1.00 53.14 N ATOM 1774 CA ALA B 33 -8.795 5.381 -16.113 1.00 70.23 C ATOM 1775 C ALA B 33 -8.525 3.853 -16.106 1.00 1.41 C ATOM 1776 O ALA B 33 -8.590 3.180 -17.140 1.00 24.44 O ATOM 1777 CB ALA B 33 -7.459 6.145 -15.993 1.00 20.10 C ATOM 0 H ALA B 33 -9.303 6.468 -14.369 1.00 53.14 H new ATOM 0 HA ALA B 33 -9.282 5.619 -17.059 1.00 70.23 H new ATOM 0 HB1 ALA B 33 -6.787 5.830 -16.791 1.00 20.10 H new ATOM 0 HB2 ALA B 33 -7.644 7.216 -16.076 1.00 20.10 H new ATOM 0 HB3 ALA B 33 -7.002 5.929 -15.027 1.00 20.10 H new ATOM 1783 N THR B 34 -8.238 3.337 -14.909 1.00 53.32 N ATOM 1784 CA THR B 34 -7.840 1.930 -14.671 1.00 43.15 C ATOM 1785 C THR B 34 -9.056 1.021 -14.394 1.00 64.34 C ATOM 1786 O THR B 34 -8.915 -0.207 -14.352 1.00 64.41 O ATOM 1787 CB THR B 34 -6.860 1.842 -13.459 1.00 11.32 C ATOM 1788 OG1 THR B 34 -7.544 2.223 -12.251 1.00 34.40 O ATOM 1789 CG2 THR B 34 -5.640 2.759 -13.645 1.00 51.01 C ATOM 0 H THR B 34 -8.274 3.890 -14.053 1.00 53.32 H new ATOM 0 HA THR B 34 -7.350 1.582 -15.580 1.00 43.15 H new ATOM 0 HB THR B 34 -6.512 0.811 -13.394 1.00 11.32 H new ATOM 0 HG1 THR B 34 -7.633 3.198 -12.219 1.00 34.40 H new ATOM 0 HG21 THR B 34 -4.982 2.669 -12.781 1.00 51.01 H new ATOM 0 HG22 THR B 34 -5.099 2.467 -14.545 1.00 51.01 H new ATOM 0 HG23 THR B 34 -5.973 3.792 -13.742 1.00 51.01 H new ATOM 1797 N LYS B 35 -10.230 1.654 -14.156 1.00 32.13 N ATOM 1798 CA LYS B 35 -11.524 0.959 -13.939 1.00 4.03 C ATOM 1799 C LYS B 35 -11.539 0.148 -12.617 1.00 13.23 C ATOM 1800 O LYS B 35 -12.193 -0.901 -12.527 1.00 35.42 O ATOM 1801 CB LYS B 35 -11.900 0.072 -15.176 1.00 12.45 C ATOM 1802 CG LYS B 35 -12.250 0.856 -16.479 1.00 24.15 C ATOM 1803 CD LYS B 35 -13.776 1.036 -16.719 1.00 2.24 C ATOM 1804 CE LYS B 35 -14.483 1.910 -15.667 1.00 24.11 C ATOM 1805 NZ LYS B 35 -13.979 3.310 -15.660 1.00 2.02 N ATOM 0 H LYS B 35 -10.307 2.670 -14.109 1.00 32.13 H new ATOM 0 HA LYS B 35 -12.292 1.725 -13.837 1.00 4.03 H new ATOM 0 HB2 LYS B 35 -11.067 -0.598 -15.388 1.00 12.45 H new ATOM 0 HB3 LYS B 35 -12.752 -0.553 -14.908 1.00 12.45 H new ATOM 0 HG2 LYS B 35 -11.781 1.839 -16.436 1.00 24.15 H new ATOM 0 HG3 LYS B 35 -11.818 0.333 -17.332 1.00 24.15 H new ATOM 0 HD2 LYS B 35 -13.928 1.479 -17.704 1.00 2.24 H new ATOM 0 HD3 LYS B 35 -14.248 0.054 -16.735 1.00 2.24 H new ATOM 0 HE2 LYS B 35 -15.555 1.914 -15.863 1.00 24.11 H new ATOM 0 HE3 LYS B 35 -14.341 1.471 -14.679 1.00 24.11 H new ATOM 0 HZ1 LYS B 35 -14.474 3.853 -14.924 1.00 2.02 H new ATOM 0 HZ2 LYS B 35 -12.958 3.310 -15.463 1.00 2.02 H new ATOM 0 HZ3 LYS B 35 -14.153 3.746 -16.588 1.00 2.02 H new ATOM 1819 N LEU B 36 -10.853 0.671 -11.574 1.00 70.41 N ATOM 1820 CA LEU B 36 -10.851 0.049 -10.231 1.00 20.15 C ATOM 1821 C LEU B 36 -12.144 0.445 -9.484 1.00 10.25 C ATOM 1822 O LEU B 36 -12.582 1.594 -9.577 1.00 44.11 O ATOM 1823 CB LEU B 36 -9.588 0.479 -9.429 1.00 11.13 C ATOM 1824 CG LEU B 36 -8.212 0.081 -10.051 1.00 31.21 C ATOM 1825 CD1 LEU B 36 -7.035 0.648 -9.224 1.00 34.14 C ATOM 1826 CD2 LEU B 36 -8.096 -1.450 -10.248 1.00 63.25 C ATOM 0 H LEU B 36 -10.294 1.522 -11.638 1.00 70.41 H new ATOM 0 HA LEU B 36 -10.820 -1.036 -10.335 1.00 20.15 H new ATOM 0 HB2 LEU B 36 -9.610 1.562 -9.309 1.00 11.13 H new ATOM 0 HB3 LEU B 36 -9.651 0.046 -8.431 1.00 11.13 H new ATOM 0 HG LEU B 36 -8.157 0.533 -11.041 1.00 31.21 H new ATOM 0 HD11 LEU B 36 -6.092 0.353 -9.684 1.00 34.14 H new ATOM 0 HD12 LEU B 36 -7.100 1.736 -9.196 1.00 34.14 H new ATOM 0 HD13 LEU B 36 -7.082 0.256 -8.208 1.00 34.14 H new ATOM 0 HD21 LEU B 36 -7.125 -1.688 -10.683 1.00 63.25 H new ATOM 0 HD22 LEU B 36 -8.194 -1.949 -9.284 1.00 63.25 H new ATOM 0 HD23 LEU B 36 -8.887 -1.792 -10.916 1.00 63.25 H new ATOM 1838 N LYS B 37 -12.770 -0.506 -8.774 1.00 13.23 N ATOM 1839 CA LYS B 37 -14.045 -0.257 -8.060 1.00 25.44 C ATOM 1840 C LYS B 37 -13.792 0.338 -6.651 1.00 54.34 C ATOM 1841 O LYS B 37 -14.322 1.402 -6.302 1.00 62.21 O ATOM 1842 CB LYS B 37 -14.867 -1.571 -7.980 1.00 60.43 C ATOM 1843 CG LYS B 37 -16.249 -1.423 -7.300 1.00 52.33 C ATOM 1844 CD LYS B 37 -17.137 -2.675 -7.477 1.00 43.25 C ATOM 1845 CE LYS B 37 -18.506 -2.542 -6.785 1.00 52.51 C ATOM 1846 NZ LYS B 37 -18.378 -2.461 -5.304 1.00 24.23 N ATOM 0 H LYS B 37 -12.418 -1.458 -8.675 1.00 13.23 H new ATOM 0 HA LYS B 37 -14.622 0.480 -8.619 1.00 25.44 H new ATOM 0 HB2 LYS B 37 -15.012 -1.956 -8.989 1.00 60.43 H new ATOM 0 HB3 LYS B 37 -14.286 -2.315 -7.436 1.00 60.43 H new ATOM 0 HG2 LYS B 37 -16.107 -1.230 -6.237 1.00 52.33 H new ATOM 0 HG3 LYS B 37 -16.763 -0.556 -7.715 1.00 52.33 H new ATOM 0 HD2 LYS B 37 -17.290 -2.858 -8.541 1.00 43.25 H new ATOM 0 HD3 LYS B 37 -16.615 -3.544 -7.075 1.00 43.25 H new ATOM 0 HE2 LYS B 37 -19.013 -1.651 -7.154 1.00 52.51 H new ATOM 0 HE3 LYS B 37 -19.130 -3.396 -7.049 1.00 52.51 H new ATOM 0 HZ1 LYS B 37 -19.325 -2.458 -4.873 1.00 24.23 H new ATOM 0 HZ2 LYS B 37 -17.842 -3.282 -4.956 1.00 24.23 H new ATOM 0 HZ3 LYS B 37 -17.877 -1.587 -5.046 1.00 24.23 H new ATOM 1860 N ALA B 38 -12.935 -0.339 -5.869 1.00 12.20 N ATOM 1861 CA ALA B 38 -12.608 0.057 -4.480 1.00 21.12 C ATOM 1862 C ALA B 38 -11.326 0.911 -4.435 1.00 11.00 C ATOM 1863 O ALA B 38 -10.376 0.672 -5.185 1.00 3.21 O ATOM 1864 CB ALA B 38 -12.458 -1.187 -3.585 1.00 44.00 C ATOM 0 H ALA B 38 -12.446 -1.179 -6.179 1.00 12.20 H new ATOM 0 HA ALA B 38 -13.431 0.662 -4.100 1.00 21.12 H new ATOM 0 HB1 ALA B 38 -12.218 -0.877 -2.568 1.00 44.00 H new ATOM 0 HB2 ALA B 38 -13.393 -1.748 -3.582 1.00 44.00 H new ATOM 0 HB3 ALA B 38 -11.657 -1.818 -3.970 1.00 44.00 H new ATOM 1870 N ASP B 39 -11.323 1.928 -3.557 1.00 74.11 N ATOM 1871 CA ASP B 39 -10.119 2.742 -3.238 1.00 10.23 C ATOM 1872 C ASP B 39 -8.967 1.859 -2.684 1.00 42.53 C ATOM 1873 O ASP B 39 -7.793 2.195 -2.819 1.00 44.43 O ATOM 1874 CB ASP B 39 -10.500 3.847 -2.223 1.00 30.23 C ATOM 1875 CG ASP B 39 -11.255 3.290 -1.001 1.00 65.54 C ATOM 1876 OD1 ASP B 39 -10.606 2.826 -0.046 1.00 45.44 O ATOM 1877 OD2 ASP B 39 -12.503 3.294 -1.007 1.00 72.42 O ATOM 0 H ASP B 39 -12.155 2.217 -3.042 1.00 74.11 H new ATOM 0 HA ASP B 39 -9.758 3.204 -4.157 1.00 10.23 H new ATOM 0 HB2 ASP B 39 -9.596 4.355 -1.887 1.00 30.23 H new ATOM 0 HB3 ASP B 39 -11.119 4.594 -2.719 1.00 30.23 H new ATOM 1882 N LYS B 40 -9.354 0.734 -2.059 1.00 1.34 N ATOM 1883 CA LYS B 40 -8.438 -0.337 -1.594 1.00 32.30 C ATOM 1884 C LYS B 40 -7.490 -0.831 -2.720 1.00 71.03 C ATOM 1885 O LYS B 40 -6.297 -1.055 -2.482 1.00 22.43 O ATOM 1886 CB LYS B 40 -9.290 -1.521 -1.086 1.00 4.03 C ATOM 1887 CG LYS B 40 -10.192 -1.204 0.137 1.00 71.32 C ATOM 1888 CD LYS B 40 -9.477 -1.428 1.491 1.00 33.41 C ATOM 1889 CE LYS B 40 -10.441 -1.356 2.691 1.00 71.35 C ATOM 1890 NZ LYS B 40 -9.783 -1.757 3.956 1.00 62.32 N ATOM 0 H LYS B 40 -10.333 0.534 -1.856 1.00 1.34 H new ATOM 0 HA LYS B 40 -7.813 0.070 -0.799 1.00 32.30 H new ATOM 0 HB2 LYS B 40 -9.921 -1.871 -1.903 1.00 4.03 H new ATOM 0 HB3 LYS B 40 -8.623 -2.342 -0.823 1.00 4.03 H new ATOM 0 HG2 LYS B 40 -10.526 -0.168 0.076 1.00 71.32 H new ATOM 0 HG3 LYS B 40 -11.084 -1.830 0.096 1.00 71.32 H new ATOM 0 HD2 LYS B 40 -8.987 -2.402 1.482 1.00 33.41 H new ATOM 0 HD3 LYS B 40 -8.695 -0.678 1.613 1.00 33.41 H new ATOM 0 HE2 LYS B 40 -10.824 -0.340 2.788 1.00 71.35 H new ATOM 0 HE3 LYS B 40 -11.298 -2.004 2.507 1.00 71.35 H new ATOM 0 HZ1 LYS B 40 -10.353 -2.488 4.427 1.00 62.32 H new ATOM 0 HZ2 LYS B 40 -8.836 -2.135 3.750 1.00 62.32 H new ATOM 0 HZ3 LYS B 40 -9.697 -0.929 4.580 1.00 62.32 H new ATOM 1904 N ASP B 41 -8.043 -0.975 -3.950 1.00 24.52 N ATOM 1905 CA ASP B 41 -7.266 -1.376 -5.146 1.00 54.03 C ATOM 1906 C ASP B 41 -6.195 -0.316 -5.490 1.00 5.32 C ATOM 1907 O ASP B 41 -5.074 -0.645 -5.908 1.00 34.34 O ATOM 1908 CB ASP B 41 -8.194 -1.568 -6.374 1.00 11.44 C ATOM 1909 CG ASP B 41 -9.318 -2.588 -6.152 1.00 3.31 C ATOM 1910 OD1 ASP B 41 -9.019 -3.751 -5.805 1.00 41.02 O ATOM 1911 OD2 ASP B 41 -10.508 -2.245 -6.363 1.00 74.02 O ATOM 0 H ASP B 41 -9.033 -0.817 -4.139 1.00 24.52 H new ATOM 0 HA ASP B 41 -6.778 -2.322 -4.911 1.00 54.03 H new ATOM 0 HB2 ASP B 41 -8.636 -0.607 -6.637 1.00 11.44 H new ATOM 0 HB3 ASP B 41 -7.592 -1.885 -7.226 1.00 11.44 H new ATOM 1916 N PHE B 42 -6.576 0.962 -5.302 1.00 72.54 N ATOM 1917 CA PHE B 42 -5.698 2.112 -5.561 1.00 64.03 C ATOM 1918 C PHE B 42 -4.505 2.154 -4.578 1.00 74.21 C ATOM 1919 O PHE B 42 -3.383 2.367 -4.996 1.00 33.23 O ATOM 1920 CB PHE B 42 -6.495 3.444 -5.491 1.00 14.14 C ATOM 1921 CG PHE B 42 -5.648 4.682 -5.776 1.00 72.30 C ATOM 1922 CD1 PHE B 42 -5.278 4.993 -7.078 1.00 23.40 C ATOM 1923 CD2 PHE B 42 -5.204 5.522 -4.746 1.00 41.22 C ATOM 1924 CE1 PHE B 42 -4.501 6.097 -7.346 1.00 22.13 C ATOM 1925 CE2 PHE B 42 -4.425 6.630 -5.024 1.00 0.12 C ATOM 1926 CZ PHE B 42 -4.075 6.916 -6.328 1.00 21.54 C ATOM 0 H PHE B 42 -7.503 1.223 -4.966 1.00 72.54 H new ATOM 0 HA PHE B 42 -5.300 1.992 -6.568 1.00 64.03 H new ATOM 0 HB2 PHE B 42 -7.316 3.404 -6.207 1.00 14.14 H new ATOM 0 HB3 PHE B 42 -6.940 3.539 -4.501 1.00 14.14 H new ATOM 0 HD1 PHE B 42 -5.604 4.361 -7.890 1.00 23.40 H new ATOM 0 HD2 PHE B 42 -5.473 5.301 -3.724 1.00 41.22 H new ATOM 0 HE1 PHE B 42 -4.224 6.322 -8.365 1.00 22.13 H new ATOM 0 HE2 PHE B 42 -4.091 7.271 -4.222 1.00 0.12 H new ATOM 0 HZ PHE B 42 -3.468 7.782 -6.548 1.00 21.54 H new ATOM 1936 N PHE B 43 -4.762 1.962 -3.271 1.00 71.02 N ATOM 1937 CA PHE B 43 -3.710 2.083 -2.218 1.00 51.44 C ATOM 1938 C PHE B 43 -2.670 0.936 -2.279 1.00 21.14 C ATOM 1939 O PHE B 43 -1.485 1.154 -2.014 1.00 54.55 O ATOM 1940 CB PHE B 43 -4.352 2.149 -0.809 1.00 30.54 C ATOM 1941 CG PHE B 43 -5.357 3.287 -0.640 1.00 12.35 C ATOM 1942 CD1 PHE B 43 -5.023 4.598 -0.990 1.00 5.21 C ATOM 1943 CD2 PHE B 43 -6.630 3.050 -0.134 1.00 34.25 C ATOM 1944 CE1 PHE B 43 -5.938 5.623 -0.843 1.00 61.24 C ATOM 1945 CE2 PHE B 43 -7.540 4.075 0.012 1.00 53.25 C ATOM 1946 CZ PHE B 43 -7.195 5.362 -0.342 1.00 61.23 C ATOM 0 H PHE B 43 -5.685 1.722 -2.909 1.00 71.02 H new ATOM 0 HA PHE B 43 -3.176 3.013 -2.415 1.00 51.44 H new ATOM 0 HB2 PHE B 43 -4.852 1.202 -0.603 1.00 30.54 H new ATOM 0 HB3 PHE B 43 -3.563 2.261 -0.066 1.00 30.54 H new ATOM 0 HD1 PHE B 43 -4.039 4.812 -1.380 1.00 5.21 H new ATOM 0 HD2 PHE B 43 -6.911 2.046 0.149 1.00 34.25 H new ATOM 0 HE1 PHE B 43 -5.667 6.631 -1.121 1.00 61.24 H new ATOM 0 HE2 PHE B 43 -8.525 3.870 0.404 1.00 53.25 H new ATOM 0 HZ PHE B 43 -7.909 6.164 -0.227 1.00 61.23 H new ATOM 1956 N LEU B 44 -3.129 -0.280 -2.621 1.00 12.04 N ATOM 1957 CA LEU B 44 -2.245 -1.463 -2.791 1.00 51.33 C ATOM 1958 C LEU B 44 -1.405 -1.356 -4.091 1.00 34.15 C ATOM 1959 O LEU B 44 -0.215 -1.698 -4.097 1.00 54.14 O ATOM 1960 CB LEU B 44 -3.090 -2.775 -2.768 1.00 33.35 C ATOM 1961 CG LEU B 44 -3.443 -3.353 -1.350 1.00 44.12 C ATOM 1962 CD1 LEU B 44 -4.104 -2.307 -0.423 1.00 51.24 C ATOM 1963 CD2 LEU B 44 -4.313 -4.628 -1.475 1.00 1.12 C ATOM 0 H LEU B 44 -4.116 -0.478 -2.788 1.00 12.04 H new ATOM 0 HA LEU B 44 -1.545 -1.491 -1.956 1.00 51.33 H new ATOM 0 HB2 LEU B 44 -4.021 -2.591 -3.304 1.00 33.35 H new ATOM 0 HB3 LEU B 44 -2.548 -3.540 -3.324 1.00 33.35 H new ATOM 0 HG LEU B 44 -2.500 -3.626 -0.877 1.00 44.12 H new ATOM 0 HD11 LEU B 44 -4.325 -2.764 0.542 1.00 51.24 H new ATOM 0 HD12 LEU B 44 -3.424 -1.467 -0.280 1.00 51.24 H new ATOM 0 HD13 LEU B 44 -5.029 -1.952 -0.877 1.00 51.24 H new ATOM 0 HD21 LEU B 44 -4.544 -5.010 -0.481 1.00 1.12 H new ATOM 0 HD22 LEU B 44 -5.240 -4.387 -1.996 1.00 1.12 H new ATOM 0 HD23 LEU B 44 -3.768 -5.387 -2.037 1.00 1.12 H new ATOM 1975 N GLY B 45 -2.044 -0.870 -5.177 1.00 14.14 N ATOM 1976 CA GLY B 45 -1.350 -0.623 -6.451 1.00 32.31 C ATOM 1977 C GLY B 45 -0.316 0.510 -6.358 1.00 72.02 C ATOM 1978 O GLY B 45 0.859 0.309 -6.639 1.00 0.23 O ATOM 0 H GLY B 45 -3.038 -0.642 -5.193 1.00 14.14 H new ATOM 0 HA2 GLY B 45 -0.851 -1.538 -6.771 1.00 32.31 H new ATOM 0 HA3 GLY B 45 -2.085 -0.376 -7.217 1.00 32.31 H new ATOM 1982 N LEU B 46 -0.777 1.696 -5.925 1.00 1.31 N ATOM 1983 CA LEU B 46 0.080 2.892 -5.692 1.00 22.10 C ATOM 1984 C LEU B 46 1.203 2.616 -4.657 1.00 20.14 C ATOM 1985 O LEU B 46 2.324 3.119 -4.786 1.00 62.23 O ATOM 1986 CB LEU B 46 -0.784 4.089 -5.201 1.00 11.34 C ATOM 1987 CG LEU B 46 -0.018 5.429 -4.968 1.00 21.23 C ATOM 1988 CD1 LEU B 46 0.572 5.956 -6.287 1.00 11.20 C ATOM 1989 CD2 LEU B 46 -0.906 6.483 -4.265 1.00 25.22 C ATOM 0 H LEU B 46 -1.763 1.862 -5.722 1.00 1.31 H new ATOM 0 HA LEU B 46 0.550 3.136 -6.645 1.00 22.10 H new ATOM 0 HB2 LEU B 46 -1.574 4.266 -5.931 1.00 11.34 H new ATOM 0 HB3 LEU B 46 -1.270 3.803 -4.268 1.00 11.34 H new ATOM 0 HG LEU B 46 0.814 5.227 -4.293 1.00 21.23 H new ATOM 0 HD11 LEU B 46 1.101 6.891 -6.101 1.00 11.20 H new ATOM 0 HD12 LEU B 46 1.266 5.221 -6.695 1.00 11.20 H new ATOM 0 HD13 LEU B 46 -0.233 6.131 -7.001 1.00 11.20 H new ATOM 0 HD21 LEU B 46 -0.336 7.401 -4.121 1.00 25.22 H new ATOM 0 HD22 LEU B 46 -1.780 6.691 -4.881 1.00 25.22 H new ATOM 0 HD23 LEU B 46 -1.228 6.100 -3.297 1.00 25.22 H new ATOM 2001 N GLY B 47 0.877 1.800 -3.643 1.00 53.22 N ATOM 2002 CA GLY B 47 1.844 1.388 -2.609 1.00 1.04 C ATOM 2003 C GLY B 47 2.990 0.559 -3.186 1.00 42.52 C ATOM 2004 O GLY B 47 4.139 0.619 -2.709 1.00 24.21 O ATOM 0 H GLY B 47 -0.056 1.409 -3.515 1.00 53.22 H new ATOM 0 HA2 GLY B 47 2.249 2.274 -2.120 1.00 1.04 H new ATOM 0 HA3 GLY B 47 1.329 0.809 -1.843 1.00 1.04 H new ATOM 2008 N TRP B 48 2.665 -0.212 -4.243 1.00 63.50 N ATOM 2009 CA TRP B 48 3.651 -0.979 -5.015 1.00 1.31 C ATOM 2010 C TRP B 48 4.471 -0.034 -5.948 1.00 14.34 C ATOM 2011 O TRP B 48 5.653 -0.251 -6.163 1.00 33.31 O ATOM 2012 CB TRP B 48 2.948 -2.105 -5.821 1.00 63.34 C ATOM 2013 CG TRP B 48 3.888 -3.194 -6.287 1.00 3.41 C ATOM 2014 CD1 TRP B 48 4.599 -3.244 -7.451 1.00 10.42 C ATOM 2015 CD2 TRP B 48 4.224 -4.381 -5.565 1.00 11.14 C ATOM 2016 NE1 TRP B 48 5.372 -4.375 -7.482 1.00 44.31 N ATOM 2017 CE2 TRP B 48 5.145 -5.100 -6.345 1.00 24.01 C ATOM 2018 CE3 TRP B 48 3.833 -4.899 -4.329 1.00 2.32 C ATOM 2019 CZ2 TRP B 48 5.682 -6.312 -5.930 1.00 11.50 C ATOM 2020 CZ3 TRP B 48 4.365 -6.099 -3.920 1.00 4.41 C ATOM 2021 CH2 TRP B 48 5.282 -6.796 -4.718 1.00 51.54 C ATOM 0 H TRP B 48 1.709 -0.317 -4.582 1.00 63.50 H new ATOM 0 HA TRP B 48 4.351 -1.450 -4.324 1.00 1.31 H new ATOM 0 HB2 TRP B 48 2.168 -2.550 -5.203 1.00 63.34 H new ATOM 0 HB3 TRP B 48 2.456 -1.666 -6.689 1.00 63.34 H new ATOM 0 HD1 TRP B 48 4.558 -2.501 -8.233 1.00 10.42 H new ATOM 0 HE1 TRP B 48 6.013 -4.634 -8.232 1.00 44.31 H new ATOM 0 HE3 TRP B 48 3.127 -4.368 -3.707 1.00 2.32 H new ATOM 0 HZ2 TRP B 48 6.389 -6.851 -6.543 1.00 11.50 H new ATOM 0 HZ3 TRP B 48 4.071 -6.512 -2.966 1.00 4.41 H new ATOM 0 HH2 TRP B 48 5.681 -7.736 -4.367 1.00 51.54 H new ATOM 2032 N LEU B 49 3.835 1.028 -6.477 1.00 1.14 N ATOM 2033 CA LEU B 49 4.544 2.100 -7.250 1.00 42.12 C ATOM 2034 C LEU B 49 5.604 2.824 -6.375 1.00 52.44 C ATOM 2035 O LEU B 49 6.637 3.284 -6.884 1.00 53.33 O ATOM 2036 CB LEU B 49 3.525 3.136 -7.822 1.00 51.13 C ATOM 2037 CG LEU B 49 2.848 2.811 -9.188 1.00 31.33 C ATOM 2038 CD1 LEU B 49 2.328 1.393 -9.226 1.00 42.44 C ATOM 2039 CD2 LEU B 49 1.711 3.812 -9.497 1.00 52.10 C ATOM 0 H LEU B 49 2.830 1.179 -6.390 1.00 1.14 H new ATOM 0 HA LEU B 49 5.060 1.617 -8.080 1.00 42.12 H new ATOM 0 HB2 LEU B 49 2.737 3.274 -7.082 1.00 51.13 H new ATOM 0 HB3 LEU B 49 4.039 4.092 -7.922 1.00 51.13 H new ATOM 0 HG LEU B 49 3.612 2.909 -9.959 1.00 31.33 H new ATOM 0 HD11 LEU B 49 1.863 1.202 -10.193 1.00 42.44 H new ATOM 0 HD12 LEU B 49 3.155 0.698 -9.078 1.00 42.44 H new ATOM 0 HD13 LEU B 49 1.591 1.254 -8.435 1.00 42.44 H new ATOM 0 HD21 LEU B 49 1.256 3.562 -10.456 1.00 52.10 H new ATOM 0 HD22 LEU B 49 0.956 3.759 -8.712 1.00 52.10 H new ATOM 0 HD23 LEU B 49 2.118 4.822 -9.541 1.00 52.10 H new ATOM 2051 N LEU B 50 5.311 2.941 -5.062 1.00 71.30 N ATOM 2052 CA LEU B 50 6.243 3.509 -4.064 1.00 24.01 C ATOM 2053 C LEU B 50 7.457 2.575 -3.815 1.00 55.14 C ATOM 2054 O LEU B 50 8.586 3.062 -3.654 1.00 72.11 O ATOM 2055 CB LEU B 50 5.501 3.806 -2.726 1.00 55.32 C ATOM 2056 CG LEU B 50 4.370 4.886 -2.788 1.00 4.15 C ATOM 2057 CD1 LEU B 50 3.651 5.030 -1.425 1.00 72.23 C ATOM 2058 CD2 LEU B 50 4.917 6.247 -3.290 1.00 0.41 C ATOM 0 H LEU B 50 4.420 2.644 -4.664 1.00 71.30 H new ATOM 0 HA LEU B 50 6.625 4.446 -4.469 1.00 24.01 H new ATOM 0 HB2 LEU B 50 5.066 2.875 -2.361 1.00 55.32 H new ATOM 0 HB3 LEU B 50 6.238 4.124 -1.989 1.00 55.32 H new ATOM 0 HG LEU B 50 3.629 4.545 -3.511 1.00 4.15 H new ATOM 0 HD11 LEU B 50 2.872 5.788 -1.503 1.00 72.23 H new ATOM 0 HD12 LEU B 50 3.203 4.076 -1.147 1.00 72.23 H new ATOM 0 HD13 LEU B 50 4.372 5.328 -0.663 1.00 72.23 H new ATOM 0 HD21 LEU B 50 4.107 6.975 -3.322 1.00 0.41 H new ATOM 0 HD22 LEU B 50 5.695 6.599 -2.612 1.00 0.41 H new ATOM 0 HD23 LEU B 50 5.334 6.125 -4.289 1.00 0.41 H new ATOM 2070 N ARG B 51 7.229 1.233 -3.770 1.00 45.43 N ATOM 2071 CA ARG B 51 8.337 0.251 -3.591 1.00 5.15 C ATOM 2072 C ARG B 51 9.167 0.098 -4.886 1.00 72.34 C ATOM 2073 O ARG B 51 10.332 -0.314 -4.840 1.00 51.51 O ATOM 2074 CB ARG B 51 7.819 -1.134 -3.065 1.00 1.33 C ATOM 2075 CG ARG B 51 6.989 -2.016 -4.043 1.00 55.54 C ATOM 2076 CD ARG B 51 7.704 -3.296 -4.541 1.00 51.35 C ATOM 2077 NE ARG B 51 8.861 -3.010 -5.405 1.00 25.42 N ATOM 2078 CZ ARG B 51 9.144 -3.589 -6.552 1.00 30.24 C ATOM 2079 NH1 ARG B 51 8.348 -4.455 -7.094 1.00 42.05 N ATOM 2080 NH2 ARG B 51 10.217 -3.247 -7.170 1.00 72.05 N ATOM 0 H ARG B 51 6.304 0.811 -3.854 1.00 45.43 H new ATOM 0 HA ARG B 51 8.999 0.650 -2.822 1.00 5.15 H new ATOM 0 HB2 ARG B 51 8.683 -1.714 -2.742 1.00 1.33 H new ATOM 0 HB3 ARG B 51 7.210 -0.950 -2.180 1.00 1.33 H new ATOM 0 HG2 ARG B 51 6.062 -2.306 -3.549 1.00 55.54 H new ATOM 0 HG3 ARG B 51 6.714 -1.412 -4.908 1.00 55.54 H new ATOM 0 HD2 ARG B 51 8.035 -3.878 -3.681 1.00 51.35 H new ATOM 0 HD3 ARG B 51 6.992 -3.913 -5.089 1.00 51.35 H new ATOM 0 HE ARG B 51 9.508 -2.291 -5.082 1.00 25.42 H new ATOM 0 HH11 ARG B 51 7.474 -4.705 -6.631 1.00 42.05 H new ATOM 0 HH12 ARG B 51 8.595 -4.887 -7.984 1.00 42.05 H new ATOM 0 HH21 ARG B 51 10.832 -2.538 -6.770 1.00 72.05 H new ATOM 0 HH22 ARG B 51 10.454 -3.684 -8.061 1.00 72.05 H new ATOM 2094 N GLU B 52 8.543 0.404 -6.042 1.00 11.22 N ATOM 2095 CA GLU B 52 9.239 0.488 -7.351 1.00 40.13 C ATOM 2096 C GLU B 52 9.965 1.846 -7.497 1.00 13.54 C ATOM 2097 O GLU B 52 10.822 2.009 -8.377 1.00 63.41 O ATOM 2098 CB GLU B 52 8.226 0.311 -8.513 1.00 3.45 C ATOM 2099 CG GLU B 52 7.503 -1.046 -8.531 1.00 52.44 C ATOM 2100 CD GLU B 52 6.446 -1.160 -9.642 1.00 30.04 C ATOM 2101 OE1 GLU B 52 5.423 -0.446 -9.581 1.00 43.32 O ATOM 2102 OE2 GLU B 52 6.647 -1.938 -10.598 1.00 43.35 O ATOM 0 H GLU B 52 7.544 0.600 -6.099 1.00 11.22 H new ATOM 0 HA GLU B 52 9.977 -0.313 -7.394 1.00 40.13 H new ATOM 0 HB2 GLU B 52 7.481 1.104 -8.452 1.00 3.45 H new ATOM 0 HB3 GLU B 52 8.752 0.440 -9.459 1.00 3.45 H new ATOM 0 HG2 GLU B 52 8.239 -1.840 -8.657 1.00 52.44 H new ATOM 0 HG3 GLU B 52 7.023 -1.207 -7.565 1.00 52.44 H new ATOM 2109 N ASP B 53 9.543 2.818 -6.651 1.00 73.42 N ATOM 2110 CA ASP B 53 10.124 4.179 -6.555 1.00 53.11 C ATOM 2111 C ASP B 53 9.886 4.999 -7.860 1.00 51.44 C ATOM 2112 O ASP B 53 10.507 6.044 -8.081 1.00 72.41 O ATOM 2113 CB ASP B 53 11.638 4.083 -6.163 1.00 15.23 C ATOM 2114 CG ASP B 53 12.106 5.212 -5.232 1.00 51.52 C ATOM 2115 OD1 ASP B 53 11.907 5.094 -4.003 1.00 53.33 O ATOM 2116 OD2 ASP B 53 12.678 6.209 -5.711 1.00 70.41 O ATOM 0 H ASP B 53 8.770 2.673 -6.001 1.00 73.42 H new ATOM 0 HA ASP B 53 9.612 4.729 -5.765 1.00 53.11 H new ATOM 0 HB2 ASP B 53 11.819 3.124 -5.677 1.00 15.23 H new ATOM 0 HB3 ASP B 53 12.241 4.099 -7.071 1.00 15.23 H new ATOM 2121 N LYS B 54 8.924 4.526 -8.684 1.00 61.01 N ATOM 2122 CA LYS B 54 8.619 5.101 -10.015 1.00 33.03 C ATOM 2123 C LYS B 54 7.633 6.285 -9.952 1.00 73.34 C ATOM 2124 O LYS B 54 7.374 6.917 -10.985 1.00 31.12 O ATOM 2125 CB LYS B 54 8.066 4.003 -10.980 1.00 22.21 C ATOM 2126 CG LYS B 54 9.134 3.021 -11.507 1.00 0.52 C ATOM 2127 CD LYS B 54 8.649 2.100 -12.666 1.00 22.13 C ATOM 2128 CE LYS B 54 7.773 0.910 -12.217 1.00 1.22 C ATOM 2129 NZ LYS B 54 6.376 1.281 -11.874 1.00 3.34 N ATOM 0 H LYS B 54 8.334 3.730 -8.443 1.00 61.01 H new ATOM 0 HA LYS B 54 9.562 5.488 -10.400 1.00 33.03 H new ATOM 0 HB2 LYS B 54 7.293 3.436 -10.461 1.00 22.21 H new ATOM 0 HB3 LYS B 54 7.587 4.491 -11.829 1.00 22.21 H new ATOM 0 HG2 LYS B 54 9.997 3.592 -11.850 1.00 0.52 H new ATOM 0 HG3 LYS B 54 9.474 2.396 -10.681 1.00 0.52 H new ATOM 0 HD2 LYS B 54 8.085 2.701 -13.379 1.00 22.13 H new ATOM 0 HD3 LYS B 54 9.520 1.714 -13.195 1.00 22.13 H new ATOM 0 HE2 LYS B 54 7.755 0.165 -13.013 1.00 1.22 H new ATOM 0 HE3 LYS B 54 8.236 0.439 -11.350 1.00 1.22 H new ATOM 0 HZ1 LYS B 54 5.734 0.513 -12.155 1.00 3.34 H new ATOM 0 HZ2 LYS B 54 6.300 1.438 -10.849 1.00 3.34 H new ATOM 0 HZ3 LYS B 54 6.114 2.152 -12.378 1.00 3.34 H new ATOM 2143 N VAL B 55 7.074 6.585 -8.757 1.00 12.53 N ATOM 2144 CA VAL B 55 6.103 7.706 -8.584 1.00 4.55 C ATOM 2145 C VAL B 55 6.404 8.570 -7.342 1.00 43.02 C ATOM 2146 O VAL B 55 7.147 8.168 -6.441 1.00 62.22 O ATOM 2147 CB VAL B 55 4.610 7.218 -8.494 1.00 62.12 C ATOM 2148 CG1 VAL B 55 4.205 6.404 -9.740 1.00 71.10 C ATOM 2149 CG2 VAL B 55 4.346 6.447 -7.173 1.00 63.53 C ATOM 0 H VAL B 55 7.273 6.073 -7.898 1.00 12.53 H new ATOM 0 HA VAL B 55 6.228 8.309 -9.483 1.00 4.55 H new ATOM 0 HB VAL B 55 3.972 8.101 -8.477 1.00 62.12 H new ATOM 0 HG11 VAL B 55 3.168 6.083 -9.644 1.00 71.10 H new ATOM 0 HG12 VAL B 55 4.312 7.024 -10.630 1.00 71.10 H new ATOM 0 HG13 VAL B 55 4.849 5.529 -9.828 1.00 71.10 H new ATOM 0 HG21 VAL B 55 3.306 6.124 -7.142 1.00 63.53 H new ATOM 0 HG22 VAL B 55 4.999 5.575 -7.124 1.00 63.53 H new ATOM 0 HG23 VAL B 55 4.548 7.100 -6.324 1.00 63.53 H new ATOM 2159 N VAL B 56 5.789 9.762 -7.327 1.00 71.15 N ATOM 2160 CA VAL B 56 5.819 10.705 -6.204 1.00 22.31 C ATOM 2161 C VAL B 56 4.396 11.260 -5.950 1.00 65.22 C ATOM 2162 O VAL B 56 3.685 11.646 -6.887 1.00 44.14 O ATOM 2163 CB VAL B 56 6.867 11.863 -6.455 1.00 0.24 C ATOM 2164 CG1 VAL B 56 6.622 12.579 -7.808 1.00 13.24 C ATOM 2165 CG2 VAL B 56 6.910 12.865 -5.267 1.00 45.25 C ATOM 0 H VAL B 56 5.243 10.104 -8.118 1.00 71.15 H new ATOM 0 HA VAL B 56 6.145 10.177 -5.308 1.00 22.31 H new ATOM 0 HB VAL B 56 7.851 11.398 -6.517 1.00 0.24 H new ATOM 0 HG11 VAL B 56 7.363 13.367 -7.942 1.00 13.24 H new ATOM 0 HG12 VAL B 56 6.707 11.859 -8.622 1.00 13.24 H new ATOM 0 HG13 VAL B 56 5.623 13.015 -7.813 1.00 13.24 H new ATOM 0 HG21 VAL B 56 7.641 13.646 -5.476 1.00 45.25 H new ATOM 0 HG22 VAL B 56 5.926 13.315 -5.135 1.00 45.25 H new ATOM 0 HG23 VAL B 56 7.193 12.337 -4.356 1.00 45.25 H new ATOM 2175 N THR B 57 3.988 11.278 -4.671 1.00 11.35 N ATOM 2176 CA THR B 57 2.618 11.639 -4.252 1.00 32.30 C ATOM 2177 C THR B 57 2.596 13.057 -3.633 1.00 32.42 C ATOM 2178 O THR B 57 3.434 13.386 -2.780 1.00 22.24 O ATOM 2179 CB THR B 57 2.063 10.604 -3.215 1.00 42.03 C ATOM 2180 OG1 THR B 57 2.913 10.569 -2.049 1.00 43.43 O ATOM 2181 CG2 THR B 57 1.960 9.185 -3.812 1.00 5.52 C ATOM 0 H THR B 57 4.601 11.041 -3.891 1.00 11.35 H new ATOM 0 HA THR B 57 1.982 11.626 -5.137 1.00 32.30 H new ATOM 0 HB THR B 57 1.060 10.928 -2.939 1.00 42.03 H new ATOM 0 HG1 THR B 57 3.373 11.429 -1.954 1.00 43.43 H new ATOM 0 HG21 THR B 57 1.571 8.501 -3.058 1.00 5.52 H new ATOM 0 HG22 THR B 57 1.288 9.199 -4.670 1.00 5.52 H new ATOM 0 HG23 THR B 57 2.948 8.851 -4.130 1.00 5.52 H new ATOM 2189 N SER B 58 1.620 13.876 -4.051 1.00 33.34 N ATOM 2190 CA SER B 58 1.441 15.267 -3.563 1.00 15.31 C ATOM 2191 C SER B 58 -0.001 15.483 -3.057 1.00 55.14 C ATOM 2192 O SER B 58 -0.923 14.733 -3.411 1.00 10.32 O ATOM 2193 CB SER B 58 1.773 16.292 -4.683 1.00 24.54 C ATOM 2194 OG SER B 58 0.839 16.235 -5.750 1.00 3.23 O ATOM 0 H SER B 58 0.923 13.597 -4.742 1.00 33.34 H new ATOM 0 HA SER B 58 2.131 15.425 -2.734 1.00 15.31 H new ATOM 0 HB2 SER B 58 1.782 17.298 -4.263 1.00 24.54 H new ATOM 0 HB3 SER B 58 2.774 16.098 -5.067 1.00 24.54 H new ATOM 0 HG SER B 58 0.583 15.303 -5.912 1.00 3.23 H new ATOM 2200 N GLU B 59 -0.182 16.518 -2.226 1.00 55.12 N ATOM 2201 CA GLU B 59 -1.490 16.875 -1.644 1.00 24.32 C ATOM 2202 C GLU B 59 -2.153 18.022 -2.444 1.00 61.51 C ATOM 2203 O GLU B 59 -1.717 19.177 -2.369 1.00 20.20 O ATOM 2204 CB GLU B 59 -1.308 17.280 -0.151 1.00 42.43 C ATOM 2205 CG GLU B 59 -2.600 17.743 0.561 1.00 2.11 C ATOM 2206 CD GLU B 59 -3.680 16.654 0.639 1.00 1.11 C ATOM 2207 OE1 GLU B 59 -4.491 16.535 -0.304 1.00 30.34 O ATOM 2208 OE2 GLU B 59 -3.711 15.896 1.638 1.00 73.43 O ATOM 0 H GLU B 59 0.576 17.136 -1.935 1.00 55.12 H new ATOM 0 HA GLU B 59 -2.147 16.007 -1.698 1.00 24.32 H new ATOM 0 HB2 GLU B 59 -0.896 16.430 0.393 1.00 42.43 H new ATOM 0 HB3 GLU B 59 -0.572 18.082 -0.095 1.00 42.43 H new ATOM 0 HG2 GLU B 59 -2.352 18.070 1.571 1.00 2.11 H new ATOM 0 HG3 GLU B 59 -3.005 18.608 0.036 1.00 2.11 H new ATOM 2215 N VAL B 60 -3.177 17.688 -3.254 1.00 32.53 N ATOM 2216 CA VAL B 60 -4.011 18.687 -3.960 1.00 14.23 C ATOM 2217 C VAL B 60 -5.470 18.646 -3.443 1.00 72.12 C ATOM 2218 O VAL B 60 -6.202 17.682 -3.691 1.00 13.11 O ATOM 2219 CB VAL B 60 -3.965 18.468 -5.528 1.00 54.34 C ATOM 2220 CG1 VAL B 60 -5.005 19.342 -6.284 1.00 13.35 C ATOM 2221 CG2 VAL B 60 -2.538 18.736 -6.066 1.00 60.32 C ATOM 0 H VAL B 60 -3.450 16.723 -3.438 1.00 32.53 H new ATOM 0 HA VAL B 60 -3.600 19.674 -3.749 1.00 14.23 H new ATOM 0 HB VAL B 60 -4.231 17.428 -5.714 1.00 54.34 H new ATOM 0 HG11 VAL B 60 -4.930 19.152 -7.355 1.00 13.35 H new ATOM 0 HG12 VAL B 60 -6.009 19.092 -5.941 1.00 13.35 H new ATOM 0 HG13 VAL B 60 -4.806 20.396 -6.087 1.00 13.35 H new ATOM 0 HG21 VAL B 60 -2.521 18.582 -7.145 1.00 60.32 H new ATOM 0 HG22 VAL B 60 -2.252 19.764 -5.842 1.00 60.32 H new ATOM 0 HG23 VAL B 60 -1.835 18.052 -5.591 1.00 60.32 H new ATOM 2231 N GLU B 61 -5.854 19.717 -2.711 1.00 74.41 N ATOM 2232 CA GLU B 61 -7.255 20.014 -2.309 1.00 1.10 C ATOM 2233 C GLU B 61 -7.921 18.887 -1.461 1.00 3.04 C ATOM 2234 O GLU B 61 -9.134 18.650 -1.560 1.00 32.11 O ATOM 2235 CB GLU B 61 -8.093 20.344 -3.580 1.00 3.41 C ATOM 2236 CG GLU B 61 -7.492 21.456 -4.472 1.00 45.21 C ATOM 2237 CD GLU B 61 -8.374 21.829 -5.675 1.00 54.12 C ATOM 2238 OE1 GLU B 61 -9.536 22.243 -5.462 1.00 52.15 O ATOM 2239 OE2 GLU B 61 -7.910 21.735 -6.836 1.00 52.35 O ATOM 0 H GLU B 61 -5.189 20.414 -2.375 1.00 74.41 H new ATOM 0 HA GLU B 61 -7.227 20.880 -1.648 1.00 1.10 H new ATOM 0 HB2 GLU B 61 -8.201 19.437 -4.175 1.00 3.41 H new ATOM 0 HB3 GLU B 61 -9.095 20.644 -3.272 1.00 3.41 H new ATOM 0 HG2 GLU B 61 -7.326 22.346 -3.865 1.00 45.21 H new ATOM 0 HG3 GLU B 61 -6.517 21.131 -4.835 1.00 45.21 H new ATOM 2246 N GLY B 62 -7.123 18.230 -0.599 1.00 42.11 N ATOM 2247 CA GLY B 62 -7.617 17.127 0.250 1.00 64.44 C ATOM 2248 C GLY B 62 -7.679 15.767 -0.470 1.00 54.31 C ATOM 2249 O GLY B 62 -8.241 14.800 0.061 1.00 31.23 O ATOM 0 H GLY B 62 -6.134 18.443 -0.471 1.00 42.11 H new ATOM 0 HA2 GLY B 62 -6.971 17.036 1.123 1.00 64.44 H new ATOM 0 HA3 GLY B 62 -8.612 17.380 0.615 1.00 64.44 H new ATOM 2253 N GLU B 63 -7.085 15.699 -1.679 1.00 60.32 N ATOM 2254 CA GLU B 63 -7.068 14.488 -2.538 1.00 71.12 C ATOM 2255 C GLU B 63 -5.622 14.099 -2.938 1.00 43.40 C ATOM 2256 O GLU B 63 -4.723 14.951 -2.997 1.00 34.14 O ATOM 2257 CB GLU B 63 -7.916 14.729 -3.818 1.00 13.21 C ATOM 2258 CG GLU B 63 -9.393 15.068 -3.557 1.00 54.14 C ATOM 2259 CD GLU B 63 -10.219 15.157 -4.846 1.00 53.51 C ATOM 2260 OE1 GLU B 63 -10.265 16.233 -5.476 1.00 73.43 O ATOM 2261 OE2 GLU B 63 -10.825 14.134 -5.244 1.00 72.03 O ATOM 0 H GLU B 63 -6.596 16.492 -2.095 1.00 60.32 H new ATOM 0 HA GLU B 63 -7.497 13.667 -1.964 1.00 71.12 H new ATOM 0 HB2 GLU B 63 -7.466 15.542 -4.387 1.00 13.21 H new ATOM 0 HB3 GLU B 63 -7.867 13.837 -4.443 1.00 13.21 H new ATOM 0 HG2 GLU B 63 -9.826 14.309 -2.905 1.00 54.14 H new ATOM 0 HG3 GLU B 63 -9.455 16.017 -3.025 1.00 54.14 H new ATOM 2268 N ILE B 64 -5.411 12.796 -3.216 1.00 32.10 N ATOM 2269 CA ILE B 64 -4.104 12.266 -3.655 1.00 33.44 C ATOM 2270 C ILE B 64 -3.873 12.576 -5.150 1.00 3.03 C ATOM 2271 O ILE B 64 -4.592 12.063 -6.003 1.00 43.21 O ATOM 2272 CB ILE B 64 -4.008 10.708 -3.423 1.00 1.02 C ATOM 2273 CG1 ILE B 64 -4.255 10.356 -1.921 1.00 33.11 C ATOM 2274 CG2 ILE B 64 -2.648 10.141 -3.919 1.00 14.04 C ATOM 2275 CD1 ILE B 64 -4.216 8.868 -1.591 1.00 5.31 C ATOM 0 H ILE B 64 -6.138 12.085 -3.143 1.00 32.10 H new ATOM 0 HA ILE B 64 -3.334 12.754 -3.057 1.00 33.44 H new ATOM 0 HB ILE B 64 -4.791 10.234 -4.014 1.00 1.02 H new ATOM 0 HG12 ILE B 64 -3.505 10.866 -1.316 1.00 33.11 H new ATOM 0 HG13 ILE B 64 -5.226 10.753 -1.626 1.00 33.11 H new ATOM 0 HG21 ILE B 64 -2.616 9.066 -3.744 1.00 14.04 H new ATOM 0 HG22 ILE B 64 -2.539 10.338 -4.985 1.00 14.04 H new ATOM 0 HG23 ILE B 64 -1.834 10.621 -3.376 1.00 14.04 H new ATOM 0 HD11 ILE B 64 -4.398 8.727 -0.526 1.00 5.31 H new ATOM 0 HD12 ILE B 64 -4.985 8.348 -2.163 1.00 5.31 H new ATOM 0 HD13 ILE B 64 -3.237 8.464 -1.848 1.00 5.31 H new ATOM 2287 N PHE B 65 -2.878 13.424 -5.443 1.00 70.33 N ATOM 2288 CA PHE B 65 -2.414 13.695 -6.820 1.00 52.53 C ATOM 2289 C PHE B 65 -1.002 13.108 -6.980 1.00 45.01 C ATOM 2290 O PHE B 65 -0.046 13.605 -6.389 1.00 44.13 O ATOM 2291 CB PHE B 65 -2.419 15.219 -7.115 1.00 30.44 C ATOM 2292 CG PHE B 65 -1.940 15.597 -8.525 1.00 33.32 C ATOM 2293 CD1 PHE B 65 -2.801 15.517 -9.616 1.00 21.24 C ATOM 2294 CD2 PHE B 65 -0.623 16.017 -8.759 1.00 54.33 C ATOM 2295 CE1 PHE B 65 -2.371 15.842 -10.888 1.00 30.31 C ATOM 2296 CE2 PHE B 65 -0.193 16.336 -10.034 1.00 53.31 C ATOM 2297 CZ PHE B 65 -1.069 16.250 -11.098 1.00 53.35 C ATOM 0 H PHE B 65 -2.367 13.946 -4.732 1.00 70.33 H new ATOM 0 HA PHE B 65 -3.089 13.227 -7.536 1.00 52.53 H new ATOM 0 HB2 PHE B 65 -3.431 15.600 -6.974 1.00 30.44 H new ATOM 0 HB3 PHE B 65 -1.785 15.720 -6.383 1.00 30.44 H new ATOM 0 HD1 PHE B 65 -3.821 15.196 -9.466 1.00 21.24 H new ATOM 0 HD2 PHE B 65 0.066 16.093 -7.931 1.00 54.33 H new ATOM 0 HE1 PHE B 65 -3.056 15.777 -11.721 1.00 30.31 H new ATOM 0 HE2 PHE B 65 0.827 16.652 -10.197 1.00 53.31 H new ATOM 0 HZ PHE B 65 -0.736 16.502 -12.094 1.00 53.35 H new ATOM 2307 N VAL B 66 -0.876 12.049 -7.775 1.00 71.24 N ATOM 2308 CA VAL B 66 0.402 11.337 -7.966 1.00 50.04 C ATOM 2309 C VAL B 66 0.880 11.447 -9.432 1.00 44.15 C ATOM 2310 O VAL B 66 0.071 11.560 -10.358 1.00 40.35 O ATOM 2311 CB VAL B 66 0.274 9.835 -7.508 1.00 70.24 C ATOM 2312 CG1 VAL B 66 -0.858 9.098 -8.260 1.00 2.10 C ATOM 2313 CG2 VAL B 66 1.624 9.095 -7.641 1.00 70.40 C ATOM 0 H VAL B 66 -1.651 11.654 -8.308 1.00 71.24 H new ATOM 0 HA VAL B 66 1.158 11.811 -7.340 1.00 50.04 H new ATOM 0 HB VAL B 66 0.002 9.838 -6.453 1.00 70.24 H new ATOM 0 HG11 VAL B 66 -0.912 8.066 -7.914 1.00 2.10 H new ATOM 0 HG12 VAL B 66 -1.808 9.596 -8.066 1.00 2.10 H new ATOM 0 HG13 VAL B 66 -0.653 9.112 -9.330 1.00 2.10 H new ATOM 0 HG21 VAL B 66 1.505 8.061 -7.318 1.00 70.40 H new ATOM 0 HG22 VAL B 66 1.949 9.115 -8.681 1.00 70.40 H new ATOM 0 HG23 VAL B 66 2.371 9.586 -7.018 1.00 70.40 H new ATOM 2323 N LYS B 67 2.211 11.442 -9.620 1.00 62.40 N ATOM 2324 CA LYS B 67 2.861 11.544 -10.945 1.00 72.35 C ATOM 2325 C LYS B 67 4.153 10.715 -10.954 1.00 0.33 C ATOM 2326 O LYS B 67 4.633 10.318 -9.901 1.00 74.32 O ATOM 2327 CB LYS B 67 3.153 13.034 -11.264 1.00 54.30 C ATOM 2328 CG LYS B 67 3.983 13.776 -10.186 1.00 51.23 C ATOM 2329 CD LYS B 67 4.149 15.284 -10.483 1.00 35.23 C ATOM 2330 CE LYS B 67 4.869 15.557 -11.814 1.00 61.51 C ATOM 2331 NZ LYS B 67 5.007 17.008 -12.071 1.00 3.23 N ATOM 0 H LYS B 67 2.876 11.366 -8.850 1.00 62.40 H new ATOM 0 HA LYS B 67 2.197 11.149 -11.714 1.00 72.35 H new ATOM 0 HB2 LYS B 67 3.684 13.091 -12.214 1.00 54.30 H new ATOM 0 HB3 LYS B 67 2.205 13.556 -11.396 1.00 54.30 H new ATOM 0 HG2 LYS B 67 3.501 13.653 -9.216 1.00 51.23 H new ATOM 0 HG3 LYS B 67 4.968 13.315 -10.113 1.00 51.23 H new ATOM 0 HD2 LYS B 67 3.166 15.755 -10.504 1.00 35.23 H new ATOM 0 HD3 LYS B 67 4.708 15.749 -9.671 1.00 35.23 H new ATOM 0 HE2 LYS B 67 5.856 15.095 -11.796 1.00 61.51 H new ATOM 0 HE3 LYS B 67 4.315 15.093 -12.630 1.00 61.51 H new ATOM 0 HZ1 LYS B 67 5.497 17.155 -12.977 1.00 3.23 H new ATOM 0 HZ2 LYS B 67 4.064 17.444 -12.113 1.00 3.23 H new ATOM 0 HZ3 LYS B 67 5.557 17.445 -11.305 1.00 3.23 H new ATOM 2345 N LEU B 68 4.727 10.465 -12.139 1.00 22.14 N ATOM 2346 CA LEU B 68 5.973 9.673 -12.258 1.00 12.55 C ATOM 2347 C LEU B 68 7.213 10.503 -11.842 1.00 51.10 C ATOM 2348 O LEU B 68 7.199 11.743 -11.912 1.00 54.42 O ATOM 2349 CB LEU B 68 6.153 9.148 -13.705 1.00 21.12 C ATOM 2350 CG LEU B 68 4.979 8.315 -14.309 1.00 45.41 C ATOM 2351 CD1 LEU B 68 5.358 7.736 -15.690 1.00 2.15 C ATOM 2352 CD2 LEU B 68 4.523 7.209 -13.343 1.00 41.35 C ATOM 0 H LEU B 68 4.355 10.796 -13.029 1.00 22.14 H new ATOM 0 HA LEU B 68 5.886 8.824 -11.580 1.00 12.55 H new ATOM 0 HB2 LEU B 68 6.331 10.004 -14.356 1.00 21.12 H new ATOM 0 HB3 LEU B 68 7.053 8.534 -13.733 1.00 21.12 H new ATOM 0 HG LEU B 68 4.135 8.990 -14.455 1.00 45.41 H new ATOM 0 HD11 LEU B 68 4.521 7.161 -16.086 1.00 2.15 H new ATOM 0 HD12 LEU B 68 5.594 8.551 -16.374 1.00 2.15 H new ATOM 0 HD13 LEU B 68 6.227 7.087 -15.586 1.00 2.15 H new ATOM 0 HD21 LEU B 68 3.705 6.647 -13.793 1.00 41.35 H new ATOM 0 HD22 LEU B 68 5.356 6.536 -13.141 1.00 41.35 H new ATOM 0 HD23 LEU B 68 4.184 7.658 -12.409 1.00 41.35 H new ATOM 2364 N VAL B 69 8.291 9.812 -11.413 1.00 11.11 N ATOM 2365 CA VAL B 69 9.584 10.465 -11.093 1.00 53.25 C ATOM 2366 C VAL B 69 10.426 10.660 -12.376 1.00 11.22 C ATOM 2367 O VAL B 69 11.409 9.957 -12.633 1.00 52.31 O ATOM 2368 CB VAL B 69 10.413 9.695 -9.984 1.00 14.40 C ATOM 2369 CG1 VAL B 69 11.681 10.494 -9.559 1.00 74.43 C ATOM 2370 CG2 VAL B 69 9.535 9.369 -8.757 1.00 1.41 C ATOM 0 H VAL B 69 8.294 8.801 -11.279 1.00 11.11 H new ATOM 0 HA VAL B 69 9.345 11.442 -10.672 1.00 53.25 H new ATOM 0 HB VAL B 69 10.745 8.754 -10.423 1.00 14.40 H new ATOM 0 HG11 VAL B 69 12.225 9.935 -8.797 1.00 74.43 H new ATOM 0 HG12 VAL B 69 12.324 10.645 -10.426 1.00 74.43 H new ATOM 0 HG13 VAL B 69 11.383 11.462 -9.156 1.00 74.43 H new ATOM 0 HG21 VAL B 69 10.131 8.841 -8.013 1.00 1.41 H new ATOM 0 HG22 VAL B 69 9.154 10.295 -8.326 1.00 1.41 H new ATOM 0 HG23 VAL B 69 8.699 8.741 -9.064 1.00 1.41 H new ATOM 2380 N LEU B 70 9.943 11.570 -13.231 1.00 1.32 N ATOM 2381 CA LEU B 70 10.705 12.127 -14.373 1.00 0.41 C ATOM 2382 C LEU B 70 11.019 13.619 -14.102 1.00 5.43 C ATOM 2383 O LEU B 70 11.879 14.217 -14.760 1.00 30.13 O ATOM 2384 CB LEU B 70 9.922 11.947 -15.714 1.00 15.11 C ATOM 2385 CG LEU B 70 9.969 10.517 -16.362 1.00 44.04 C ATOM 2386 CD1 LEU B 70 9.225 9.449 -15.535 1.00 23.30 C ATOM 2387 CD2 LEU B 70 9.457 10.549 -17.822 1.00 3.32 C ATOM 0 H LEU B 70 9.000 11.950 -13.154 1.00 1.32 H new ATOM 0 HA LEU B 70 11.643 11.582 -14.475 1.00 0.41 H new ATOM 0 HB2 LEU B 70 8.879 12.209 -15.538 1.00 15.11 H new ATOM 0 HB3 LEU B 70 10.313 12.663 -16.437 1.00 15.11 H new ATOM 0 HG LEU B 70 11.018 10.220 -16.369 1.00 44.04 H new ATOM 0 HD11 LEU B 70 9.296 8.485 -16.038 1.00 23.30 H new ATOM 0 HD12 LEU B 70 9.676 9.376 -14.545 1.00 23.30 H new ATOM 0 HD13 LEU B 70 8.177 9.730 -15.436 1.00 23.30 H new ATOM 0 HD21 LEU B 70 9.501 9.545 -18.245 1.00 3.32 H new ATOM 0 HD22 LEU B 70 8.427 10.905 -17.839 1.00 3.32 H new ATOM 0 HD23 LEU B 70 10.082 11.219 -18.412 1.00 3.32 H new ATOM 2399 N GLU B 71 10.322 14.202 -13.101 1.00 72.42 N ATOM 2400 CA GLU B 71 10.529 15.595 -12.680 1.00 54.41 C ATOM 2401 C GLU B 71 11.858 15.746 -11.897 1.00 21.44 C ATOM 2402 O GLU B 71 11.948 15.391 -10.718 1.00 54.25 O ATOM 2403 CB GLU B 71 9.314 16.107 -11.846 1.00 72.44 C ATOM 2404 CG GLU B 71 9.403 17.590 -11.400 1.00 71.34 C ATOM 2405 CD GLU B 71 9.626 18.577 -12.566 1.00 43.20 C ATOM 2406 OE1 GLU B 71 8.636 19.054 -13.161 1.00 63.15 O ATOM 2407 OE2 GLU B 71 10.795 18.876 -12.894 1.00 71.14 O ATOM 0 H GLU B 71 9.602 13.716 -12.566 1.00 72.42 H new ATOM 0 HA GLU B 71 10.603 16.214 -13.574 1.00 54.41 H new ATOM 0 HB2 GLU B 71 8.407 15.974 -12.435 1.00 72.44 H new ATOM 0 HB3 GLU B 71 9.212 15.482 -10.959 1.00 72.44 H new ATOM 0 HG2 GLU B 71 8.484 17.859 -10.879 1.00 71.34 H new ATOM 0 HG3 GLU B 71 10.218 17.697 -10.685 1.00 71.34 H new ATOM 2414 N HIS B 72 12.905 16.211 -12.606 1.00 74.31 N ATOM 2415 CA HIS B 72 14.227 16.547 -12.011 1.00 11.13 C ATOM 2416 C HIS B 72 14.686 17.959 -12.465 1.00 11.12 C ATOM 2417 O HIS B 72 15.808 18.383 -12.176 1.00 20.14 O ATOM 2418 CB HIS B 72 15.280 15.475 -12.404 1.00 2.23 C ATOM 2419 CG HIS B 72 14.897 14.064 -12.014 1.00 14.34 C ATOM 2420 ND1 HIS B 72 14.151 13.237 -12.832 1.00 53.52 N ATOM 2421 CD2 HIS B 72 15.140 13.339 -10.892 1.00 51.42 C ATOM 2422 CE1 HIS B 72 13.957 12.080 -12.237 1.00 1.23 C ATOM 2423 NE2 HIS B 72 14.543 12.114 -11.063 1.00 61.33 N ATOM 0 H HIS B 72 12.864 16.367 -13.613 1.00 74.31 H new ATOM 0 HA HIS B 72 14.129 16.554 -10.925 1.00 11.13 H new ATOM 0 HB2 HIS B 72 15.437 15.513 -13.482 1.00 2.23 H new ATOM 0 HB3 HIS B 72 16.231 15.725 -11.934 1.00 2.23 H new ATOM 0 HD1 HIS B 72 13.803 13.486 -13.758 1.00 53.52 H new ATOM 0 HD2 HIS B 72 15.698 13.665 -10.027 1.00 51.42 H new ATOM 0 HE1 HIS B 72 13.409 11.244 -12.645 1.00 1.23 H new ATOM 2432 N HIS B 73 13.788 18.686 -13.162 1.00 4.42 N ATOM 2433 CA HIS B 73 14.066 20.039 -13.701 1.00 5.02 C ATOM 2434 C HIS B 73 13.849 21.097 -12.598 1.00 62.31 C ATOM 2435 O HIS B 73 14.586 22.081 -12.503 1.00 11.23 O ATOM 2436 CB HIS B 73 13.139 20.346 -14.910 1.00 31.12 C ATOM 2437 CG HIS B 73 13.080 19.256 -15.952 1.00 71.40 C ATOM 2438 ND1 HIS B 73 13.734 19.329 -17.161 1.00 42.11 N ATOM 2439 CD2 HIS B 73 12.409 18.075 -15.968 1.00 31.21 C ATOM 2440 CE1 HIS B 73 13.468 18.252 -17.871 1.00 53.23 C ATOM 2441 NE2 HIS B 73 12.668 17.476 -17.173 1.00 74.31 N ATOM 0 H HIS B 73 12.846 18.353 -13.369 1.00 4.42 H new ATOM 0 HA HIS B 73 15.102 20.072 -14.037 1.00 5.02 H new ATOM 0 HB2 HIS B 73 12.131 20.531 -14.540 1.00 31.12 H new ATOM 0 HB3 HIS B 73 13.478 21.267 -15.385 1.00 31.12 H new ATOM 0 HD2 HIS B 73 11.787 17.681 -15.178 1.00 31.21 H new ATOM 0 HE1 HIS B 73 13.844 18.041 -18.861 1.00 53.23 H new ATOM 0 HE2 HIS B 73 12.300 16.575 -17.479 1.00 74.31 H new ATOM 2450 N HIS B 74 12.819 20.863 -11.765 1.00 11.10 N ATOM 2451 CA HIS B 74 12.473 21.727 -10.612 1.00 42.33 C ATOM 2452 C HIS B 74 13.266 21.280 -9.348 1.00 22.50 C ATOM 2453 O HIS B 74 12.700 21.034 -8.280 1.00 31.23 O ATOM 2454 CB HIS B 74 10.935 21.685 -10.380 1.00 33.22 C ATOM 2455 CG HIS B 74 10.116 22.299 -11.498 1.00 2.52 C ATOM 2456 ND1 HIS B 74 9.080 23.182 -11.275 1.00 22.41 N ATOM 2457 CD2 HIS B 74 10.173 22.140 -12.844 1.00 54.44 C ATOM 2458 CE1 HIS B 74 8.542 23.531 -12.427 1.00 22.34 C ATOM 2459 NE2 HIS B 74 9.185 22.919 -13.391 1.00 30.44 N ATOM 0 H HIS B 74 12.195 20.063 -11.871 1.00 11.10 H new ATOM 0 HA HIS B 74 12.756 22.759 -10.822 1.00 42.33 H new ATOM 0 HB2 HIS B 74 10.628 20.647 -10.249 1.00 33.22 H new ATOM 0 HB3 HIS B 74 10.706 22.205 -9.450 1.00 33.22 H new ATOM 0 HD2 HIS B 74 10.868 21.515 -13.385 1.00 54.44 H new ATOM 0 HE1 HIS B 74 7.710 24.208 -12.555 1.00 22.34 H new ATOM 0 HE2 HIS B 74 8.984 23.008 -14.387 1.00 30.44 H new ATOM 2468 N HIS B 75 14.603 21.225 -9.496 1.00 20.32 N ATOM 2469 CA HIS B 75 15.544 20.699 -8.472 1.00 1.41 C ATOM 2470 C HIS B 75 16.275 21.860 -7.721 1.00 60.04 C ATOM 2471 O HIS B 75 17.357 21.675 -7.155 1.00 24.01 O ATOM 2472 CB HIS B 75 16.536 19.733 -9.200 1.00 34.43 C ATOM 2473 CG HIS B 75 17.519 19.005 -8.317 1.00 32.33 C ATOM 2474 ND1 HIS B 75 18.884 19.145 -8.436 1.00 52.42 N ATOM 2475 CD2 HIS B 75 17.328 18.144 -7.288 1.00 22.05 C ATOM 2476 CE1 HIS B 75 19.487 18.412 -7.527 1.00 12.43 C ATOM 2477 NE2 HIS B 75 18.570 17.794 -6.815 1.00 43.31 N ATOM 0 H HIS B 75 15.074 21.548 -10.341 1.00 20.32 H new ATOM 0 HA HIS B 75 15.006 20.150 -7.699 1.00 1.41 H new ATOM 0 HB2 HIS B 75 15.954 18.993 -9.749 1.00 34.43 H new ATOM 0 HB3 HIS B 75 17.097 20.308 -9.937 1.00 34.43 H new ATOM 0 HD2 HIS B 75 16.377 17.798 -6.910 1.00 22.05 H new ATOM 0 HE1 HIS B 75 20.555 18.331 -7.388 1.00 12.43 H new ATOM 0 HE2 HIS B 75 18.751 17.158 -6.038 1.00 43.31 H new ATOM 2486 N HIS B 76 15.640 23.053 -7.682 1.00 72.24 N ATOM 2487 CA HIS B 76 16.165 24.241 -6.950 1.00 74.23 C ATOM 2488 C HIS B 76 16.377 23.938 -5.435 1.00 34.14 C ATOM 2489 O HIS B 76 17.321 24.438 -4.819 1.00 52.34 O ATOM 2490 CB HIS B 76 15.202 25.446 -7.140 1.00 21.32 C ATOM 2491 CG HIS B 76 15.662 26.739 -6.499 1.00 3.52 C ATOM 2492 ND1 HIS B 76 16.557 27.607 -7.095 1.00 4.40 N ATOM 2493 CD2 HIS B 76 15.347 27.306 -5.304 1.00 53.41 C ATOM 2494 CE1 HIS B 76 16.772 28.637 -6.300 1.00 70.13 C ATOM 2495 NE2 HIS B 76 16.051 28.480 -5.213 1.00 74.13 N ATOM 0 H HIS B 76 14.752 23.225 -8.153 1.00 72.24 H new ATOM 0 HA HIS B 76 17.140 24.493 -7.368 1.00 74.23 H new ATOM 0 HB2 HIS B 76 15.063 25.616 -8.208 1.00 21.32 H new ATOM 0 HB3 HIS B 76 14.227 25.181 -6.730 1.00 21.32 H new ATOM 0 HD2 HIS B 76 14.669 26.907 -4.564 1.00 53.41 H new ATOM 0 HE1 HIS B 76 17.429 29.469 -6.507 1.00 70.13 H new ATOM 0 HE2 HIS B 76 16.020 29.128 -4.426 1.00 74.13 H new ATOM 2504 N HIS B 77 15.477 23.113 -4.863 1.00 4.33 N ATOM 2505 CA HIS B 77 15.569 22.637 -3.463 1.00 42.14 C ATOM 2506 C HIS B 77 16.733 21.630 -3.300 1.00 42.41 C ATOM 2507 O HIS B 77 17.375 21.543 -2.243 1.00 44.30 O ATOM 2508 CB HIS B 77 14.205 22.002 -3.057 1.00 55.53 C ATOM 2509 CG HIS B 77 14.162 21.337 -1.702 1.00 74.22 C ATOM 2510 ND1 HIS B 77 13.961 22.026 -0.524 1.00 35.15 N ATOM 2511 CD2 HIS B 77 14.279 20.029 -1.347 1.00 71.04 C ATOM 2512 CE1 HIS B 77 13.958 21.180 0.488 1.00 64.40 C ATOM 2513 NE2 HIS B 77 14.149 19.966 0.016 1.00 31.32 N ATOM 0 H HIS B 77 14.661 22.755 -5.359 1.00 4.33 H new ATOM 0 HA HIS B 77 15.780 23.478 -2.802 1.00 42.14 H new ATOM 0 HB2 HIS B 77 13.443 22.781 -3.082 1.00 55.53 H new ATOM 0 HB3 HIS B 77 13.932 21.264 -3.811 1.00 55.53 H new ATOM 0 HD2 HIS B 77 14.444 19.196 -2.014 1.00 71.04 H new ATOM 0 HE1 HIS B 77 13.822 21.439 1.528 1.00 64.40 H new ATOM 0 HE2 HIS B 77 14.193 19.114 0.575 1.00 31.32 H new TER 2522 HIS B 77