USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= 1.81 (180deg=0.399!) USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.19) USER MOD Single : A 29 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -134:sc= -0.0399 USER MOD Single : A 35 HIS : no HD1:sc= -0.519 K(o=-0.52,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 1.29 (180deg=0.995) USER MOD Single : A 40 MET CE :methyl 174:sc=-0.00585 (180deg=-0.0403) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -36:sc= -0.343 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 2.29 (180deg=1.32) USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= 1.93 (180deg=0.173!) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 2.25 (180deg=1.92) USER MOD Single : A 50 SER OG : rot 74:sc= 1.23 USER MOD Single : A 51 TYR OH : rot -130:sc= -0.875 USER MOD Single : A 52 CYS SG : rot 68:sc= 0.842 USER MOD Single : A 53 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.1!) USER MOD Single : A 55 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.22) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 61 SER OG : rot -78:sc= 1.26 USER MOD Single : A 69 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= -0.0675 K(o=-0.067,f=-0.62) USER MOD Single : A 75 HIS : no HD1:sc= 0.847 K(o=0.85,f=-4.8!) USER MOD Single : A 76 THR OG1 : rot -71:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.321 K(o=-0.32,f=-0.94) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : B 357 ASN : amide:sc=-0.00954 X(o=-0.0095,f=-0.093) USER MOD Single : B 358 ASN : amide:sc= 0.0155 K(o=0.016,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.626 5.499 10.376 1.00 10.00 N ATOM 2 CA TYR A 21 2.740 5.255 8.922 1.00 10.00 C ATOM 3 C TYR A 21 1.438 4.668 8.397 1.00 10.00 C ATOM 4 O TYR A 21 0.492 4.478 9.161 1.00 10.00 O ATOM 5 CB TYR A 21 3.900 4.302 8.627 1.00 10.00 C ATOM 6 CG TYR A 21 5.260 4.860 8.988 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.738 6.016 8.387 1.00 10.00 C ATOM 8 CD2 TYR A 21 6.066 4.228 9.929 1.00 10.00 C ATOM 9 CE1 TYR A 21 6.980 6.529 8.714 1.00 10.00 C ATOM 10 CE2 TYR A 21 7.308 4.736 10.259 1.00 10.00 C ATOM 11 CZ TYR A 21 7.760 5.886 9.650 1.00 10.00 C ATOM 12 OH TYR A 21 8.995 6.395 9.983 1.00 10.00 O ATOM 0 HA TYR A 21 2.936 6.203 8.421 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.742 3.373 9.175 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.891 4.052 7.566 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.130 6.523 7.652 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.716 3.326 10.409 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.337 7.430 8.238 1.00 10.00 H new ATOM 0 HE2 TYR A 21 7.922 4.233 10.992 1.00 10.00 H new ATOM 0 HH TYR A 21 9.414 5.822 10.659 1.00 10.00 H new ATOM 22 N ILE A 22 1.390 4.385 7.104 1.00 10.00 N ATOM 23 CA ILE A 22 0.198 3.818 6.486 1.00 10.00 C ATOM 24 C ILE A 22 0.480 2.395 6.018 1.00 10.00 C ATOM 25 O ILE A 22 1.427 2.159 5.269 1.00 10.00 O ATOM 26 CB ILE A 22 -0.267 4.665 5.276 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.387 6.148 5.654 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.592 4.145 4.736 1.00 10.00 C ATOM 29 CD1 ILE A 22 -1.474 6.440 6.668 1.00 10.00 C ATOM 0 H ILE A 22 2.165 4.539 6.459 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.594 3.815 7.235 1.00 10.00 H new ATOM 0 HB ILE A 22 0.487 4.575 4.494 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.568 6.489 6.053 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.581 6.728 4.752 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.902 4.753 3.886 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.474 3.109 4.417 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.350 4.200 5.517 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -1.494 7.509 6.882 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.439 6.132 6.266 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -1.272 5.890 7.587 1.00 10.00 H new ATOM 41 N LYS A 23 -0.321 1.446 6.473 1.00 10.00 N ATOM 42 CA LYS A 23 -0.141 0.058 6.083 1.00 10.00 C ATOM 43 C LYS A 23 -1.165 -0.333 5.025 1.00 10.00 C ATOM 44 O LYS A 23 -2.368 -0.382 5.292 1.00 10.00 O ATOM 45 CB LYS A 23 -0.264 -0.855 7.302 1.00 10.00 C ATOM 46 CG LYS A 23 -0.037 -2.324 6.994 1.00 10.00 C ATOM 47 CD LYS A 23 -0.698 -3.226 8.023 1.00 10.00 C ATOM 48 CE LYS A 23 -2.203 -3.303 7.817 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.938 -2.322 8.658 1.00 10.00 N ATOM 0 H LYS A 23 -1.100 1.611 7.111 1.00 10.00 H new ATOM 0 HA LYS A 23 0.857 -0.057 5.660 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.455 -0.536 8.057 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.256 -0.734 7.736 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.431 -2.553 6.004 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.033 -2.528 6.966 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.270 -4.226 7.959 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.486 -2.852 9.025 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.434 -3.123 6.767 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.549 -4.310 8.051 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.827 -2.747 8.991 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.353 -2.059 9.476 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.149 -1.473 8.096 1.00 10.00 H new ATOM 63 N LEU A 24 -0.685 -0.600 3.821 1.00 10.00 N ATOM 64 CA LEU A 24 -1.557 -0.985 2.724 1.00 10.00 C ATOM 65 C LEU A 24 -1.568 -2.500 2.564 1.00 10.00 C ATOM 66 O LEU A 24 -0.519 -3.146 2.608 1.00 10.00 O ATOM 67 CB LEU A 24 -1.098 -0.328 1.419 1.00 10.00 C ATOM 68 CG LEU A 24 -0.963 1.197 1.459 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.400 1.716 0.146 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.307 1.846 1.748 1.00 10.00 C ATOM 0 H LEU A 24 0.305 -0.557 3.579 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.567 -0.645 2.953 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.134 -0.753 1.138 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.804 -0.592 0.632 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.273 1.458 2.261 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.311 2.801 0.192 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.583 1.278 -0.027 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.068 1.441 -0.670 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.190 2.929 1.772 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -3.017 1.575 0.967 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.679 1.499 2.712 1.00 10.00 H new ATOM 82 N LYS A 25 -2.754 -3.059 2.382 1.00 10.00 N ATOM 83 CA LYS A 25 -2.904 -4.495 2.215 1.00 10.00 C ATOM 84 C LYS A 25 -2.945 -4.863 0.738 1.00 10.00 C ATOM 85 O LYS A 25 -3.880 -4.502 0.021 1.00 10.00 O ATOM 86 CB LYS A 25 -4.174 -4.996 2.904 1.00 10.00 C ATOM 87 CG LYS A 25 -4.017 -5.217 4.400 1.00 10.00 C ATOM 88 CD LYS A 25 -5.155 -6.057 4.962 1.00 10.00 C ATOM 89 CE LYS A 25 -5.027 -7.521 4.558 1.00 10.00 C ATOM 90 NZ LYS A 25 -6.178 -8.337 5.034 1.00 10.00 N ATOM 0 H LYS A 25 -3.630 -2.537 2.346 1.00 10.00 H new ATOM 0 HA LYS A 25 -2.041 -4.974 2.678 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -4.975 -4.277 2.735 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.483 -5.932 2.439 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -3.066 -5.712 4.598 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.988 -4.254 4.910 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.163 -5.979 6.049 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -6.108 -5.663 4.607 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.957 -7.592 3.473 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -4.101 -7.929 4.964 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.979 -9.345 4.873 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -6.324 -8.171 6.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -7.036 -8.065 4.512 1.00 10.00 H new ATOM 104 N VAL A 26 -1.923 -5.571 0.295 1.00 10.00 N ATOM 105 CA VAL A 26 -1.828 -6.007 -1.089 1.00 10.00 C ATOM 106 C VAL A 26 -2.344 -7.433 -1.211 1.00 10.00 C ATOM 107 O VAL A 26 -1.929 -8.309 -0.457 1.00 10.00 O ATOM 108 CB VAL A 26 -0.373 -5.957 -1.603 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.339 -5.920 -3.121 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.374 -4.766 -1.021 1.00 10.00 C ATOM 0 H VAL A 26 -1.138 -5.860 0.879 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.431 -5.329 -1.693 1.00 10.00 H new ATOM 0 HB VAL A 26 0.130 -6.865 -1.270 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.696 -5.885 -3.461 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.821 -6.813 -3.518 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.867 -5.035 -3.475 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.396 -4.757 -1.401 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.129 -3.844 -1.311 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.392 -4.843 0.066 1.00 10.00 H new ATOM 120 N ILE A 27 -3.257 -7.664 -2.135 1.00 10.00 N ATOM 121 CA ILE A 27 -3.809 -8.997 -2.322 1.00 10.00 C ATOM 122 C ILE A 27 -3.172 -9.681 -3.525 1.00 10.00 C ATOM 123 O ILE A 27 -3.400 -9.286 -4.671 1.00 10.00 O ATOM 124 CB ILE A 27 -5.344 -8.964 -2.495 1.00 10.00 C ATOM 125 CG1 ILE A 27 -6.003 -8.230 -1.320 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.903 -10.378 -2.622 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.785 -8.896 0.027 1.00 10.00 C ATOM 0 H ILE A 27 -3.631 -6.954 -2.764 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.581 -9.566 -1.421 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.572 -8.422 -3.413 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.615 -7.212 -1.277 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.074 -8.155 -1.507 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.985 -10.332 -2.743 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.461 -10.867 -3.490 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.662 -10.946 -1.724 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.282 -8.316 0.804 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.199 -9.904 0.006 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.717 -8.947 0.239 1.00 10.00 H new ATOM 139 N GLY A 28 -2.353 -10.689 -3.254 1.00 10.00 N ATOM 140 CA GLY A 28 -1.699 -11.426 -4.316 1.00 10.00 C ATOM 141 C GLY A 28 -2.632 -12.404 -5.009 1.00 10.00 C ATOM 142 O GLY A 28 -3.769 -12.610 -4.575 1.00 10.00 O ATOM 0 H GLY A 28 -2.130 -11.010 -2.312 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -1.304 -10.724 -5.050 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.848 -11.970 -3.905 1.00 10.00 H new ATOM 146 N GLN A 29 -2.139 -13.028 -6.072 1.00 10.00 N ATOM 147 CA GLN A 29 -2.930 -13.980 -6.844 1.00 10.00 C ATOM 148 C GLN A 29 -3.184 -15.269 -6.061 1.00 10.00 C ATOM 149 O GLN A 29 -4.210 -15.926 -6.243 1.00 10.00 O ATOM 150 CB GLN A 29 -2.226 -14.306 -8.165 1.00 10.00 C ATOM 151 CG GLN A 29 -3.109 -15.041 -9.165 1.00 10.00 C ATOM 152 CD GLN A 29 -4.124 -14.132 -9.831 1.00 10.00 C ATOM 153 OE1 GLN A 29 -3.869 -13.577 -10.898 1.00 10.00 O ATOM 154 NE2 GLN A 29 -5.281 -13.973 -9.209 1.00 10.00 N ATOM 0 H GLN A 29 -1.190 -12.891 -6.421 1.00 10.00 H new ATOM 0 HA GLN A 29 -3.894 -13.515 -7.050 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -1.874 -13.379 -8.617 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -1.345 -14.913 -7.957 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -2.481 -15.499 -9.929 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -3.632 -15.850 -8.655 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -5.455 -14.451 -8.325 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -5.999 -13.372 -9.614 1.00 10.00 H new ATOM 163 N ASP A 30 -2.254 -15.626 -5.183 1.00 10.00 N ATOM 164 CA ASP A 30 -2.384 -16.845 -4.391 1.00 10.00 C ATOM 165 C ASP A 30 -2.767 -16.526 -2.945 1.00 10.00 C ATOM 166 O ASP A 30 -2.270 -17.148 -2.003 1.00 10.00 O ATOM 167 CB ASP A 30 -1.081 -17.660 -4.450 1.00 10.00 C ATOM 168 CG ASP A 30 0.102 -16.968 -3.795 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.383 -15.801 -4.143 1.00 10.00 O ATOM 170 OD2 ASP A 30 0.767 -17.600 -2.943 1.00 10.00 O ATOM 0 H ASP A 30 -1.404 -15.092 -5.001 1.00 10.00 H new ATOM 0 HA ASP A 30 -3.187 -17.446 -4.818 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -1.242 -18.622 -3.964 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.839 -17.866 -5.493 1.00 10.00 H new ATOM 175 N SER A 31 -3.672 -15.556 -2.786 1.00 10.00 N ATOM 176 CA SER A 31 -4.149 -15.131 -1.469 1.00 10.00 C ATOM 177 C SER A 31 -2.996 -14.665 -0.585 1.00 10.00 C ATOM 178 O SER A 31 -2.988 -14.884 0.628 1.00 10.00 O ATOM 179 CB SER A 31 -4.922 -16.263 -0.789 1.00 10.00 C ATOM 180 OG SER A 31 -6.157 -16.501 -1.449 1.00 10.00 O ATOM 0 H SER A 31 -4.092 -15.046 -3.563 1.00 10.00 H new ATOM 0 HA SER A 31 -4.821 -14.285 -1.614 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.322 -17.173 -0.793 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.106 -16.008 0.255 1.00 10.00 H new ATOM 0 HG SER A 31 -6.633 -17.229 -0.999 1.00 10.00 H new ATOM 186 N SER A 32 -2.024 -14.024 -1.204 1.00 10.00 N ATOM 187 CA SER A 32 -0.872 -13.516 -0.495 1.00 10.00 C ATOM 188 C SER A 32 -1.142 -12.095 -0.016 1.00 10.00 C ATOM 189 O SER A 32 -0.981 -11.140 -0.772 1.00 10.00 O ATOM 190 CB SER A 32 0.345 -13.557 -1.417 1.00 10.00 C ATOM 191 OG SER A 32 -0.064 -13.639 -2.775 1.00 10.00 O ATOM 0 H SER A 32 -2.013 -13.843 -2.208 1.00 10.00 H new ATOM 0 HA SER A 32 -0.673 -14.137 0.379 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.953 -12.665 -1.267 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.970 -14.414 -1.167 1.00 10.00 H new ATOM 0 HG SER A 32 0.462 -14.326 -3.234 1.00 10.00 H new ATOM 197 N GLU A 33 -1.601 -11.960 1.223 1.00 10.00 N ATOM 198 CA GLU A 33 -1.882 -10.648 1.787 1.00 10.00 C ATOM 199 C GLU A 33 -0.580 -9.985 2.226 1.00 10.00 C ATOM 200 O GLU A 33 0.013 -10.357 3.240 1.00 10.00 O ATOM 201 CB GLU A 33 -2.839 -10.753 2.976 1.00 10.00 C ATOM 202 CG GLU A 33 -4.045 -11.645 2.729 1.00 10.00 C ATOM 203 CD GLU A 33 -4.856 -11.878 3.989 1.00 10.00 C ATOM 204 OE1 GLU A 33 -5.611 -10.963 4.393 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.749 -12.978 4.577 1.00 10.00 O ATOM 0 H GLU A 33 -1.785 -12.741 1.853 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.360 -10.040 1.018 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.290 -11.134 3.837 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.188 -9.754 3.237 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.681 -11.190 1.969 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.710 -12.604 2.333 1.00 10.00 H new ATOM 212 N ILE A 34 -0.130 -9.018 1.448 1.00 10.00 N ATOM 213 CA ILE A 34 1.100 -8.311 1.757 1.00 10.00 C ATOM 214 C ILE A 34 0.794 -7.025 2.512 1.00 10.00 C ATOM 215 O ILE A 34 -0.141 -6.304 2.167 1.00 10.00 O ATOM 216 CB ILE A 34 1.904 -7.960 0.484 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.758 -9.046 -0.596 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.370 -7.752 0.833 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.344 -10.389 -0.212 1.00 10.00 C ATOM 0 H ILE A 34 -0.597 -8.704 0.598 1.00 10.00 H new ATOM 0 HA ILE A 34 1.702 -8.978 2.373 1.00 10.00 H new ATOM 0 HB ILE A 34 1.498 -7.034 0.076 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.700 -9.176 -0.823 1.00 10.00 H new ATOM 0 HG13 ILE A 34 2.240 -8.700 -1.510 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.928 -7.505 -0.070 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.461 -6.936 1.550 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.773 -8.666 1.270 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.198 -11.096 -1.028 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.410 -10.278 -0.014 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.846 -10.761 0.683 1.00 10.00 H new ATOM 231 N HIS A 35 1.570 -6.747 3.544 1.00 10.00 N ATOM 232 CA HIS A 35 1.383 -5.545 4.337 1.00 10.00 C ATOM 233 C HIS A 35 2.549 -4.597 4.105 1.00 10.00 C ATOM 234 O HIS A 35 3.605 -4.726 4.732 1.00 10.00 O ATOM 235 CB HIS A 35 1.270 -5.882 5.830 1.00 10.00 C ATOM 236 CG HIS A 35 0.190 -6.873 6.154 1.00 10.00 C ATOM 237 ND1 HIS A 35 -1.007 -6.479 6.700 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.176 -8.218 5.984 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.716 -7.585 6.851 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.039 -8.665 6.430 1.00 10.00 N ATOM 0 H HIS A 35 2.339 -7.341 3.854 1.00 10.00 H new ATOM 0 HA HIS A 35 0.454 -5.066 4.027 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.226 -6.276 6.176 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.084 -4.963 6.386 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.972 -8.822 5.575 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -2.714 -7.616 7.262 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -1.366 -9.631 6.440 1.00 10.00 H new ATOM 248 N PHE A 36 2.370 -3.659 3.190 1.00 10.00 N ATOM 249 CA PHE A 36 3.422 -2.705 2.880 1.00 10.00 C ATOM 250 C PHE A 36 3.260 -1.443 3.715 1.00 10.00 C ATOM 251 O PHE A 36 2.222 -0.777 3.662 1.00 10.00 O ATOM 252 CB PHE A 36 3.419 -2.353 1.390 1.00 10.00 C ATOM 253 CG PHE A 36 4.799 -2.262 0.796 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.831 -1.655 1.495 1.00 10.00 C ATOM 255 CD2 PHE A 36 5.064 -2.786 -0.461 1.00 10.00 C ATOM 256 CE1 PHE A 36 7.101 -1.573 0.954 1.00 10.00 C ATOM 257 CE2 PHE A 36 6.332 -2.706 -1.009 1.00 10.00 C ATOM 258 CZ PHE A 36 7.351 -2.099 -0.300 1.00 10.00 C ATOM 0 H PHE A 36 1.512 -3.538 2.652 1.00 10.00 H new ATOM 0 HA PHE A 36 4.378 -3.168 3.123 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.847 -3.105 0.847 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.907 -1.401 1.250 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.641 -1.241 2.474 1.00 10.00 H new ATOM 0 HD2 PHE A 36 4.271 -3.262 -1.019 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.896 -1.099 1.510 1.00 10.00 H new ATOM 0 HE2 PHE A 36 6.525 -3.117 -1.989 1.00 10.00 H new ATOM 0 HZ PHE A 36 8.342 -2.036 -0.725 1.00 10.00 H new ATOM 268 N LYS A 37 4.283 -1.126 4.494 1.00 10.00 N ATOM 269 CA LYS A 37 4.266 0.057 5.341 1.00 10.00 C ATOM 270 C LYS A 37 4.813 1.252 4.570 1.00 10.00 C ATOM 271 O LYS A 37 6.013 1.340 4.319 1.00 10.00 O ATOM 272 CB LYS A 37 5.093 -0.189 6.605 1.00 10.00 C ATOM 273 CG LYS A 37 5.117 0.986 7.569 1.00 10.00 C ATOM 274 CD LYS A 37 4.639 0.580 8.955 1.00 10.00 C ATOM 275 CE LYS A 37 3.129 0.415 9.004 1.00 10.00 C ATOM 276 NZ LYS A 37 2.669 -0.060 10.334 1.00 10.00 N ATOM 0 H LYS A 37 5.140 -1.675 4.557 1.00 10.00 H new ATOM 0 HA LYS A 37 3.239 0.271 5.637 1.00 10.00 H new ATOM 0 HB2 LYS A 37 4.695 -1.062 7.123 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.116 -0.429 6.316 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.130 1.384 7.634 1.00 10.00 H new ATOM 0 HG3 LYS A 37 4.484 1.786 7.185 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.117 -0.356 9.245 1.00 10.00 H new ATOM 0 HD3 LYS A 37 4.946 1.333 9.681 1.00 10.00 H new ATOM 0 HE2 LYS A 37 2.652 1.367 8.773 1.00 10.00 H new ATOM 0 HE3 LYS A 37 2.816 -0.293 8.237 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 1.634 -0.160 10.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 3.105 -0.981 10.544 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 2.946 0.628 11.063 1.00 10.00 H new ATOM 290 N VAL A 38 3.928 2.165 4.194 1.00 10.00 N ATOM 291 CA VAL A 38 4.321 3.350 3.444 1.00 10.00 C ATOM 292 C VAL A 38 4.193 4.606 4.302 1.00 10.00 C ATOM 293 O VAL A 38 3.649 4.566 5.410 1.00 10.00 O ATOM 294 CB VAL A 38 3.469 3.515 2.160 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.399 2.207 1.386 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.065 4.010 2.488 1.00 10.00 C ATOM 0 H VAL A 38 2.930 2.107 4.397 1.00 10.00 H new ATOM 0 HA VAL A 38 5.364 3.216 3.157 1.00 10.00 H new ATOM 0 HB VAL A 38 3.956 4.264 1.535 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.796 2.347 0.489 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.405 1.898 1.102 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.946 1.438 2.011 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.492 4.116 1.567 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.570 3.293 3.143 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.128 4.976 2.989 1.00 10.00 H new ATOM 306 N LYS A 39 4.696 5.719 3.787 1.00 10.00 N ATOM 307 CA LYS A 39 4.627 6.990 4.490 1.00 10.00 C ATOM 308 C LYS A 39 3.902 8.010 3.618 1.00 10.00 C ATOM 309 O LYS A 39 4.092 8.039 2.398 1.00 10.00 O ATOM 310 CB LYS A 39 6.034 7.484 4.842 1.00 10.00 C ATOM 311 CG LYS A 39 6.049 8.703 5.754 1.00 10.00 C ATOM 312 CD LYS A 39 7.466 9.198 5.992 1.00 10.00 C ATOM 313 CE LYS A 39 7.478 10.567 6.654 1.00 10.00 C ATOM 314 NZ LYS A 39 8.819 11.209 6.581 1.00 10.00 N ATOM 0 H LYS A 39 5.159 5.766 2.879 1.00 10.00 H new ATOM 0 HA LYS A 39 4.074 6.858 5.420 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.583 6.675 5.324 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.565 7.725 3.921 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.453 9.500 5.309 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.584 8.452 6.708 1.00 10.00 H new ATOM 0 HD2 LYS A 39 8.000 8.485 6.620 1.00 10.00 H new ATOM 0 HD3 LYS A 39 7.999 9.248 5.042 1.00 10.00 H new ATOM 0 HE2 LYS A 39 6.741 11.210 6.172 1.00 10.00 H new ATOM 0 HE3 LYS A 39 7.180 10.468 7.698 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 8.760 12.179 6.952 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 9.497 10.662 7.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.138 11.235 5.591 1.00 10.00 H new ATOM 328 N MET A 40 3.070 8.835 4.236 1.00 10.00 N ATOM 329 CA MET A 40 2.308 9.842 3.503 1.00 10.00 C ATOM 330 C MET A 40 3.194 11.016 3.080 1.00 10.00 C ATOM 331 O MET A 40 3.140 12.092 3.676 1.00 10.00 O ATOM 332 CB MET A 40 1.131 10.342 4.349 1.00 10.00 C ATOM 333 CG MET A 40 0.181 11.265 3.602 1.00 10.00 C ATOM 334 SD MET A 40 -0.435 10.548 2.065 1.00 10.00 S ATOM 335 CE MET A 40 -1.524 9.269 2.696 1.00 10.00 C ATOM 0 H MET A 40 2.904 8.829 5.242 1.00 10.00 H new ATOM 0 HA MET A 40 1.920 9.373 2.599 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.571 9.483 4.718 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.521 10.867 5.221 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.663 11.508 4.247 1.00 10.00 H new ATOM 0 HG3 MET A 40 0.692 12.202 3.380 1.00 10.00 H new ATOM 0 HE1 MET A 40 -2.061 8.807 1.868 1.00 10.00 H new ATOM 0 HE2 MET A 40 -0.935 8.512 3.213 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.239 9.710 3.391 1.00 10.00 H new ATOM 345 N THR A 41 4.016 10.781 2.061 1.00 10.00 N ATOM 346 CA THR A 41 4.917 11.796 1.517 1.00 10.00 C ATOM 347 C THR A 41 5.904 11.166 0.532 1.00 10.00 C ATOM 348 O THR A 41 6.413 11.841 -0.363 1.00 10.00 O ATOM 349 CB THR A 41 5.695 12.562 2.621 1.00 10.00 C ATOM 350 OG1 THR A 41 6.389 13.683 2.054 1.00 10.00 O ATOM 351 CG2 THR A 41 6.685 11.662 3.335 1.00 10.00 C ATOM 0 H THR A 41 4.077 9.880 1.587 1.00 10.00 H new ATOM 0 HA THR A 41 4.290 12.521 0.997 1.00 10.00 H new ATOM 0 HB THR A 41 4.965 12.913 3.351 1.00 10.00 H new ATOM 0 HG1 THR A 41 6.874 14.159 2.760 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.210 12.234 4.100 1.00 10.00 H new ATOM 0 HG22 THR A 41 6.152 10.834 3.802 1.00 10.00 H new ATOM 0 HG23 THR A 41 7.405 11.271 2.616 1.00 10.00 H new ATOM 359 N THR A 42 6.157 9.871 0.696 1.00 10.00 N ATOM 360 CA THR A 42 7.074 9.148 -0.175 1.00 10.00 C ATOM 361 C THR A 42 6.427 8.855 -1.524 1.00 10.00 C ATOM 362 O THR A 42 5.207 8.694 -1.620 1.00 10.00 O ATOM 363 CB THR A 42 7.507 7.825 0.481 1.00 10.00 C ATOM 364 OG1 THR A 42 7.503 7.978 1.903 1.00 10.00 O ATOM 365 CG2 THR A 42 8.894 7.404 0.010 1.00 10.00 C ATOM 0 H THR A 42 5.737 9.299 1.429 1.00 10.00 H new ATOM 0 HA THR A 42 7.950 9.778 -0.333 1.00 10.00 H new ATOM 0 HB THR A 42 6.802 7.047 0.189 1.00 10.00 H new ATOM 0 HG1 THR A 42 7.792 8.885 2.135 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.172 6.466 0.491 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.886 7.269 -1.072 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.617 8.175 0.274 1.00 10.00 H new ATOM 373 N HIS A 43 7.245 8.795 -2.566 1.00 10.00 N ATOM 374 CA HIS A 43 6.750 8.518 -3.905 1.00 10.00 C ATOM 375 C HIS A 43 6.481 7.027 -4.063 1.00 10.00 C ATOM 376 O HIS A 43 7.274 6.195 -3.617 1.00 10.00 O ATOM 377 CB HIS A 43 7.756 8.988 -4.959 1.00 10.00 C ATOM 378 CG HIS A 43 8.099 10.444 -4.857 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.372 10.898 -5.098 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.310 11.497 -4.532 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.331 12.207 -4.913 1.00 10.00 C ATOM 382 NE2 HIS A 43 8.103 12.614 -4.568 1.00 10.00 N ATOM 0 H HIS A 43 8.254 8.935 -2.509 1.00 10.00 H new ATOM 0 HA HIS A 43 5.818 9.064 -4.051 1.00 10.00 H new ATOM 0 HB2 HIS A 43 8.669 8.401 -4.864 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.350 8.788 -5.951 1.00 10.00 H new ATOM 0 HD2 HIS A 43 6.258 11.462 -4.291 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.180 12.864 -5.026 1.00 10.00 H new ATOM 0 HE2 HIS A 43 7.813 13.572 -4.370 1.00 10.00 H new ATOM 390 N LEU A 44 5.368 6.689 -4.710 1.00 10.00 N ATOM 391 CA LEU A 44 4.994 5.294 -4.915 1.00 10.00 C ATOM 392 C LEU A 44 5.985 4.579 -5.827 1.00 10.00 C ATOM 393 O LEU A 44 6.015 3.350 -5.875 1.00 10.00 O ATOM 394 CB LEU A 44 3.579 5.195 -5.483 1.00 10.00 C ATOM 395 CG LEU A 44 2.464 5.551 -4.493 1.00 10.00 C ATOM 396 CD1 LEU A 44 1.115 5.548 -5.188 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.456 4.578 -3.324 1.00 10.00 C ATOM 0 H LEU A 44 4.710 7.363 -5.101 1.00 10.00 H new ATOM 0 HA LEU A 44 5.017 4.799 -3.944 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.502 5.854 -6.348 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.417 4.179 -5.842 1.00 10.00 H new ATOM 0 HG LEU A 44 2.655 6.553 -4.109 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.335 5.803 -4.470 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.120 6.281 -5.994 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.920 4.558 -5.599 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.658 4.847 -2.632 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.290 3.566 -3.694 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.415 4.622 -2.807 1.00 10.00 H new ATOM 409 N LYS A 45 6.797 5.348 -6.542 1.00 10.00 N ATOM 410 CA LYS A 45 7.805 4.787 -7.430 1.00 10.00 C ATOM 411 C LYS A 45 8.784 3.930 -6.630 1.00 10.00 C ATOM 412 O LYS A 45 9.137 2.822 -7.037 1.00 10.00 O ATOM 413 CB LYS A 45 8.545 5.912 -8.160 1.00 10.00 C ATOM 414 CG LYS A 45 9.674 5.429 -9.052 1.00 10.00 C ATOM 415 CD LYS A 45 9.984 6.436 -10.150 1.00 10.00 C ATOM 416 CE LYS A 45 11.030 5.912 -11.121 1.00 10.00 C ATOM 417 NZ LYS A 45 10.775 4.500 -11.510 1.00 10.00 N ATOM 0 H LYS A 45 6.776 6.368 -6.523 1.00 10.00 H new ATOM 0 HA LYS A 45 7.317 4.156 -8.173 1.00 10.00 H new ATOM 0 HB2 LYS A 45 7.831 6.470 -8.765 1.00 10.00 H new ATOM 0 HB3 LYS A 45 8.949 6.606 -7.423 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.567 5.258 -8.451 1.00 10.00 H new ATOM 0 HG3 LYS A 45 9.403 4.473 -9.499 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.070 6.673 -10.694 1.00 10.00 H new ATOM 0 HD3 LYS A 45 10.338 7.365 -9.702 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.041 6.537 -12.014 1.00 10.00 H new ATOM 0 HE3 LYS A 45 12.017 5.989 -10.666 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.356 4.258 -12.338 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 11.021 3.872 -10.718 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.769 4.381 -11.746 1.00 10.00 H new ATOM 431 N LYS A 46 9.183 4.443 -5.468 1.00 10.00 N ATOM 432 CA LYS A 46 10.107 3.739 -4.585 1.00 10.00 C ATOM 433 C LYS A 46 9.454 2.462 -4.054 1.00 10.00 C ATOM 434 O LYS A 46 10.124 1.458 -3.805 1.00 10.00 O ATOM 435 CB LYS A 46 10.518 4.659 -3.421 1.00 10.00 C ATOM 436 CG LYS A 46 11.387 3.984 -2.364 1.00 10.00 C ATOM 437 CD LYS A 46 12.868 4.069 -2.699 1.00 10.00 C ATOM 438 CE LYS A 46 13.436 5.444 -2.383 1.00 10.00 C ATOM 439 NZ LYS A 46 13.666 5.640 -0.924 1.00 10.00 N ATOM 0 H LYS A 46 8.878 5.350 -5.115 1.00 10.00 H new ATOM 0 HA LYS A 46 11.000 3.463 -5.146 1.00 10.00 H new ATOM 0 HB2 LYS A 46 11.057 5.517 -3.824 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.618 5.044 -2.942 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.208 4.452 -1.396 1.00 10.00 H new ATOM 0 HG3 LYS A 46 11.097 2.938 -2.271 1.00 10.00 H new ATOM 0 HD2 LYS A 46 13.413 3.311 -2.136 1.00 10.00 H new ATOM 0 HD3 LYS A 46 13.016 3.848 -3.756 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.376 5.578 -2.918 1.00 10.00 H new ATOM 0 HE3 LYS A 46 12.751 6.210 -2.747 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 13.504 6.637 -0.678 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 13.010 5.040 -0.385 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 14.645 5.380 -0.689 1.00 10.00 H new ATOM 453 N LEU A 47 8.135 2.509 -3.909 1.00 10.00 N ATOM 454 CA LEU A 47 7.369 1.374 -3.405 1.00 10.00 C ATOM 455 C LEU A 47 7.243 0.284 -4.463 1.00 10.00 C ATOM 456 O LEU A 47 7.511 -0.888 -4.195 1.00 10.00 O ATOM 457 CB LEU A 47 5.966 1.828 -2.974 1.00 10.00 C ATOM 458 CG LEU A 47 5.847 2.414 -1.561 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.302 1.408 -0.522 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.636 3.712 -1.432 1.00 10.00 C ATOM 0 H LEU A 47 7.570 3.327 -4.135 1.00 10.00 H new ATOM 0 HA LEU A 47 7.902 0.968 -2.545 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.614 2.575 -3.685 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.292 0.975 -3.049 1.00 10.00 H new ATOM 0 HG LEU A 47 4.796 2.642 -1.384 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.209 1.845 0.472 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.682 0.514 -0.585 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.343 1.141 -0.705 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.532 4.102 -0.420 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.689 3.520 -1.640 1.00 10.00 H new ATOM 0 HD23 LEU A 47 6.253 4.443 -2.144 1.00 10.00 H new ATOM 472 N LYS A 48 6.848 0.685 -5.666 1.00 10.00 N ATOM 473 CA LYS A 48 6.662 -0.243 -6.779 1.00 10.00 C ATOM 474 C LYS A 48 7.932 -1.037 -7.065 1.00 10.00 C ATOM 475 O LYS A 48 7.890 -2.260 -7.219 1.00 10.00 O ATOM 476 CB LYS A 48 6.236 0.517 -8.036 1.00 10.00 C ATOM 477 CG LYS A 48 4.890 1.215 -7.908 1.00 10.00 C ATOM 478 CD LYS A 48 4.570 2.044 -9.143 1.00 10.00 C ATOM 479 CE LYS A 48 4.373 1.169 -10.370 1.00 10.00 C ATOM 480 NZ LYS A 48 4.072 1.970 -11.586 1.00 10.00 N ATOM 0 H LYS A 48 6.648 1.658 -5.898 1.00 10.00 H new ATOM 0 HA LYS A 48 5.879 -0.946 -6.494 1.00 10.00 H new ATOM 0 HB2 LYS A 48 6.998 1.259 -8.276 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.195 -0.180 -8.873 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.107 0.472 -7.755 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.895 1.859 -7.028 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.668 2.630 -8.965 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.379 2.752 -9.326 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.272 0.576 -10.540 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.559 0.468 -10.188 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.062 1.347 -12.419 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.142 2.423 -11.482 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.801 2.701 -11.709 1.00 10.00 H new ATOM 494 N GLU A 49 9.057 -0.339 -7.123 1.00 10.00 N ATOM 495 CA GLU A 49 10.339 -0.974 -7.399 1.00 10.00 C ATOM 496 C GLU A 49 10.736 -1.931 -6.278 1.00 10.00 C ATOM 497 O GLU A 49 11.236 -3.025 -6.536 1.00 10.00 O ATOM 498 CB GLU A 49 11.416 0.089 -7.602 1.00 10.00 C ATOM 499 CG GLU A 49 11.220 0.908 -8.868 1.00 10.00 C ATOM 500 CD GLU A 49 12.270 1.983 -9.040 1.00 10.00 C ATOM 501 OE1 GLU A 49 13.392 1.812 -8.521 1.00 10.00 O ATOM 502 OE2 GLU A 49 11.983 3.000 -9.702 1.00 10.00 O ATOM 0 H GLU A 49 9.109 0.670 -6.982 1.00 10.00 H new ATOM 0 HA GLU A 49 10.240 -1.558 -8.314 1.00 10.00 H new ATOM 0 HB2 GLU A 49 11.423 0.758 -6.742 1.00 10.00 H new ATOM 0 HB3 GLU A 49 12.392 -0.395 -7.638 1.00 10.00 H new ATOM 0 HG2 GLU A 49 11.242 0.244 -9.732 1.00 10.00 H new ATOM 0 HG3 GLU A 49 10.233 1.371 -8.847 1.00 10.00 H new ATOM 509 N SER A 50 10.489 -1.525 -5.038 1.00 10.00 N ATOM 510 CA SER A 50 10.829 -2.351 -3.886 1.00 10.00 C ATOM 511 C SER A 50 9.969 -3.612 -3.834 1.00 10.00 C ATOM 512 O SER A 50 10.437 -4.674 -3.422 1.00 10.00 O ATOM 513 CB SER A 50 10.677 -1.547 -2.598 1.00 10.00 C ATOM 514 OG SER A 50 11.558 -0.435 -2.594 1.00 10.00 O ATOM 0 H SER A 50 10.056 -0.631 -4.805 1.00 10.00 H new ATOM 0 HA SER A 50 11.869 -2.662 -3.988 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.648 -1.202 -2.498 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.884 -2.185 -1.739 1.00 10.00 H new ATOM 0 HG SER A 50 11.223 0.250 -3.210 1.00 10.00 H new ATOM 520 N TYR A 51 8.714 -3.499 -4.258 1.00 10.00 N ATOM 521 CA TYR A 51 7.811 -4.643 -4.259 1.00 10.00 C ATOM 522 C TYR A 51 8.333 -5.714 -5.209 1.00 10.00 C ATOM 523 O TYR A 51 8.294 -6.908 -4.903 1.00 10.00 O ATOM 524 CB TYR A 51 6.399 -4.221 -4.669 1.00 10.00 C ATOM 525 CG TYR A 51 5.355 -5.287 -4.421 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.764 -5.425 -3.174 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.966 -6.156 -5.433 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.814 -6.401 -2.940 1.00 10.00 C ATOM 529 CE2 TYR A 51 4.018 -7.133 -5.208 1.00 10.00 C ATOM 530 CZ TYR A 51 3.445 -7.251 -3.959 1.00 10.00 C ATOM 531 OH TYR A 51 2.501 -8.222 -3.729 1.00 10.00 O ATOM 0 H TYR A 51 8.302 -2.632 -4.603 1.00 10.00 H new ATOM 0 HA TYR A 51 7.767 -5.049 -3.248 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.124 -3.320 -4.121 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.399 -3.963 -5.728 1.00 10.00 H new ATOM 0 HD1 TYR A 51 5.051 -4.759 -2.373 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.413 -6.065 -6.412 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.363 -6.497 -1.963 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.727 -7.801 -6.005 1.00 10.00 H new ATOM 0 HH TYR A 51 2.837 -9.086 -4.047 1.00 10.00 H new ATOM 541 N CYS A 52 8.832 -5.273 -6.357 1.00 10.00 N ATOM 542 CA CYS A 52 9.382 -6.184 -7.348 1.00 10.00 C ATOM 543 C CYS A 52 10.591 -6.911 -6.766 1.00 10.00 C ATOM 544 O CYS A 52 10.742 -8.122 -6.929 1.00 10.00 O ATOM 545 CB CYS A 52 9.777 -5.423 -8.615 1.00 10.00 C ATOM 546 SG CYS A 52 8.464 -4.382 -9.295 1.00 10.00 S ATOM 0 H CYS A 52 8.866 -4.289 -6.623 1.00 10.00 H new ATOM 0 HA CYS A 52 8.621 -6.917 -7.614 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.643 -4.799 -8.395 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.086 -6.141 -9.375 1.00 10.00 H new ATOM 0 HG CYS A 52 8.227 -3.396 -8.481 1.00 10.00 H new ATOM 552 N GLN A 53 11.426 -6.161 -6.052 1.00 10.00 N ATOM 553 CA GLN A 53 12.620 -6.712 -5.422 1.00 10.00 C ATOM 554 C GLN A 53 12.241 -7.724 -4.342 1.00 10.00 C ATOM 555 O GLN A 53 12.972 -8.678 -4.085 1.00 10.00 O ATOM 556 CB GLN A 53 13.455 -5.586 -4.809 1.00 10.00 C ATOM 557 CG GLN A 53 14.156 -4.709 -5.835 1.00 10.00 C ATOM 558 CD GLN A 53 14.668 -3.413 -5.237 1.00 10.00 C ATOM 559 OE1 GLN A 53 14.057 -2.847 -4.332 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.796 -2.936 -5.736 1.00 10.00 N ATOM 0 H GLN A 53 11.295 -5.162 -5.895 1.00 10.00 H new ATOM 0 HA GLN A 53 13.209 -7.222 -6.185 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.808 -4.961 -4.193 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.203 -6.021 -4.146 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.990 -5.260 -6.270 1.00 10.00 H new ATOM 0 HG3 GLN A 53 13.466 -4.483 -6.648 1.00 10.00 H new ATOM 0 HE21 GLN A 53 16.273 -3.435 -6.487 1.00 10.00 H new ATOM 0 HE22 GLN A 53 16.189 -2.069 -5.370 1.00 10.00 H new ATOM 569 N ARG A 54 11.089 -7.508 -3.722 1.00 10.00 N ATOM 570 CA ARG A 54 10.605 -8.394 -2.673 1.00 10.00 C ATOM 571 C ARG A 54 10.130 -9.722 -3.254 1.00 10.00 C ATOM 572 O ARG A 54 10.454 -10.789 -2.734 1.00 10.00 O ATOM 573 CB ARG A 54 9.460 -7.730 -1.901 1.00 10.00 C ATOM 574 CG ARG A 54 8.877 -8.606 -0.802 1.00 10.00 C ATOM 575 CD ARG A 54 9.884 -8.847 0.309 1.00 10.00 C ATOM 576 NE ARG A 54 9.258 -9.367 1.521 1.00 10.00 N ATOM 577 CZ ARG A 54 9.939 -9.740 2.603 1.00 10.00 C ATOM 578 NH1 ARG A 54 11.266 -9.704 2.597 1.00 10.00 N ATOM 579 NH2 ARG A 54 9.293 -10.163 3.678 1.00 10.00 N ATOM 0 H ARG A 54 10.470 -6.724 -3.929 1.00 10.00 H new ATOM 0 HA ARG A 54 11.433 -8.589 -1.992 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.821 -6.801 -1.460 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.668 -7.464 -2.601 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.986 -8.131 -0.391 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.563 -9.561 -1.224 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.641 -9.551 -0.037 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.397 -7.914 0.540 1.00 10.00 H new ATOM 0 HE ARG A 54 8.242 -9.449 1.540 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.764 -9.391 1.764 1.00 10.00 H new ATOM 0 HH12 ARG A 54 11.788 -9.990 3.426 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.274 -10.203 3.678 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.814 -10.449 4.507 1.00 10.00 H new ATOM 593 N GLN A 55 9.368 -9.653 -4.340 1.00 10.00 N ATOM 594 CA GLN A 55 8.844 -10.857 -4.975 1.00 10.00 C ATOM 595 C GLN A 55 9.928 -11.566 -5.782 1.00 10.00 C ATOM 596 O GLN A 55 9.767 -12.722 -6.171 1.00 10.00 O ATOM 597 CB GLN A 55 7.651 -10.515 -5.869 1.00 10.00 C ATOM 598 CG GLN A 55 6.469 -9.916 -5.118 1.00 10.00 C ATOM 599 CD GLN A 55 5.974 -10.800 -3.988 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.401 -10.660 -2.845 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.069 -11.716 -4.300 1.00 10.00 N ATOM 0 H GLN A 55 9.100 -8.781 -4.797 1.00 10.00 H new ATOM 0 HA GLN A 55 8.508 -11.534 -4.190 1.00 10.00 H new ATOM 0 HB2 GLN A 55 7.975 -9.813 -6.637 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.323 -11.419 -6.382 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.757 -8.946 -4.713 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.652 -9.740 -5.818 1.00 10.00 H new ATOM 0 HE21 GLN A 55 4.740 -11.801 -5.262 1.00 10.00 H new ATOM 0 HE22 GLN A 55 4.702 -12.337 -3.579 1.00 10.00 H new ATOM 610 N GLY A 56 11.031 -10.872 -6.024 1.00 10.00 N ATOM 611 CA GLY A 56 12.125 -11.453 -6.777 1.00 10.00 C ATOM 612 C GLY A 56 11.894 -11.378 -8.269 1.00 10.00 C ATOM 613 O GLY A 56 12.247 -12.298 -9.012 1.00 10.00 O ATOM 0 H GLY A 56 11.188 -9.914 -5.711 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.051 -10.935 -6.528 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.254 -12.495 -6.483 1.00 10.00 H new ATOM 617 N VAL A 57 11.301 -10.280 -8.708 1.00 10.00 N ATOM 618 CA VAL A 57 11.005 -10.071 -10.116 1.00 10.00 C ATOM 619 C VAL A 57 11.495 -8.700 -10.568 1.00 10.00 C ATOM 620 O VAL A 57 11.650 -7.789 -9.750 1.00 10.00 O ATOM 621 CB VAL A 57 9.490 -10.192 -10.404 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.038 -11.641 -10.318 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.689 -9.322 -9.445 1.00 10.00 C ATOM 0 H VAL A 57 11.012 -9.512 -8.102 1.00 10.00 H new ATOM 0 HA VAL A 57 11.527 -10.849 -10.674 1.00 10.00 H new ATOM 0 HB VAL A 57 9.309 -9.839 -11.419 1.00 10.00 H new ATOM 0 HG11 VAL A 57 7.969 -11.702 -10.524 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.583 -12.236 -11.050 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.237 -12.025 -9.318 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.626 -9.422 -9.665 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.879 -9.640 -8.420 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.988 -8.280 -9.563 1.00 10.00 H new ATOM 633 N PRO A 58 11.767 -8.536 -11.870 1.00 10.00 N ATOM 634 CA PRO A 58 12.231 -7.258 -12.415 1.00 10.00 C ATOM 635 C PRO A 58 11.160 -6.174 -12.317 1.00 10.00 C ATOM 636 O PRO A 58 9.985 -6.466 -12.105 1.00 10.00 O ATOM 637 CB PRO A 58 12.534 -7.582 -13.881 1.00 10.00 C ATOM 638 CG PRO A 58 11.727 -8.796 -14.187 1.00 10.00 C ATOM 639 CD PRO A 58 11.655 -9.577 -12.908 1.00 10.00 C ATOM 0 HA PRO A 58 13.090 -6.866 -11.870 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.260 -6.752 -14.533 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.597 -7.768 -14.032 1.00 10.00 H new ATOM 0 HG2 PRO A 58 10.730 -8.525 -14.535 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.192 -9.384 -14.978 1.00 10.00 H new ATOM 0 HD2 PRO A 58 10.719 -10.129 -12.825 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.462 -10.306 -12.836 1.00 10.00 H new ATOM 647 N MET A 59 11.565 -4.926 -12.469 1.00 10.00 N ATOM 648 CA MET A 59 10.631 -3.813 -12.404 1.00 10.00 C ATOM 649 C MET A 59 9.730 -3.812 -13.638 1.00 10.00 C ATOM 650 O MET A 59 10.129 -4.303 -14.692 1.00 10.00 O ATOM 651 CB MET A 59 11.406 -2.491 -12.291 1.00 10.00 C ATOM 652 CG MET A 59 10.533 -1.242 -12.306 1.00 10.00 C ATOM 653 SD MET A 59 9.221 -1.291 -11.069 1.00 10.00 S ATOM 654 CE MET A 59 8.436 0.296 -11.348 1.00 10.00 C ATOM 0 H MET A 59 12.534 -4.656 -12.638 1.00 10.00 H new ATOM 0 HA MET A 59 10.000 -3.921 -11.522 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.986 -2.502 -11.368 1.00 10.00 H new ATOM 0 HB3 MET A 59 12.118 -2.431 -13.114 1.00 10.00 H new ATOM 0 HG2 MET A 59 11.157 -0.366 -12.132 1.00 10.00 H new ATOM 0 HG3 MET A 59 10.090 -1.126 -13.295 1.00 10.00 H new ATOM 0 HE1 MET A 59 7.602 0.416 -10.657 1.00 10.00 H new ATOM 0 HE2 MET A 59 9.160 1.094 -11.184 1.00 10.00 H new ATOM 0 HE3 MET A 59 8.068 0.345 -12.373 1.00 10.00 H new ATOM 664 N ASN A 60 8.507 -3.302 -13.478 1.00 10.00 N ATOM 665 CA ASN A 60 7.526 -3.208 -14.571 1.00 10.00 C ATOM 666 C ASN A 60 6.929 -4.571 -14.930 1.00 10.00 C ATOM 667 O ASN A 60 6.165 -4.691 -15.885 1.00 10.00 O ATOM 668 CB ASN A 60 8.157 -2.559 -15.814 1.00 10.00 C ATOM 669 CG ASN A 60 7.142 -1.857 -16.698 1.00 10.00 C ATOM 670 OD1 ASN A 60 6.795 -0.697 -16.462 1.00 10.00 O ATOM 671 ND2 ASN A 60 6.668 -2.545 -17.725 1.00 10.00 N ATOM 0 H ASN A 60 8.165 -2.941 -12.588 1.00 10.00 H new ATOM 0 HA ASN A 60 6.712 -2.577 -14.215 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.913 -1.840 -15.497 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.669 -3.325 -16.396 1.00 10.00 H new ATOM 0 HD21 ASN A 60 5.990 -2.118 -18.356 1.00 10.00 H new ATOM 0 HD22 ASN A 60 6.981 -3.503 -17.885 1.00 10.00 H new ATOM 678 N SER A 61 7.260 -5.600 -14.162 1.00 10.00 N ATOM 679 CA SER A 61 6.732 -6.931 -14.432 1.00 10.00 C ATOM 680 C SER A 61 5.351 -7.091 -13.805 1.00 10.00 C ATOM 681 O SER A 61 4.545 -7.921 -14.238 1.00 10.00 O ATOM 682 CB SER A 61 7.680 -8.005 -13.897 1.00 10.00 C ATOM 683 OG SER A 61 7.852 -7.878 -12.496 1.00 10.00 O ATOM 0 H SER A 61 7.884 -5.541 -13.357 1.00 10.00 H new ATOM 0 HA SER A 61 6.644 -7.052 -15.512 1.00 10.00 H new ATOM 0 HB2 SER A 61 7.284 -8.993 -14.130 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.646 -7.923 -14.395 1.00 10.00 H new ATOM 0 HG SER A 61 8.473 -7.144 -12.308 1.00 10.00 H new ATOM 689 N LEU A 62 5.084 -6.285 -12.787 1.00 10.00 N ATOM 690 CA LEU A 62 3.813 -6.325 -12.086 1.00 10.00 C ATOM 691 C LEU A 62 3.124 -4.969 -12.157 1.00 10.00 C ATOM 692 O LEU A 62 3.782 -3.928 -12.179 1.00 10.00 O ATOM 693 CB LEU A 62 4.025 -6.715 -10.619 1.00 10.00 C ATOM 694 CG LEU A 62 4.808 -8.010 -10.384 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.133 -8.170 -8.908 1.00 10.00 C ATOM 696 CD2 LEU A 62 4.023 -9.212 -10.888 1.00 10.00 C ATOM 0 H LEU A 62 5.739 -5.590 -12.427 1.00 10.00 H new ATOM 0 HA LEU A 62 3.182 -7.072 -12.567 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.547 -5.900 -10.117 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.049 -6.810 -10.143 1.00 10.00 H new ATOM 0 HG LEU A 62 5.742 -7.953 -10.943 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.690 -9.095 -8.756 1.00 10.00 H new ATOM 0 HD12 LEU A 62 5.735 -7.325 -8.574 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.207 -8.205 -8.333 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.597 -10.122 -10.711 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.073 -9.274 -10.358 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.836 -9.103 -11.956 1.00 10.00 H new ATOM 708 N ARG A 63 1.804 -4.986 -12.196 1.00 10.00 N ATOM 709 CA ARG A 63 1.027 -3.760 -12.253 1.00 10.00 C ATOM 710 C ARG A 63 0.164 -3.633 -11.005 1.00 10.00 C ATOM 711 O ARG A 63 -0.475 -4.599 -10.577 1.00 10.00 O ATOM 712 CB ARG A 63 0.155 -3.721 -13.513 1.00 10.00 C ATOM 713 CG ARG A 63 -0.807 -4.891 -13.637 1.00 10.00 C ATOM 714 CD ARG A 63 -1.670 -4.773 -14.883 1.00 10.00 C ATOM 715 NE ARG A 63 -2.606 -5.892 -15.008 1.00 10.00 N ATOM 716 CZ ARG A 63 -2.529 -6.830 -15.953 1.00 10.00 C ATOM 717 NH1 ARG A 63 -1.585 -6.775 -16.889 1.00 10.00 N ATOM 718 NH2 ARG A 63 -3.411 -7.822 -15.969 1.00 10.00 N ATOM 0 H ARG A 63 1.245 -5.839 -12.189 1.00 10.00 H new ATOM 0 HA ARG A 63 1.716 -2.917 -12.295 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.416 -2.793 -13.518 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.802 -3.702 -14.390 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.244 -5.824 -13.670 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.445 -4.934 -12.754 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.226 -3.836 -14.852 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.031 -4.734 -15.765 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.365 -5.958 -14.330 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -0.911 -6.010 -16.889 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -1.536 -7.498 -17.607 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.144 -7.865 -15.261 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -3.356 -8.542 -16.690 1.00 10.00 H new ATOM 732 N PHE A 64 0.164 -2.447 -10.418 1.00 10.00 N ATOM 733 CA PHE A 64 -0.613 -2.188 -9.215 1.00 10.00 C ATOM 734 C PHE A 64 -1.949 -1.561 -9.581 1.00 10.00 C ATOM 735 O PHE A 64 -1.995 -0.569 -10.308 1.00 10.00 O ATOM 736 CB PHE A 64 0.156 -1.263 -8.269 1.00 10.00 C ATOM 737 CG PHE A 64 1.364 -1.906 -7.656 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.577 -1.916 -8.327 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.286 -2.502 -6.408 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.687 -2.507 -7.764 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.395 -3.094 -5.840 1.00 10.00 C ATOM 742 CZ PHE A 64 3.596 -3.096 -6.520 1.00 10.00 C ATOM 0 H PHE A 64 0.696 -1.645 -10.756 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.791 -3.136 -8.707 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.466 -0.373 -8.816 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.512 -0.932 -7.474 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.653 -1.456 -9.301 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.347 -2.503 -5.874 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.627 -2.509 -8.296 1.00 10.00 H new ATOM 0 HE2 PHE A 64 2.324 -3.555 -4.866 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.466 -3.559 -6.078 1.00 10.00 H new ATOM 752 N LEU A 65 -3.025 -2.138 -9.074 1.00 10.00 N ATOM 753 CA LEU A 65 -4.361 -1.647 -9.360 1.00 10.00 C ATOM 754 C LEU A 65 -5.012 -1.055 -8.118 1.00 10.00 C ATOM 755 O LEU A 65 -5.088 -1.698 -7.067 1.00 10.00 O ATOM 756 CB LEU A 65 -5.234 -2.771 -9.924 1.00 10.00 C ATOM 757 CG LEU A 65 -4.746 -3.379 -11.241 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.677 -4.491 -11.694 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.636 -2.308 -12.314 1.00 10.00 C ATOM 0 H LEU A 65 -2.998 -2.951 -8.459 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.271 -0.857 -10.105 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.302 -3.564 -9.180 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.243 -2.386 -10.072 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.756 -3.805 -11.076 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.313 -4.911 -12.632 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.707 -5.272 -10.934 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.679 -4.089 -11.841 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.288 -2.759 -13.243 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.613 -1.853 -12.475 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -3.928 -1.544 -11.994 1.00 10.00 H new ATOM 771 N PHE A 66 -5.462 0.179 -8.249 1.00 10.00 N ATOM 772 CA PHE A 66 -6.129 0.884 -7.171 1.00 10.00 C ATOM 773 C PHE A 66 -7.327 1.625 -7.746 1.00 10.00 C ATOM 774 O PHE A 66 -7.164 2.470 -8.628 1.00 10.00 O ATOM 775 CB PHE A 66 -5.170 1.866 -6.492 1.00 10.00 C ATOM 776 CG PHE A 66 -5.676 2.411 -5.186 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.653 1.632 -4.040 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.170 3.706 -5.104 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.111 2.133 -2.836 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.629 4.210 -3.902 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.600 3.423 -2.767 1.00 10.00 C ATOM 0 H PHE A 66 -5.375 0.722 -9.108 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.461 0.170 -6.417 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.216 1.367 -6.320 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -4.977 2.697 -7.170 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.273 0.622 -4.088 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.196 4.325 -5.988 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -6.087 1.516 -1.950 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -7.010 5.219 -3.850 1.00 10.00 H new ATOM 0 HZ PHE A 66 -6.959 3.816 -1.827 1.00 10.00 H new ATOM 791 N GLU A 67 -8.526 1.277 -7.279 1.00 10.00 N ATOM 792 CA GLU A 67 -9.764 1.899 -7.763 1.00 10.00 C ATOM 793 C GLU A 67 -10.005 1.541 -9.229 1.00 10.00 C ATOM 794 O GLU A 67 -10.764 2.209 -9.933 1.00 10.00 O ATOM 795 CB GLU A 67 -9.714 3.420 -7.595 1.00 10.00 C ATOM 796 CG GLU A 67 -9.911 3.877 -6.162 1.00 10.00 C ATOM 797 CD GLU A 67 -11.368 3.891 -5.759 1.00 10.00 C ATOM 798 OE1 GLU A 67 -11.878 2.846 -5.303 1.00 10.00 O ATOM 799 OE2 GLU A 67 -12.010 4.953 -5.899 1.00 10.00 O ATOM 0 H GLU A 67 -8.669 0.565 -6.563 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.590 1.513 -7.165 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -8.753 3.786 -7.956 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.483 3.872 -8.221 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -9.358 3.217 -5.493 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -9.493 4.877 -6.041 1.00 10.00 H new ATOM 806 N GLY A 68 -9.356 0.473 -9.680 1.00 10.00 N ATOM 807 CA GLY A 68 -9.496 0.041 -11.056 1.00 10.00 C ATOM 808 C GLY A 68 -8.480 0.699 -11.970 1.00 10.00 C ATOM 809 O GLY A 68 -8.402 0.385 -13.159 1.00 10.00 O ATOM 0 H GLY A 68 -8.733 -0.103 -9.113 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.382 -1.042 -11.108 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.502 0.273 -11.407 1.00 10.00 H new ATOM 813 N GLN A 69 -7.707 1.618 -11.413 1.00 10.00 N ATOM 814 CA GLN A 69 -6.692 2.330 -12.170 1.00 10.00 C ATOM 815 C GLN A 69 -5.308 1.811 -11.810 1.00 10.00 C ATOM 816 O GLN A 69 -5.060 1.431 -10.666 1.00 10.00 O ATOM 817 CB GLN A 69 -6.781 3.831 -11.886 1.00 10.00 C ATOM 818 CG GLN A 69 -8.098 4.455 -12.320 1.00 10.00 C ATOM 819 CD GLN A 69 -8.181 5.931 -11.995 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.619 6.398 -11.003 1.00 10.00 O ATOM 821 NE2 GLN A 69 -8.881 6.679 -12.830 1.00 10.00 N ATOM 0 H GLN A 69 -7.765 1.889 -10.431 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.864 2.161 -13.233 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.643 3.999 -10.818 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.962 4.338 -12.397 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.225 4.316 -13.394 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.921 3.933 -11.832 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.331 6.254 -13.640 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -8.971 7.681 -12.664 1.00 10.00 H new ATOM 830 N ARG A 70 -4.412 1.782 -12.783 1.00 10.00 N ATOM 831 CA ARG A 70 -3.059 1.310 -12.538 1.00 10.00 C ATOM 832 C ARG A 70 -2.196 2.443 -11.999 1.00 10.00 C ATOM 833 O ARG A 70 -2.117 3.522 -12.593 1.00 10.00 O ATOM 834 CB ARG A 70 -2.438 0.698 -13.801 1.00 10.00 C ATOM 835 CG ARG A 70 -2.573 1.553 -15.049 1.00 10.00 C ATOM 836 CD ARG A 70 -2.015 0.836 -16.270 1.00 10.00 C ATOM 837 NE ARG A 70 -0.579 0.563 -16.143 1.00 10.00 N ATOM 838 CZ ARG A 70 0.004 -0.574 -16.533 1.00 10.00 C ATOM 839 NH1 ARG A 70 -0.711 -1.558 -17.062 1.00 10.00 N ATOM 840 NH2 ARG A 70 1.311 -0.733 -16.395 1.00 10.00 N ATOM 0 H ARG A 70 -4.595 2.077 -13.742 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.107 0.521 -11.787 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.380 0.512 -13.616 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -2.904 -0.270 -13.987 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.623 1.796 -15.215 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -2.046 2.496 -14.906 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.550 -0.102 -16.415 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.191 1.443 -17.158 1.00 10.00 H new ATOM 0 HE ARG A 70 0.011 1.286 -15.731 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -1.719 -1.452 -17.175 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -0.253 -2.421 -17.355 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.876 0.014 -15.990 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.753 -1.602 -16.694 1.00 10.00 H new ATOM 854 N ILE A 71 -1.575 2.188 -10.855 1.00 10.00 N ATOM 855 CA ILE A 71 -0.717 3.162 -10.194 1.00 10.00 C ATOM 856 C ILE A 71 0.506 3.497 -11.042 1.00 10.00 C ATOM 857 O ILE A 71 1.280 2.612 -11.421 1.00 10.00 O ATOM 858 CB ILE A 71 -0.253 2.642 -8.813 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.454 2.447 -7.880 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.762 3.590 -8.189 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.201 3.728 -7.566 1.00 10.00 C ATOM 0 H ILE A 71 -1.652 1.300 -10.359 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.308 4.068 -10.059 1.00 10.00 H new ATOM 0 HB ILE A 71 0.231 1.676 -8.959 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -2.145 1.738 -8.336 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -1.109 2.001 -6.947 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.073 3.203 -7.219 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.631 3.674 -8.842 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.310 4.573 -8.059 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -3.036 3.508 -6.901 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.526 4.433 -7.080 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.578 4.165 -8.490 1.00 10.00 H new ATOM 873 N ALA A 72 0.675 4.777 -11.331 1.00 10.00 N ATOM 874 CA ALA A 72 1.803 5.236 -12.120 1.00 10.00 C ATOM 875 C ALA A 72 3.003 5.502 -11.218 1.00 10.00 C ATOM 876 O ALA A 72 2.869 5.570 -9.996 1.00 10.00 O ATOM 877 CB ALA A 72 1.427 6.479 -12.913 1.00 10.00 C ATOM 0 H ALA A 72 0.042 5.518 -11.029 1.00 10.00 H new ATOM 0 HA ALA A 72 2.077 4.456 -12.830 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.284 6.810 -13.499 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.598 6.247 -13.582 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.129 7.272 -12.227 1.00 10.00 H new ATOM 883 N ASP A 73 4.171 5.652 -11.818 1.00 10.00 N ATOM 884 CA ASP A 73 5.396 5.898 -11.061 1.00 10.00 C ATOM 885 C ASP A 73 5.440 7.324 -10.523 1.00 10.00 C ATOM 886 O ASP A 73 6.181 7.626 -9.588 1.00 10.00 O ATOM 887 CB ASP A 73 6.626 5.632 -11.933 1.00 10.00 C ATOM 888 CG ASP A 73 7.051 4.179 -11.904 1.00 10.00 C ATOM 889 OD1 ASP A 73 6.228 3.308 -12.265 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.207 3.905 -11.530 1.00 10.00 O ATOM 0 H ASP A 73 4.302 5.608 -12.829 1.00 10.00 H new ATOM 0 HA ASP A 73 5.403 5.213 -10.213 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.409 5.924 -12.961 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.452 6.256 -11.592 1.00 10.00 H new ATOM 895 N ASN A 74 4.637 8.194 -11.113 1.00 10.00 N ATOM 896 CA ASN A 74 4.575 9.593 -10.707 1.00 10.00 C ATOM 897 C ASN A 74 3.411 9.835 -9.752 1.00 10.00 C ATOM 898 O ASN A 74 2.992 10.973 -9.539 1.00 10.00 O ATOM 899 CB ASN A 74 4.432 10.493 -11.939 1.00 10.00 C ATOM 900 CG ASN A 74 3.182 10.185 -12.742 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.174 9.274 -13.573 1.00 10.00 O ATOM 902 ND2 ASN A 74 2.123 10.941 -12.509 1.00 10.00 N ATOM 0 H ASN A 74 4.012 7.955 -11.883 1.00 10.00 H new ATOM 0 HA ASN A 74 5.502 9.836 -10.188 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.409 11.536 -11.622 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.308 10.373 -12.576 1.00 10.00 H new ATOM 0 HD21 ASN A 74 1.258 10.780 -13.025 1.00 10.00 H new ATOM 0 HD22 ASN A 74 2.171 11.685 -11.813 1.00 10.00 H new ATOM 909 N HIS A 75 2.891 8.761 -9.176 1.00 10.00 N ATOM 910 CA HIS A 75 1.773 8.864 -8.251 1.00 10.00 C ATOM 911 C HIS A 75 2.248 8.798 -6.807 1.00 10.00 C ATOM 912 O HIS A 75 3.297 8.218 -6.507 1.00 10.00 O ATOM 913 CB HIS A 75 0.753 7.750 -8.504 1.00 10.00 C ATOM 914 CG HIS A 75 -0.253 8.075 -9.563 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.842 7.090 -10.322 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.751 9.277 -9.938 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.679 7.713 -11.134 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.657 9.037 -10.937 1.00 10.00 N ATOM 0 H HIS A 75 3.225 7.810 -9.333 1.00 10.00 H new ATOM 0 HA HIS A 75 1.297 9.830 -8.421 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.285 6.842 -8.789 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.229 7.533 -7.573 1.00 10.00 H new ATOM 0 HD2 HIS A 75 -0.485 10.240 -9.528 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.302 7.217 -11.864 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -2.210 9.734 -11.436 1.00 10.00 H new ATOM 926 N THR A 76 1.479 9.409 -5.921 1.00 10.00 N ATOM 927 CA THR A 76 1.784 9.410 -4.503 1.00 10.00 C ATOM 928 C THR A 76 0.527 9.029 -3.725 1.00 10.00 C ATOM 929 O THR A 76 -0.573 9.083 -4.275 1.00 10.00 O ATOM 930 CB THR A 76 2.287 10.793 -4.028 1.00 10.00 C ATOM 931 OG1 THR A 76 1.246 11.769 -4.153 1.00 10.00 O ATOM 932 CG2 THR A 76 3.501 11.240 -4.829 1.00 10.00 C ATOM 0 H THR A 76 0.629 9.916 -6.165 1.00 10.00 H new ATOM 0 HA THR A 76 2.579 8.687 -4.322 1.00 10.00 H new ATOM 0 HB THR A 76 2.576 10.701 -2.981 1.00 10.00 H new ATOM 0 HG1 THR A 76 1.096 11.968 -5.101 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.833 12.215 -4.473 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.306 10.515 -4.705 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.235 11.310 -5.884 1.00 10.00 H new ATOM 940 N PRO A 77 0.657 8.630 -2.449 1.00 10.00 N ATOM 941 CA PRO A 77 -0.497 8.259 -1.621 1.00 10.00 C ATOM 942 C PRO A 77 -1.362 9.469 -1.261 1.00 10.00 C ATOM 943 O PRO A 77 -2.432 9.329 -0.667 1.00 10.00 O ATOM 944 CB PRO A 77 0.132 7.659 -0.355 1.00 10.00 C ATOM 945 CG PRO A 77 1.574 7.450 -0.679 1.00 10.00 C ATOM 946 CD PRO A 77 1.921 8.480 -1.712 1.00 10.00 C ATOM 0 HA PRO A 77 -1.162 7.571 -2.143 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.015 8.330 0.496 1.00 10.00 H new ATOM 0 HB3 PRO A 77 -0.349 6.718 -0.087 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.194 7.565 0.210 1.00 10.00 H new ATOM 0 HG3 PRO A 77 1.746 6.443 -1.059 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.240 9.418 -1.258 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.732 8.148 -2.360 1.00 10.00 H new ATOM 954 N LYS A 78 -0.884 10.654 -1.635 1.00 10.00 N ATOM 955 CA LYS A 78 -1.586 11.899 -1.357 1.00 10.00 C ATOM 956 C LYS A 78 -2.789 12.057 -2.281 1.00 10.00 C ATOM 957 O LYS A 78 -3.792 12.673 -1.915 1.00 10.00 O ATOM 958 CB LYS A 78 -0.631 13.085 -1.528 1.00 10.00 C ATOM 959 CG LYS A 78 -1.170 14.396 -0.973 1.00 10.00 C ATOM 960 CD LYS A 78 -1.180 14.402 0.550 1.00 10.00 C ATOM 961 CE LYS A 78 0.228 14.491 1.120 1.00 10.00 C ATOM 962 NZ LYS A 78 0.398 15.681 1.994 1.00 10.00 N ATOM 0 H LYS A 78 -0.004 10.775 -2.136 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.945 11.873 -0.328 1.00 10.00 H new ATOM 0 HB2 LYS A 78 0.313 12.853 -1.034 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.413 13.213 -2.588 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.560 15.223 -1.336 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.182 14.560 -1.344 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.771 15.245 0.907 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.664 13.496 0.915 1.00 10.00 H new ATOM 0 HE2 LYS A 78 0.447 13.588 1.690 1.00 10.00 H new ATOM 0 HE3 LYS A 78 0.948 14.535 0.303 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 1.370 15.705 2.362 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.214 16.545 1.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -0.272 15.627 2.788 1.00 10.00 H new ATOM 976 N GLU A 79 -2.680 11.504 -3.481 1.00 10.00 N ATOM 977 CA GLU A 79 -3.759 11.580 -4.452 1.00 10.00 C ATOM 978 C GLU A 79 -4.528 10.268 -4.485 1.00 10.00 C ATOM 979 O GLU A 79 -4.120 9.295 -3.846 1.00 10.00 O ATOM 980 CB GLU A 79 -3.215 11.924 -5.841 1.00 10.00 C ATOM 981 CG GLU A 79 -2.093 11.012 -6.307 1.00 10.00 C ATOM 982 CD GLU A 79 -1.012 11.763 -7.051 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.249 12.166 -8.207 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.078 11.963 -6.479 1.00 10.00 O ATOM 0 H GLU A 79 -1.855 10.998 -3.804 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.441 12.375 -4.151 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -4.031 11.877 -6.562 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.855 12.953 -5.835 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.655 10.509 -5.445 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.504 10.236 -6.953 1.00 10.00 H new ATOM 991 N LEU A 80 -5.651 10.262 -5.207 1.00 10.00 N ATOM 992 CA LEU A 80 -6.513 9.080 -5.340 1.00 10.00 C ATOM 993 C LEU A 80 -7.292 8.813 -4.051 1.00 10.00 C ATOM 994 O LEU A 80 -8.510 8.628 -4.080 1.00 10.00 O ATOM 995 CB LEU A 80 -5.704 7.839 -5.740 1.00 10.00 C ATOM 996 CG LEU A 80 -5.437 7.696 -7.237 1.00 10.00 C ATOM 997 CD1 LEU A 80 -4.156 6.914 -7.479 1.00 10.00 C ATOM 998 CD2 LEU A 80 -6.614 7.017 -7.920 1.00 10.00 C ATOM 0 H LEU A 80 -5.991 11.077 -5.718 1.00 10.00 H new ATOM 0 HA LEU A 80 -7.228 9.291 -6.135 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.748 7.863 -5.217 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.234 6.952 -5.395 1.00 10.00 H new ATOM 0 HG LEU A 80 -5.315 8.692 -7.664 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.983 6.822 -8.551 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.318 7.438 -7.019 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.248 5.920 -7.040 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -6.410 6.922 -8.987 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -6.763 6.027 -7.489 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -7.514 7.615 -7.775 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.593 8.809 -2.926 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.239 8.579 -1.653 1.00 10.00 C ATOM 1012 C GLY A 81 -6.808 7.280 -1.014 1.00 10.00 C ATOM 1013 O GLY A 81 -7.545 6.297 -1.035 1.00 10.00 O ATOM 0 H GLY A 81 -5.586 8.962 -2.873 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.012 9.405 -0.979 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.320 8.570 -1.794 1.00 10.00 H new ATOM 1017 N MET A 82 -5.608 7.274 -0.448 1.00 10.00 N ATOM 1018 CA MET A 82 -5.082 6.087 0.208 1.00 10.00 C ATOM 1019 C MET A 82 -5.124 6.258 1.721 1.00 10.00 C ATOM 1020 O MET A 82 -4.551 7.203 2.266 1.00 10.00 O ATOM 1021 CB MET A 82 -3.650 5.805 -0.252 1.00 10.00 C ATOM 1022 CG MET A 82 -3.561 5.292 -1.680 1.00 10.00 C ATOM 1023 SD MET A 82 -1.885 4.825 -2.157 1.00 10.00 S ATOM 1024 CE MET A 82 -2.181 4.178 -3.801 1.00 10.00 C ATOM 0 H MET A 82 -4.981 8.079 -0.431 1.00 10.00 H new ATOM 0 HA MET A 82 -5.706 5.237 -0.068 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.063 6.719 -0.166 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.200 5.072 0.417 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.219 4.430 -1.792 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.926 6.062 -2.360 1.00 10.00 H new ATOM 0 HE1 MET A 82 -1.239 3.845 -4.236 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.871 3.336 -3.742 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.614 4.959 -4.427 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.808 5.345 2.390 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.944 5.395 3.840 1.00 10.00 C ATOM 1036 C GLU A 83 -5.386 4.130 4.484 1.00 10.00 C ATOM 1037 O GLU A 83 -4.876 3.244 3.800 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.418 5.559 4.220 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.966 6.953 3.972 1.00 10.00 C ATOM 1040 CD GLU A 83 -7.846 7.845 5.189 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -8.670 7.699 6.119 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.939 8.698 5.224 1.00 10.00 O ATOM 0 H GLU A 83 -6.281 4.555 1.951 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.375 6.250 4.207 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -8.011 4.840 3.654 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.541 5.313 5.275 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.432 7.407 3.138 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -9.013 6.882 3.679 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.482 4.057 5.806 1.00 10.00 N ATOM 1050 CA GLU A 84 -5.006 2.897 6.544 1.00 10.00 C ATOM 1051 C GLU A 84 -5.926 1.712 6.274 1.00 10.00 C ATOM 1052 O GLU A 84 -7.141 1.887 6.120 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.951 3.210 8.046 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.518 2.034 8.914 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.172 1.463 8.508 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.160 2.194 8.589 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -3.121 0.280 8.112 1.00 10.00 O ATOM 0 H GLU A 84 -5.886 4.790 6.389 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.998 2.645 6.213 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.263 4.039 8.208 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.936 3.545 8.372 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.472 2.355 9.955 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.272 1.249 8.856 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.339 0.516 6.203 1.00 10.00 N ATOM 1065 CA GLU A 85 -6.086 -0.713 5.938 1.00 10.00 C ATOM 1066 C GLU A 85 -6.651 -0.711 4.525 1.00 10.00 C ATOM 1067 O GLU A 85 -7.634 -1.395 4.238 1.00 10.00 O ATOM 1068 CB GLU A 85 -7.221 -0.899 6.948 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.786 -1.547 8.249 1.00 10.00 C ATOM 1070 CD GLU A 85 -6.322 -2.973 8.056 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -5.361 -3.382 8.741 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -6.910 -3.689 7.220 1.00 10.00 O ATOM 0 H GLU A 85 -4.337 0.373 6.327 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.390 -1.546 6.039 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.662 0.073 7.167 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -8.002 -1.508 6.494 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.979 -0.962 8.691 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -7.616 -1.530 8.955 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.033 0.063 3.643 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.488 0.135 2.266 1.00 10.00 C ATOM 1081 C ASP A 86 -6.071 -1.116 1.520 1.00 10.00 C ATOM 1082 O ASP A 86 -5.034 -1.706 1.818 1.00 10.00 O ATOM 1083 CB ASP A 86 -5.943 1.371 1.561 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.016 2.093 0.780 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -7.815 1.418 0.096 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.078 3.335 0.861 1.00 10.00 O ATOM 0 H ASP A 86 -5.222 0.644 3.856 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.575 0.209 2.274 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.512 2.049 2.298 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.138 1.079 0.887 1.00 10.00 H new ATOM 1091 N VAL A 87 -6.877 -1.517 0.556 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.595 -2.714 -0.215 1.00 10.00 C ATOM 1093 C VAL A 87 -6.135 -2.372 -1.626 1.00 10.00 C ATOM 1094 O VAL A 87 -6.857 -1.729 -2.392 1.00 10.00 O ATOM 1095 CB VAL A 87 -7.832 -3.636 -0.287 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.544 -4.868 -1.134 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.275 -4.041 1.111 1.00 10.00 C ATOM 0 H VAL A 87 -7.733 -1.032 0.287 1.00 10.00 H new ATOM 0 HA VAL A 87 -5.790 -3.239 0.298 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.642 -3.082 -0.761 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.431 -5.501 -1.169 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.278 -4.560 -2.145 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -6.717 -5.426 -0.695 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.148 -4.690 1.042 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.465 -4.573 1.609 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.530 -3.150 1.684 1.00 10.00 H new ATOM 1107 N ILE A 88 -4.926 -2.794 -1.953 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.362 -2.567 -3.269 1.00 10.00 C ATOM 1109 C ILE A 88 -4.086 -3.916 -3.928 1.00 10.00 C ATOM 1110 O ILE A 88 -3.602 -4.845 -3.282 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.075 -1.702 -3.198 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.486 -1.478 -4.594 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.041 -2.333 -2.275 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.441 -0.382 -4.642 1.00 10.00 C ATOM 0 H ILE A 88 -4.311 -3.301 -1.316 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.079 -2.009 -3.872 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.351 -0.732 -2.785 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.041 -2.409 -4.945 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.292 -1.230 -5.284 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.150 -1.706 -2.244 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.456 -2.423 -1.271 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.776 -3.322 -2.648 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.068 -0.279 -5.661 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -1.887 0.560 -4.322 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.615 -0.637 -3.978 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.429 -4.036 -5.196 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.240 -5.287 -5.912 1.00 10.00 C ATOM 1128 C GLU A 89 -3.026 -5.213 -6.827 1.00 10.00 C ATOM 1129 O GLU A 89 -2.663 -4.141 -7.307 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.496 -5.616 -6.717 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.769 -5.567 -5.887 1.00 10.00 C ATOM 1132 CD GLU A 89 -8.012 -5.458 -6.741 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.390 -4.324 -7.104 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.618 -6.504 -7.053 1.00 10.00 O ATOM 0 H GLU A 89 -4.839 -3.286 -5.752 1.00 10.00 H new ATOM 0 HA GLU A 89 -4.063 -6.080 -5.185 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.583 -4.913 -7.546 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.391 -6.610 -7.152 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.832 -6.464 -5.271 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.723 -4.716 -5.207 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.396 -6.355 -7.053 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.228 -6.425 -7.917 1.00 10.00 C ATOM 1143 C VAL A 90 -1.328 -7.642 -8.833 1.00 10.00 C ATOM 1144 O VAL A 90 -1.639 -8.748 -8.387 1.00 10.00 O ATOM 1145 CB VAL A 90 0.085 -6.470 -7.097 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.144 -7.709 -6.210 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.298 -6.399 -8.013 1.00 10.00 C ATOM 0 H VAL A 90 -2.675 -7.249 -6.649 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.204 -5.521 -8.525 1.00 10.00 H new ATOM 0 HB VAL A 90 0.099 -5.596 -6.445 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.078 -7.710 -5.648 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.697 -7.700 -5.516 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.093 -8.604 -6.831 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.208 -6.432 -7.414 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.285 -7.245 -8.701 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.271 -5.469 -8.581 1.00 10.00 H new ATOM 1157 N TYR A 91 -1.098 -7.429 -10.118 1.00 10.00 N ATOM 1158 CA TYR A 91 -1.174 -8.509 -11.091 1.00 10.00 C ATOM 1159 C TYR A 91 0.013 -8.453 -12.039 1.00 10.00 C ATOM 1160 O TYR A 91 0.656 -7.413 -12.176 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.482 -8.433 -11.887 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.720 -8.683 -11.051 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -4.226 -9.967 -10.889 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.378 -7.634 -10.423 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -5.354 -10.196 -10.125 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.505 -7.855 -9.658 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.989 -9.137 -9.511 1.00 10.00 C ATOM 1168 OH TYR A 91 -7.112 -9.358 -8.748 1.00 10.00 O ATOM 0 H TYR A 91 -0.857 -6.520 -10.513 1.00 10.00 H new ATOM 0 HA TYR A 91 -1.151 -9.455 -10.549 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.559 -7.449 -12.349 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.447 -9.163 -12.696 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.730 -10.798 -11.368 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.001 -6.628 -10.535 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.737 -11.199 -10.009 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.005 -7.028 -9.177 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.435 -8.506 -8.386 1.00 10.00 H new ATOM 1178 N GLN A 92 0.297 -9.571 -12.689 1.00 10.00 N ATOM 1179 CA GLN A 92 1.409 -9.651 -13.625 1.00 10.00 C ATOM 1180 C GLN A 92 1.076 -8.910 -14.914 1.00 10.00 C ATOM 1181 O GLN A 92 -0.034 -9.023 -15.434 1.00 10.00 O ATOM 1182 CB GLN A 92 1.731 -11.113 -13.934 1.00 10.00 C ATOM 1183 CG GLN A 92 3.098 -11.323 -14.567 1.00 10.00 C ATOM 1184 CD GLN A 92 3.088 -12.410 -15.624 1.00 10.00 C ATOM 1185 OE1 GLN A 92 3.217 -13.595 -15.317 1.00 10.00 O ATOM 1186 NE2 GLN A 92 2.941 -12.013 -16.877 1.00 10.00 N ATOM 0 H GLN A 92 -0.229 -10.439 -12.585 1.00 10.00 H new ATOM 0 HA GLN A 92 2.280 -9.182 -13.168 1.00 10.00 H new ATOM 0 HB2 GLN A 92 1.677 -11.690 -13.011 1.00 10.00 H new ATOM 0 HB3 GLN A 92 0.967 -11.509 -14.603 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.435 -10.388 -15.015 1.00 10.00 H new ATOM 0 HG3 GLN A 92 3.818 -11.582 -13.791 1.00 10.00 H new ATOM 0 HE21 GLN A 92 2.837 -11.021 -17.089 1.00 10.00 H new ATOM 0 HE22 GLN A 92 2.932 -12.699 -17.632 1.00 10.00 H new ATOM 1195 N GLU A 93 2.040 -8.150 -15.421 1.00 10.00 N ATOM 1196 CA GLU A 93 1.852 -7.396 -16.651 1.00 10.00 C ATOM 1197 C GLU A 93 1.864 -8.323 -17.857 1.00 10.00 C ATOM 1198 O GLU A 93 2.388 -9.434 -17.791 1.00 10.00 O ATOM 1199 CB GLU A 93 2.935 -6.329 -16.795 1.00 10.00 C ATOM 1200 CG GLU A 93 2.520 -4.972 -16.251 1.00 10.00 C ATOM 1201 CD GLU A 93 1.454 -4.304 -17.099 1.00 10.00 C ATOM 1202 OE1 GLU A 93 0.393 -4.922 -17.333 1.00 10.00 O ATOM 1203 OE2 GLU A 93 1.674 -3.154 -17.535 1.00 10.00 O ATOM 0 H GLU A 93 2.961 -8.041 -14.997 1.00 10.00 H new ATOM 0 HA GLU A 93 0.881 -6.904 -16.603 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.834 -6.661 -16.275 1.00 10.00 H new ATOM 0 HB3 GLU A 93 3.196 -6.226 -17.848 1.00 10.00 H new ATOM 0 HG2 GLU A 93 2.148 -5.091 -15.234 1.00 10.00 H new ATOM 0 HG3 GLU A 93 3.395 -4.324 -16.196 1.00 10.00 H new ATOM 1210 N GLN A 94 1.301 -7.852 -18.960 1.00 10.00 N ATOM 1211 CA GLN A 94 1.228 -8.645 -20.180 1.00 10.00 C ATOM 1212 C GLN A 94 2.596 -8.757 -20.848 1.00 10.00 C ATOM 1213 O GLN A 94 2.859 -9.704 -21.586 1.00 10.00 O ATOM 1214 CB GLN A 94 0.212 -8.034 -21.147 1.00 10.00 C ATOM 1215 CG GLN A 94 -0.447 -9.052 -22.070 1.00 10.00 C ATOM 1216 CD GLN A 94 -1.131 -10.181 -21.318 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -1.569 -10.017 -20.178 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.240 -11.335 -21.957 1.00 10.00 N ATOM 0 H GLN A 94 0.887 -6.923 -19.036 1.00 10.00 H new ATOM 0 HA GLN A 94 0.902 -9.650 -19.912 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.561 -7.524 -20.573 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.710 -7.277 -21.753 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -1.180 -8.544 -22.697 1.00 10.00 H new ATOM 0 HG3 GLN A 94 0.307 -9.471 -22.736 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -0.865 -11.433 -22.900 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -1.699 -12.126 -21.506 1.00 10.00 H new ATOM 1227 N THR A 95 3.464 -7.788 -20.583 1.00 10.00 N ATOM 1228 CA THR A 95 4.804 -7.790 -21.151 1.00 10.00 C ATOM 1229 C THR A 95 5.711 -8.756 -20.400 1.00 10.00 C ATOM 1230 O THR A 95 6.587 -9.395 -20.985 1.00 10.00 O ATOM 1231 CB THR A 95 5.431 -6.388 -21.097 1.00 10.00 C ATOM 1232 OG1 THR A 95 5.119 -5.764 -19.842 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.933 -5.523 -22.240 1.00 10.00 C ATOM 0 H THR A 95 3.263 -6.992 -19.978 1.00 10.00 H new ATOM 0 HA THR A 95 4.710 -8.106 -22.190 1.00 10.00 H new ATOM 0 HB THR A 95 6.512 -6.493 -21.194 1.00 10.00 H new ATOM 0 HG1 THR A 95 5.522 -4.871 -19.811 1.00 10.00 H new ATOM 0 HG21 THR A 95 5.393 -4.537 -22.177 1.00 10.00 H new ATOM 0 HG22 THR A 95 5.198 -5.987 -23.190 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.850 -5.423 -22.175 1.00 10.00 H new ATOM 1241 N GLY A 96 5.484 -8.865 -19.096 1.00 10.00 N ATOM 1242 CA GLY A 96 6.298 -9.729 -18.269 1.00 10.00 C ATOM 1243 C GLY A 96 7.575 -9.030 -17.849 1.00 10.00 C ATOM 1244 O GLY A 96 8.511 -9.661 -17.357 1.00 10.00 O ATOM 0 H GLY A 96 4.747 -8.367 -18.597 1.00 10.00 H new ATOM 0 HA2 GLY A 96 5.735 -10.029 -17.385 1.00 10.00 H new ATOM 0 HA3 GLY A 96 6.540 -10.640 -18.816 1.00 10.00 H new ATOM 1248 N GLY A 97 7.610 -7.721 -18.061 1.00 10.00 N ATOM 1249 CA GLY A 97 8.768 -6.929 -17.716 1.00 10.00 C ATOM 1250 C GLY A 97 8.758 -5.598 -18.437 1.00 10.00 C ATOM 1251 O GLY A 97 9.844 -5.030 -18.668 1.00 10.00 O ATOM 0 H GLY A 97 6.843 -7.190 -18.472 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.789 -6.762 -16.639 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.675 -7.477 -17.971 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -5.411 -15.376 5.585 1.00 10.00 N ATOM 1257 CA ASN B 357 -4.596 -15.293 6.817 1.00 10.00 C ATOM 1258 C ASN B 357 -3.113 -15.378 6.473 1.00 10.00 C ATOM 1259 O ASN B 357 -2.385 -16.227 6.985 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.985 -16.411 7.803 1.00 10.00 C ATOM 1261 CG ASN B 357 -4.448 -16.177 9.208 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -3.386 -16.677 9.572 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -5.182 -15.417 10.009 1.00 10.00 N ATOM 0 HA ASN B 357 -4.790 -14.333 7.296 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -6.071 -16.491 7.844 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -4.609 -17.364 7.430 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -4.870 -15.231 10.962 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -6.058 -15.019 9.672 1.00 10.00 H new ATOM 1270 N ASN B 358 -2.663 -14.509 5.584 1.00 10.00 N ATOM 1271 CA ASN B 358 -1.264 -14.481 5.193 1.00 10.00 C ATOM 1272 C ASN B 358 -0.703 -13.121 5.524 1.00 10.00 C ATOM 1273 O ASN B 358 -1.280 -12.107 5.142 1.00 10.00 O ATOM 1274 CB ASN B 358 -1.125 -14.750 3.692 1.00 10.00 C ATOM 1275 CG ASN B 358 -0.585 -16.133 3.389 1.00 10.00 C ATOM 1276 OD1 ASN B 358 0.304 -16.630 4.079 1.00 10.00 O ATOM 1277 ND2 ASN B 358 -1.118 -16.766 2.358 1.00 10.00 N ATOM 0 H ASN B 358 -3.246 -13.813 5.119 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.717 -15.255 5.731 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -2.098 -14.633 3.215 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -0.463 -14.003 3.254 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -0.794 -17.701 2.110 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -1.854 -16.320 1.810 1.00 10.00 H new ATOM 1284 N ARG B 359 0.379 -13.076 6.272 1.00 10.00 N ATOM 1285 CA ARG B 359 0.954 -11.788 6.616 1.00 10.00 C ATOM 1286 C ARG B 359 2.426 -11.677 6.250 1.00 10.00 C ATOM 1287 O ARG B 359 3.250 -12.493 6.673 1.00 10.00 O ATOM 1288 CB ARG B 359 0.772 -11.508 8.114 1.00 10.00 C ATOM 1289 CG ARG B 359 1.160 -12.667 9.020 1.00 10.00 C ATOM 1290 CD ARG B 359 1.036 -12.283 10.485 1.00 10.00 C ATOM 1291 NE ARG B 359 1.431 -13.369 11.383 1.00 10.00 N ATOM 1292 CZ ARG B 359 1.856 -13.182 12.635 1.00 10.00 C ATOM 1293 NH1 ARG B 359 1.953 -11.958 13.133 1.00 10.00 N ATOM 1294 NH2 ARG B 359 2.176 -14.225 13.389 1.00 10.00 N ATOM 0 H ARG B 359 0.868 -13.889 6.646 1.00 10.00 H new ATOM 0 HA ARG B 359 0.419 -11.042 6.028 1.00 10.00 H new ATOM 0 HB2 ARG B 359 1.368 -10.636 8.384 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.271 -11.251 8.299 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.522 -13.525 8.811 1.00 10.00 H new ATOM 0 HG3 ARG B 359 2.184 -12.972 8.806 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.656 -11.409 10.682 1.00 10.00 H new ATOM 0 HD3 ARG B 359 0.006 -11.997 10.697 1.00 10.00 H new ATOM 0 HE ARG B 359 1.379 -14.325 11.032 1.00 10.00 H new ATOM 0 HH11 ARG B 359 1.702 -11.153 12.559 1.00 10.00 H new ATOM 0 HH12 ARG B 359 2.278 -11.821 14.090 1.00 10.00 H new ATOM 0 HH21 ARG B 359 2.097 -15.170 13.013 1.00 10.00 H new ATOM 0 HH22 ARG B 359 2.501 -14.082 14.345 1.00 10.00 H new ATOM 1308 N ASP B 360 2.731 -10.692 5.433 1.00 10.00 N ATOM 1309 CA ASP B 360 4.101 -10.371 5.069 1.00 10.00 C ATOM 1310 C ASP B 360 4.305 -8.881 5.317 1.00 10.00 C ATOM 1311 O ASP B 360 3.534 -8.077 4.795 1.00 10.00 O ATOM 1312 CB ASP B 360 4.393 -10.733 3.612 1.00 10.00 C ATOM 1313 CG ASP B 360 5.846 -10.486 3.232 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.102 -9.945 2.135 1.00 10.00 O ATOM 1315 OD2 ASP B 360 6.742 -10.845 4.026 1.00 10.00 O ATOM 0 H ASP B 360 2.035 -10.086 4.999 1.00 10.00 H new ATOM 0 HA ASP B 360 4.794 -10.955 5.674 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.150 -11.783 3.446 1.00 10.00 H new ATOM 0 HB3 ASP B 360 3.745 -10.149 2.959 1.00 10.00 H new ATOM 1320 N PRO B 361 5.331 -8.458 6.069 1.00 10.00 N ATOM 1321 CA PRO B 361 5.550 -7.051 6.334 1.00 10.00 C ATOM 1322 C PRO B 361 6.796 -6.497 5.641 1.00 10.00 C ATOM 1323 O PRO B 361 7.903 -7.014 5.778 1.00 10.00 O ATOM 1324 CB PRO B 361 5.772 -7.102 7.849 1.00 10.00 C ATOM 1325 CG PRO B 361 6.515 -8.392 8.073 1.00 10.00 C ATOM 1326 CD PRO B 361 6.250 -9.275 6.863 1.00 10.00 C ATOM 0 HA PRO B 361 4.743 -6.409 5.982 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.350 -6.245 8.195 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.826 -7.089 8.390 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.583 -8.207 8.188 1.00 10.00 H new ATOM 0 HG3 PRO B 361 6.175 -8.879 8.987 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.166 -9.501 6.318 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.804 -10.228 7.146 1.00 10.00 H new ATOM 1334 N ILE B 362 6.590 -5.423 4.891 1.00 10.00 N ATOM 1335 CA ILE B 362 7.662 -4.755 4.167 1.00 10.00 C ATOM 1336 C ILE B 362 7.777 -3.315 4.636 1.00 10.00 C ATOM 1337 O ILE B 362 6.768 -2.626 4.801 1.00 10.00 O ATOM 1338 CB ILE B 362 7.463 -4.774 2.637 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.879 -6.113 2.173 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.788 -4.500 1.933 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.559 -6.143 0.695 1.00 10.00 C ATOM 0 H ILE B 362 5.675 -4.990 4.768 1.00 10.00 H new ATOM 0 HA ILE B 362 8.577 -5.308 4.382 1.00 10.00 H new ATOM 0 HB ILE B 362 6.753 -3.989 2.375 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.587 -6.910 2.401 1.00 10.00 H new ATOM 0 HG13 ILE B 362 5.971 -6.322 2.739 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.637 -4.516 0.854 1.00 10.00 H new ATOM 0 HG22 ILE B 362 9.164 -3.522 2.233 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.512 -5.267 2.209 1.00 10.00 H new ATOM 0 HD11 ILE B 362 6.149 -7.118 0.431 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.828 -5.368 0.465 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.469 -5.965 0.122 1.00 10.00 H new ATOM 1353 N VAL B 363 9.000 -2.868 4.861 1.00 10.00 N ATOM 1354 CA VAL B 363 9.252 -1.518 5.336 1.00 10.00 C ATOM 1355 C VAL B 363 9.974 -0.715 4.251 1.00 10.00 C ATOM 1356 O VAL B 363 10.900 -1.200 3.602 1.00 10.00 O ATOM 1357 CB VAL B 363 10.064 -1.514 6.651 1.00 10.00 C ATOM 1358 CG1 VAL B 363 10.149 -0.110 7.235 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.436 -2.475 7.653 1.00 10.00 C ATOM 0 H VAL B 363 9.842 -3.426 4.721 1.00 10.00 H new ATOM 0 HA VAL B 363 8.292 -1.049 5.551 1.00 10.00 H new ATOM 0 HB VAL B 363 11.079 -1.846 6.432 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.725 -0.135 8.160 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.638 0.552 6.520 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.145 0.259 7.443 1.00 10.00 H new ATOM 0 HG21 VAL B 363 10.014 -2.466 8.577 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.412 -2.165 7.863 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.432 -3.483 7.237 1.00 10.00 H new ATOM 1369 N ILE B 364 9.510 0.511 4.065 1.00 10.00 N ATOM 1370 CA ILE B 364 9.999 1.413 3.029 1.00 10.00 C ATOM 1371 C ILE B 364 10.723 2.622 3.615 1.00 10.00 C ATOM 1372 O ILE B 364 10.410 3.086 4.714 1.00 10.00 O ATOM 1373 CB ILE B 364 8.870 1.881 2.077 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.468 2.307 0.726 1.00 10.00 C ATOM 1375 CG2 ILE B 364 8.065 3.027 2.691 1.00 10.00 C ATOM 1376 CD1 ILE B 364 10.176 1.191 -0.017 1.00 10.00 C ATOM 0 H ILE B 364 8.770 0.916 4.639 1.00 10.00 H new ATOM 0 HA ILE B 364 10.716 0.835 2.446 1.00 10.00 H new ATOM 0 HB ILE B 364 8.188 1.046 1.919 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.670 2.700 0.095 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.173 3.122 0.893 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.281 3.333 1.998 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.614 2.695 3.626 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.726 3.872 2.887 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.569 1.573 -0.959 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.997 0.812 0.592 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.472 0.384 -0.219 1.00 10.00 H new HETATM 1388 N SEP B 365 11.713 3.099 2.874 1.00 10.00 N HETATM 1389 CA SEP B 365 12.536 4.219 3.288 1.00 10.00 C HETATM 1390 CB SEP B 365 14.002 3.922 2.940 1.00 10.00 C HETATM 1391 OG SEP B 365 14.110 3.422 1.610 1.00 10.00 O HETATM 1392 C SEP B 365 12.064 5.462 2.538 1.00 10.00 C HETATM 1393 O SEP B 365 11.841 5.434 1.320 1.00 10.00 O HETATM 1394 P SEP B 365 15.491 3.528 0.809 1.00 10.00 P HETATM 1395 O1P SEP B 365 15.411 3.066 -0.589 1.00 10.00 O HETATM 1396 O2P SEP B 365 16.658 3.001 1.537 1.00 10.00 O HETATM 1397 O3P SEP B 365 15.772 5.094 0.680 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.597 4.830 3.043 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.408 3.194 3.642 1.00 10.00 H new HETATM 0 HA SEP B 365 12.453 4.381 4.363 1.00 10.00 H new HETATM 0 H SEP B 365 12.142 2.288 2.429 1.00 10.00 H new ATOM 1402 N ASP B 366 11.902 6.550 3.286 1.00 10.00 N ATOM 1403 CA ASP B 366 11.356 7.787 2.752 1.00 10.00 C ATOM 1404 C ASP B 366 12.377 8.910 2.737 1.00 10.00 C ATOM 1405 O ASP B 366 13.090 9.152 3.713 1.00 10.00 O ATOM 1406 CB ASP B 366 10.147 8.192 3.598 1.00 10.00 C ATOM 1407 CG ASP B 366 9.773 9.649 3.448 1.00 10.00 C ATOM 1408 OD1 ASP B 366 10.079 10.446 4.367 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.146 9.994 2.433 1.00 10.00 O ATOM 0 H ASP B 366 12.146 6.596 4.275 1.00 10.00 H new ATOM 0 HA ASP B 366 11.062 7.612 1.717 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.293 7.574 3.318 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.360 7.985 4.647 1.00 10.00 H new HETATM 1414 N SEP B 367 12.443 9.560 1.589 1.00 10.00 N HETATM 1415 CA SEP B 367 13.355 10.664 1.354 1.00 10.00 C HETATM 1416 CB SEP B 367 13.175 11.151 -0.081 1.00 10.00 C HETATM 1417 OG SEP B 367 13.163 10.061 -0.992 1.00 10.00 O HETATM 1418 C SEP B 367 13.114 11.819 2.324 1.00 10.00 C HETATM 1419 O SEP B 367 11.970 12.173 2.615 1.00 10.00 O HETATM 1420 P SEP B 367 14.483 9.182 -1.196 1.00 10.00 P HETATM 1421 O1P SEP B 367 15.721 9.974 -1.294 1.00 10.00 O HETATM 1422 O2P SEP B 367 14.590 8.033 -0.282 1.00 10.00 O HETATM 1423 O3P SEP B 367 14.312 8.526 -2.641 1.00 10.00 O HETATM 0 HB3 SEP B 367 12.243 11.710 -0.165 1.00 10.00 H new HETATM 0 HB2 SEP B 367 13.982 11.837 -0.340 1.00 10.00 H new HETATM 0 HA SEP B 367 14.373 10.310 1.515 1.00 10.00 H new HETATM 0 H SEP B 367 11.824 9.242 0.843 1.00 10.00 H new ATOM 1428 N PRO B 368 14.201 12.425 2.828 1.00 10.00 N ATOM 1429 CA PRO B 368 14.129 13.553 3.762 1.00 10.00 C ATOM 1430 C PRO B 368 13.361 14.738 3.181 1.00 10.00 C ATOM 1431 O PRO B 368 12.473 15.268 3.880 1.00 10.00 O ATOM 1432 CB PRO B 368 15.599 13.930 3.997 1.00 10.00 C ATOM 1433 CG PRO B 368 16.359 13.282 2.893 1.00 10.00 C ATOM 1434 CD PRO B 368 15.590 12.049 2.531 1.00 10.00 C ATOM 0 HA PRO B 368 13.597 13.286 4.675 1.00 10.00 H new ATOM 0 HB2 PRO B 368 15.733 15.012 3.983 1.00 10.00 H new ATOM 0 HB3 PRO B 368 15.943 13.578 4.969 1.00 10.00 H new ATOM 0 HG2 PRO B 368 16.450 13.951 2.037 1.00 10.00 H new ATOM 0 HG3 PRO B 368 17.371 13.031 3.211 1.00 10.00 H new ATOM 0 HD2 PRO B 368 15.721 11.786 1.481 1.00 10.00 H new ATOM 0 HD3 PRO B 368 15.909 11.188 3.118 1.00 10.00 H new TER 1442 PRO B 368