USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=21 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 Set 1.1: A 45 LYS NZ :NH3+ -128:sc= 1.22 (180deg=0.673) USER MOD Set 1.2: A 59 MET CE :methyl 167:sc= -0.146 (180deg=-0.279) USER MOD Single : A 21 TYR OH : rot 39:sc= 1.24 USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 1.11 (180deg=-0.362!) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 1.18 (180deg=1.1) USER MOD Single : A 29 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.015) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -97:sc= -0.312! USER MOD Single : A 35 HIS : no HD1:sc= 0.6 K(o=0.6,f=-6.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.18) USER MOD Single : A 40 MET CE :methyl 157:sc= 0 (180deg=-0.0813) USER MOD Single : A 41 THR OG1 : rot -20:sc= -0.288 USER MOD Single : A 42 THR OG1 : rot -36:sc= 0.0621 USER MOD Single : A 43 HIS : no HD1:sc= 0.0011 K(o=0.0011,f=-5.2!) USER MOD Single : A 46 LYS NZ :NH3+ -131:sc= 2.43 (180deg=-0.473) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 2.44 (180deg=1.98) USER MOD Single : A 50 SER OG : rot 91:sc= 1.23 USER MOD Single : A 51 TYR OH : rot 70:sc= -0.499 USER MOD Single : A 52 CYS SG : rot 70:sc= -2.05! USER MOD Single : A 53 GLN : amide:sc= -0.759 K(o=-0.76,f=-3.2!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.142 F(o=-1,f=-0.14) USER MOD Single : A 60 ASN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 61 SER OG : rot -69:sc= 1.16 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 75 HIS : no HD1:sc= 0.625 K(o=0.62,f=-6.5!) USER MOD Single : A 76 THR OG1 : rot 24:sc= 0.303 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= 0 X(o=0,f=-0.34) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : B 357 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 358 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.885 6.001 9.667 1.00 10.00 N ATOM 2 CA TYR A 21 3.035 5.090 8.514 1.00 10.00 C ATOM 3 C TYR A 21 1.671 4.600 8.052 1.00 10.00 C ATOM 4 O TYR A 21 0.746 4.473 8.852 1.00 10.00 O ATOM 5 CB TYR A 21 3.921 3.896 8.889 1.00 10.00 C ATOM 6 CG TYR A 21 5.360 4.021 8.429 1.00 10.00 C ATOM 7 CD1 TYR A 21 6.105 2.893 8.100 1.00 10.00 C ATOM 8 CD2 TYR A 21 5.973 5.263 8.322 1.00 10.00 C ATOM 9 CE1 TYR A 21 7.420 3.003 7.679 1.00 10.00 C ATOM 10 CE2 TYR A 21 7.285 5.380 7.902 1.00 10.00 C ATOM 11 CZ TYR A 21 8.003 4.248 7.582 1.00 10.00 C ATOM 12 OH TYR A 21 9.311 4.365 7.166 1.00 10.00 O ATOM 0 HA TYR A 21 3.510 5.637 7.699 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.907 3.774 9.972 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.492 2.991 8.460 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.651 1.916 8.174 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.415 6.153 8.571 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.985 2.118 7.428 1.00 10.00 H new ATOM 0 HE2 TYR A 21 7.745 6.354 7.825 1.00 10.00 H new ATOM 0 HH TYR A 21 9.483 3.725 6.444 1.00 10.00 H new ATOM 22 N ILE A 22 1.550 4.337 6.762 1.00 10.00 N ATOM 23 CA ILE A 22 0.305 3.858 6.186 1.00 10.00 C ATOM 24 C ILE A 22 0.466 2.403 5.773 1.00 10.00 C ATOM 25 O ILE A 22 1.313 2.081 4.942 1.00 10.00 O ATOM 26 CB ILE A 22 -0.111 4.689 4.951 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.087 6.188 5.267 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.490 4.269 4.465 1.00 10.00 C ATOM 29 CD1 ILE A 22 -1.077 6.608 6.335 1.00 10.00 C ATOM 0 H ILE A 22 2.307 4.449 6.088 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.473 3.958 6.943 1.00 10.00 H new ATOM 0 HB ILE A 22 0.610 4.498 4.156 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.917 6.465 5.587 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.295 6.745 4.354 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.766 4.865 3.595 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.474 3.214 4.192 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.219 4.427 5.259 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.999 7.682 6.501 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.088 6.364 6.010 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -0.857 6.080 7.263 1.00 10.00 H new ATOM 41 N LYS A 23 -0.328 1.526 6.355 1.00 10.00 N ATOM 42 CA LYS A 23 -0.240 0.113 6.036 1.00 10.00 C ATOM 43 C LYS A 23 -1.272 -0.270 4.984 1.00 10.00 C ATOM 44 O LYS A 23 -2.477 -0.305 5.253 1.00 10.00 O ATOM 45 CB LYS A 23 -0.429 -0.727 7.294 1.00 10.00 C ATOM 46 CG LYS A 23 -0.174 -2.210 7.083 1.00 10.00 C ATOM 47 CD LYS A 23 -0.512 -3.017 8.326 1.00 10.00 C ATOM 48 CE LYS A 23 -2.016 -3.183 8.502 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.624 -2.057 9.260 1.00 10.00 N ATOM 0 H LYS A 23 -1.038 1.764 7.048 1.00 10.00 H new ATOM 0 HA LYS A 23 0.752 -0.084 5.629 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.242 -0.359 8.070 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.446 -0.591 7.661 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.770 -2.567 6.243 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.872 -2.366 6.820 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.043 -3.999 8.260 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.096 -2.523 9.204 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.488 -3.255 7.522 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.217 -4.119 9.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.423 -2.410 9.825 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.911 -1.639 9.892 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.964 -1.334 8.594 1.00 10.00 H new ATOM 63 N LEU A 24 -0.789 -0.544 3.782 1.00 10.00 N ATOM 64 CA LEU A 24 -1.650 -0.937 2.677 1.00 10.00 C ATOM 65 C LEU A 24 -1.639 -2.453 2.536 1.00 10.00 C ATOM 66 O LEU A 24 -0.583 -3.081 2.631 1.00 10.00 O ATOM 67 CB LEU A 24 -1.177 -0.292 1.370 1.00 10.00 C ATOM 68 CG LEU A 24 -1.018 1.230 1.405 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.331 1.719 0.139 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.368 1.908 1.570 1.00 10.00 C ATOM 0 H LEU A 24 0.202 -0.501 3.546 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.664 -0.597 2.885 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.220 -0.733 1.093 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.885 -0.548 0.582 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.397 1.490 2.262 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.225 2.803 0.178 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.655 1.261 0.060 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -0.930 1.444 -0.729 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.232 2.989 1.592 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -3.014 1.641 0.734 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.828 1.581 2.502 1.00 10.00 H new ATOM 82 N LYS A 25 -2.804 -3.042 2.327 1.00 10.00 N ATOM 83 CA LYS A 25 -2.907 -4.483 2.173 1.00 10.00 C ATOM 84 C LYS A 25 -2.949 -4.862 0.701 1.00 10.00 C ATOM 85 O LYS A 25 -3.899 -4.537 -0.014 1.00 10.00 O ATOM 86 CB LYS A 25 -4.137 -5.013 2.910 1.00 10.00 C ATOM 87 CG LYS A 25 -3.922 -5.127 4.411 1.00 10.00 C ATOM 88 CD LYS A 25 -5.220 -5.380 5.156 1.00 10.00 C ATOM 89 CE LYS A 25 -4.949 -5.792 6.594 1.00 10.00 C ATOM 90 NZ LYS A 25 -6.172 -5.751 7.437 1.00 10.00 N ATOM 0 H LYS A 25 -3.692 -2.545 2.260 1.00 10.00 H new ATOM 0 HA LYS A 25 -2.023 -4.943 2.614 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -4.982 -4.352 2.718 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.400 -5.992 2.510 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -3.223 -5.938 4.616 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.464 -4.210 4.782 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.834 -4.479 5.141 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -5.788 -6.161 4.651 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.535 -6.800 6.608 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -4.194 -5.132 7.022 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -6.007 -6.286 8.314 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -6.399 -4.764 7.671 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.967 -6.175 6.917 1.00 10.00 H new ATOM 104 N VAL A 26 -1.897 -5.530 0.251 1.00 10.00 N ATOM 105 CA VAL A 26 -1.792 -5.956 -1.134 1.00 10.00 C ATOM 106 C VAL A 26 -2.352 -7.362 -1.294 1.00 10.00 C ATOM 107 O VAL A 26 -2.077 -8.247 -0.481 1.00 10.00 O ATOM 108 CB VAL A 26 -0.329 -5.933 -1.632 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.278 -5.923 -3.153 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.428 -4.739 -1.064 1.00 10.00 C ATOM 0 H VAL A 26 -1.099 -5.790 0.831 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.370 -5.253 -1.734 1.00 10.00 H new ATOM 0 HB VAL A 26 0.158 -6.841 -1.276 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.761 -5.907 -3.482 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.767 -6.817 -3.539 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.791 -5.038 -3.528 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.454 -4.750 -1.432 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.060 -3.816 -1.377 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.433 -4.795 0.025 1.00 10.00 H new ATOM 120 N ILE A 27 -3.145 -7.561 -2.334 1.00 10.00 N ATOM 121 CA ILE A 27 -3.746 -8.860 -2.598 1.00 10.00 C ATOM 122 C ILE A 27 -2.846 -9.694 -3.502 1.00 10.00 C ATOM 123 O ILE A 27 -2.698 -9.399 -4.690 1.00 10.00 O ATOM 124 CB ILE A 27 -5.137 -8.712 -3.254 1.00 10.00 C ATOM 125 CG1 ILE A 27 -6.004 -7.730 -2.455 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.828 -10.066 -3.363 1.00 10.00 C ATOM 127 CD1 ILE A 27 -6.160 -8.098 -0.992 1.00 10.00 C ATOM 0 H ILE A 27 -3.389 -6.838 -3.011 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.864 -9.365 -1.640 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.001 -8.316 -4.260 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.566 -6.734 -2.524 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -6.991 -7.676 -2.913 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.806 -9.939 -3.828 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.221 -10.736 -3.972 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.952 -10.492 -2.368 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.786 -7.357 -0.495 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.627 -9.080 -0.912 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -5.179 -8.123 -0.517 1.00 10.00 H new ATOM 139 N GLY A 28 -2.232 -10.719 -2.926 1.00 10.00 N ATOM 140 CA GLY A 28 -1.355 -11.582 -3.689 1.00 10.00 C ATOM 141 C GLY A 28 -2.126 -12.616 -4.485 1.00 10.00 C ATOM 142 O GLY A 28 -3.200 -13.058 -4.068 1.00 10.00 O ATOM 0 H GLY A 28 -2.327 -10.968 -1.941 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -0.753 -10.978 -4.367 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.665 -12.086 -3.013 1.00 10.00 H new ATOM 146 N GLN A 29 -1.564 -13.024 -5.619 1.00 10.00 N ATOM 147 CA GLN A 29 -2.202 -14.006 -6.493 1.00 10.00 C ATOM 148 C GLN A 29 -2.339 -15.363 -5.805 1.00 10.00 C ATOM 149 O GLN A 29 -3.187 -16.178 -6.177 1.00 10.00 O ATOM 150 CB GLN A 29 -1.401 -14.157 -7.788 1.00 10.00 C ATOM 151 CG GLN A 29 -2.141 -14.907 -8.887 1.00 10.00 C ATOM 152 CD GLN A 29 -3.250 -14.084 -9.511 1.00 10.00 C ATOM 153 OE1 GLN A 29 -3.029 -13.364 -10.487 1.00 10.00 O ATOM 154 NE2 GLN A 29 -4.452 -14.190 -8.963 1.00 10.00 N ATOM 0 H GLN A 29 -0.662 -12.688 -5.957 1.00 10.00 H new ATOM 0 HA GLN A 29 -3.203 -13.644 -6.726 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -1.132 -13.166 -8.155 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -0.470 -14.679 -7.569 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -1.432 -15.201 -9.661 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -2.562 -15.824 -8.475 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -4.593 -14.797 -8.156 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -5.236 -13.664 -9.349 1.00 10.00 H new ATOM 163 N ASP A 30 -1.509 -15.608 -4.801 1.00 10.00 N ATOM 164 CA ASP A 30 -1.546 -16.867 -4.067 1.00 10.00 C ATOM 165 C ASP A 30 -2.373 -16.730 -2.791 1.00 10.00 C ATOM 166 O ASP A 30 -2.157 -17.458 -1.819 1.00 10.00 O ATOM 167 CB ASP A 30 -0.124 -17.341 -3.735 1.00 10.00 C ATOM 168 CG ASP A 30 0.624 -16.399 -2.808 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.671 -15.185 -3.096 1.00 10.00 O ATOM 170 OD2 ASP A 30 1.187 -16.875 -1.797 1.00 10.00 O ATOM 0 H ASP A 30 -0.800 -14.951 -4.475 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.021 -17.614 -4.703 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.176 -18.327 -3.274 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.440 -17.451 -4.661 1.00 10.00 H new ATOM 175 N SER A 31 -3.325 -15.795 -2.811 1.00 10.00 N ATOM 176 CA SER A 31 -4.207 -15.548 -1.671 1.00 10.00 C ATOM 177 C SER A 31 -3.403 -15.129 -0.442 1.00 10.00 C ATOM 178 O SER A 31 -3.634 -15.604 0.671 1.00 10.00 O ATOM 179 CB SER A 31 -5.053 -16.793 -1.369 1.00 10.00 C ATOM 180 OG SER A 31 -5.784 -17.196 -2.518 1.00 10.00 O ATOM 0 H SER A 31 -3.505 -15.191 -3.613 1.00 10.00 H new ATOM 0 HA SER A 31 -4.879 -14.729 -1.929 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.407 -17.607 -1.040 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.741 -16.581 -0.550 1.00 10.00 H new ATOM 0 HG SER A 31 -6.315 -17.992 -2.305 1.00 10.00 H new ATOM 186 N SER A 32 -2.461 -14.227 -0.661 1.00 10.00 N ATOM 187 CA SER A 32 -1.609 -13.731 0.404 1.00 10.00 C ATOM 188 C SER A 32 -1.998 -12.309 0.783 1.00 10.00 C ATOM 189 O SER A 32 -2.493 -11.547 -0.054 1.00 10.00 O ATOM 190 CB SER A 32 -0.150 -13.773 -0.051 1.00 10.00 C ATOM 191 OG SER A 32 -0.035 -13.349 -1.399 1.00 10.00 O ATOM 0 H SER A 32 -2.267 -13.821 -1.576 1.00 10.00 H new ATOM 0 HA SER A 32 -1.734 -14.365 1.282 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.455 -13.132 0.590 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.240 -14.786 0.052 1.00 10.00 H new ATOM 0 HG SER A 32 -0.003 -14.133 -1.987 1.00 10.00 H new ATOM 197 N GLU A 33 -1.794 -11.965 2.044 1.00 10.00 N ATOM 198 CA GLU A 33 -2.102 -10.636 2.529 1.00 10.00 C ATOM 199 C GLU A 33 -0.802 -9.888 2.804 1.00 10.00 C ATOM 200 O GLU A 33 -0.177 -10.068 3.851 1.00 10.00 O ATOM 201 CB GLU A 33 -2.967 -10.712 3.791 1.00 10.00 C ATOM 202 CG GLU A 33 -3.659 -9.407 4.146 1.00 10.00 C ATOM 203 CD GLU A 33 -4.535 -9.533 5.375 1.00 10.00 C ATOM 204 OE1 GLU A 33 -4.188 -8.950 6.422 1.00 10.00 O ATOM 205 OE2 GLU A 33 -5.577 -10.221 5.301 1.00 10.00 O ATOM 0 H GLU A 33 -1.414 -12.594 2.751 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.669 -10.096 1.771 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -3.722 -11.486 3.655 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.342 -11.020 4.629 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -2.908 -8.635 4.316 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -4.267 -9.080 3.302 1.00 10.00 H new ATOM 212 N ILE A 34 -0.376 -9.074 1.851 1.00 10.00 N ATOM 213 CA ILE A 34 0.865 -8.328 1.998 1.00 10.00 C ATOM 214 C ILE A 34 0.620 -7.017 2.734 1.00 10.00 C ATOM 215 O ILE A 34 -0.235 -6.226 2.340 1.00 10.00 O ATOM 216 CB ILE A 34 1.534 -8.016 0.637 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.109 -9.016 -0.456 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.047 -8.008 0.788 1.00 10.00 C ATOM 219 CD1 ILE A 34 1.588 -10.438 -0.238 1.00 10.00 C ATOM 0 H ILE A 34 -0.868 -8.913 0.972 1.00 10.00 H new ATOM 0 HA ILE A 34 1.538 -8.964 2.573 1.00 10.00 H new ATOM 0 HB ILE A 34 1.198 -7.028 0.322 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.021 -9.020 -0.522 1.00 10.00 H new ATOM 0 HG13 ILE A 34 1.485 -8.664 -1.417 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.508 -7.788 -0.175 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.336 -7.246 1.512 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.383 -8.985 1.136 1.00 10.00 H new ATOM 0 HD11 ILE A 34 1.241 -11.068 -1.057 1.00 10.00 H new ATOM 0 HD12 ILE A 34 2.677 -10.454 -0.205 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.191 -10.815 0.704 1.00 10.00 H new ATOM 231 N HIS A 35 1.370 -6.791 3.800 1.00 10.00 N ATOM 232 CA HIS A 35 1.232 -5.577 4.589 1.00 10.00 C ATOM 233 C HIS A 35 2.353 -4.605 4.247 1.00 10.00 C ATOM 234 O HIS A 35 3.470 -4.710 4.766 1.00 10.00 O ATOM 235 CB HIS A 35 1.242 -5.896 6.090 1.00 10.00 C ATOM 236 CG HIS A 35 -0.035 -6.515 6.592 1.00 10.00 C ATOM 237 ND1 HIS A 35 -0.406 -6.429 7.915 1.00 10.00 N ATOM 238 CD2 HIS A 35 -0.979 -7.216 5.916 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.558 -7.072 8.010 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.940 -7.564 6.827 1.00 10.00 N ATOM 0 H HIS A 35 2.084 -7.435 4.140 1.00 10.00 H new ATOM 0 HA HIS A 35 0.275 -5.115 4.348 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.070 -6.573 6.302 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.431 -4.977 6.645 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -0.974 -7.454 4.863 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -2.118 -7.185 8.926 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -2.788 -8.098 6.639 1.00 10.00 H new ATOM 248 N PHE A 36 2.056 -3.668 3.361 1.00 10.00 N ATOM 249 CA PHE A 36 3.035 -2.682 2.936 1.00 10.00 C ATOM 250 C PHE A 36 2.990 -1.462 3.846 1.00 10.00 C ATOM 251 O PHE A 36 2.026 -0.698 3.829 1.00 10.00 O ATOM 252 CB PHE A 36 2.777 -2.261 1.486 1.00 10.00 C ATOM 253 CG PHE A 36 4.028 -2.154 0.657 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.226 -1.751 1.227 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.007 -2.464 -0.694 1.00 10.00 C ATOM 256 CE1 PHE A 36 6.377 -1.659 0.466 1.00 10.00 C ATOM 257 CE2 PHE A 36 5.153 -2.372 -1.459 1.00 10.00 C ATOM 258 CZ PHE A 36 6.340 -1.970 -0.879 1.00 10.00 C ATOM 0 H PHE A 36 1.141 -3.570 2.921 1.00 10.00 H new ATOM 0 HA PHE A 36 4.025 -3.133 3.000 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.104 -2.982 1.022 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.265 -1.299 1.482 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.261 -1.506 2.278 1.00 10.00 H new ATOM 0 HD2 PHE A 36 3.083 -2.781 -1.154 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.304 -1.344 0.923 1.00 10.00 H new ATOM 0 HE2 PHE A 36 5.121 -2.614 -2.511 1.00 10.00 H new ATOM 0 HZ PHE A 36 7.237 -1.899 -1.476 1.00 10.00 H new ATOM 268 N LYS A 37 4.033 -1.292 4.645 1.00 10.00 N ATOM 269 CA LYS A 37 4.119 -0.166 5.558 1.00 10.00 C ATOM 270 C LYS A 37 4.794 1.018 4.876 1.00 10.00 C ATOM 271 O LYS A 37 6.021 1.145 4.892 1.00 10.00 O ATOM 272 CB LYS A 37 4.884 -0.575 6.820 1.00 10.00 C ATOM 273 CG LYS A 37 4.003 -0.643 8.057 1.00 10.00 C ATOM 274 CD LYS A 37 4.746 -1.216 9.253 1.00 10.00 C ATOM 275 CE LYS A 37 5.080 -2.688 9.061 1.00 10.00 C ATOM 276 NZ LYS A 37 5.516 -3.324 10.330 1.00 10.00 N ATOM 0 H LYS A 37 4.834 -1.923 4.678 1.00 10.00 H new ATOM 0 HA LYS A 37 3.112 0.137 5.845 1.00 10.00 H new ATOM 0 HB2 LYS A 37 5.347 -1.548 6.657 1.00 10.00 H new ATOM 0 HB3 LYS A 37 5.691 0.137 6.995 1.00 10.00 H new ATOM 0 HG2 LYS A 37 3.641 0.356 8.300 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.128 -1.257 7.846 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.665 -0.653 9.413 1.00 10.00 H new ATOM 0 HD3 LYS A 37 4.138 -1.096 10.150 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.206 -3.212 8.673 1.00 10.00 H new ATOM 0 HE3 LYS A 37 5.868 -2.788 8.315 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 5.735 -4.326 10.159 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 6.365 -2.840 10.687 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.754 -3.251 11.034 1.00 10.00 H new ATOM 290 N VAL A 38 3.983 1.871 4.267 1.00 10.00 N ATOM 291 CA VAL A 38 4.479 3.037 3.557 1.00 10.00 C ATOM 292 C VAL A 38 4.320 4.297 4.407 1.00 10.00 C ATOM 293 O VAL A 38 3.926 4.224 5.567 1.00 10.00 O ATOM 294 CB VAL A 38 3.746 3.217 2.206 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.729 1.907 1.433 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.325 3.728 2.408 1.00 10.00 C ATOM 0 H VAL A 38 2.968 1.774 4.252 1.00 10.00 H new ATOM 0 HA VAL A 38 5.539 2.878 3.359 1.00 10.00 H new ATOM 0 HB VAL A 38 4.292 3.963 1.628 1.00 10.00 H new ATOM 0 HG11 VAL A 38 3.210 2.050 0.485 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.752 1.585 1.241 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.213 1.146 2.018 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.839 3.843 1.439 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.765 3.015 3.013 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.354 4.692 2.917 1.00 10.00 H new ATOM 306 N LYS A 39 4.632 5.448 3.831 1.00 10.00 N ATOM 307 CA LYS A 39 4.516 6.711 4.540 1.00 10.00 C ATOM 308 C LYS A 39 3.852 7.752 3.644 1.00 10.00 C ATOM 309 O LYS A 39 4.076 7.766 2.432 1.00 10.00 O ATOM 310 CB LYS A 39 5.898 7.194 4.993 1.00 10.00 C ATOM 311 CG LYS A 39 5.860 8.480 5.805 1.00 10.00 C ATOM 312 CD LYS A 39 7.259 8.969 6.144 1.00 10.00 C ATOM 313 CE LYS A 39 7.244 10.408 6.629 1.00 10.00 C ATOM 314 NZ LYS A 39 8.610 10.988 6.667 1.00 10.00 N ATOM 0 H LYS A 39 4.968 5.532 2.872 1.00 10.00 H new ATOM 0 HA LYS A 39 3.896 6.565 5.425 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.369 6.412 5.589 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.525 7.347 4.115 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.331 9.250 5.244 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.299 8.314 6.725 1.00 10.00 H new ATOM 0 HD2 LYS A 39 7.693 8.329 6.913 1.00 10.00 H new ATOM 0 HD3 LYS A 39 7.897 8.887 5.264 1.00 10.00 H new ATOM 0 HE2 LYS A 39 6.612 11.007 5.973 1.00 10.00 H new ATOM 0 HE3 LYS A 39 6.802 10.452 7.624 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 8.550 12.023 6.582 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 9.067 10.741 7.568 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.171 10.607 5.878 1.00 10.00 H new ATOM 328 N MET A 40 3.035 8.613 4.240 1.00 10.00 N ATOM 329 CA MET A 40 2.336 9.655 3.493 1.00 10.00 C ATOM 330 C MET A 40 3.280 10.823 3.187 1.00 10.00 C ATOM 331 O MET A 40 3.064 11.956 3.625 1.00 10.00 O ATOM 332 CB MET A 40 1.110 10.141 4.276 1.00 10.00 C ATOM 333 CG MET A 40 0.225 11.110 3.504 1.00 10.00 C ATOM 334 SD MET A 40 -0.419 10.413 1.969 1.00 10.00 S ATOM 335 CE MET A 40 -1.653 9.277 2.604 1.00 10.00 C ATOM 0 H MET A 40 2.839 8.611 5.241 1.00 10.00 H new ATOM 0 HA MET A 40 1.996 9.234 2.547 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.514 9.277 4.571 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.446 10.624 5.193 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.609 11.413 4.136 1.00 10.00 H new ATOM 0 HG3 MET A 40 0.795 12.010 3.276 1.00 10.00 H new ATOM 0 HE1 MET A 40 -2.398 9.081 1.833 1.00 10.00 H new ATOM 0 HE2 MET A 40 -1.173 8.342 2.891 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.139 9.717 3.475 1.00 10.00 H new ATOM 345 N THR A 41 4.342 10.524 2.450 1.00 10.00 N ATOM 346 CA THR A 41 5.342 11.515 2.062 1.00 10.00 C ATOM 347 C THR A 41 6.154 10.988 0.883 1.00 10.00 C ATOM 348 O THR A 41 6.490 11.728 -0.043 1.00 10.00 O ATOM 349 CB THR A 41 6.307 11.850 3.227 1.00 10.00 C ATOM 350 OG1 THR A 41 5.571 12.208 4.404 1.00 10.00 O ATOM 351 CG2 THR A 41 7.241 12.991 2.854 1.00 10.00 C ATOM 0 H THR A 41 4.536 9.585 2.103 1.00 10.00 H new ATOM 0 HA THR A 41 4.811 12.426 1.786 1.00 10.00 H new ATOM 0 HB THR A 41 6.901 10.958 3.427 1.00 10.00 H new ATOM 0 HG1 THR A 41 4.662 12.474 4.153 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.907 13.204 3.690 1.00 10.00 H new ATOM 0 HG22 THR A 41 7.832 12.708 1.983 1.00 10.00 H new ATOM 0 HG23 THR A 41 6.655 13.880 2.621 1.00 10.00 H new ATOM 359 N THR A 42 6.446 9.697 0.924 1.00 10.00 N ATOM 360 CA THR A 42 7.220 9.047 -0.119 1.00 10.00 C ATOM 361 C THR A 42 6.395 8.841 -1.386 1.00 10.00 C ATOM 362 O THR A 42 5.167 8.745 -1.343 1.00 10.00 O ATOM 363 CB THR A 42 7.736 7.690 0.382 1.00 10.00 C ATOM 364 OG1 THR A 42 7.752 7.698 1.813 1.00 10.00 O ATOM 365 CG2 THR A 42 9.135 7.403 -0.148 1.00 10.00 C ATOM 0 H THR A 42 6.154 9.074 1.677 1.00 10.00 H new ATOM 0 HA THR A 42 8.060 9.697 -0.363 1.00 10.00 H new ATOM 0 HB THR A 42 7.072 6.906 0.018 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.007 8.589 2.132 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.474 6.436 0.224 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.115 7.386 -1.238 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.819 8.181 0.190 1.00 10.00 H new ATOM 373 N HIS A 43 7.088 8.781 -2.510 1.00 10.00 N ATOM 374 CA HIS A 43 6.460 8.573 -3.807 1.00 10.00 C ATOM 375 C HIS A 43 6.149 7.094 -4.005 1.00 10.00 C ATOM 376 O HIS A 43 6.847 6.231 -3.467 1.00 10.00 O ATOM 377 CB HIS A 43 7.381 9.074 -4.932 1.00 10.00 C ATOM 378 CG HIS A 43 8.844 8.923 -4.620 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.491 7.714 -4.745 1.00 10.00 N ATOM 380 CD2 HIS A 43 9.723 9.846 -4.161 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.737 7.934 -4.352 1.00 10.00 C ATOM 382 NE2 HIS A 43 10.923 9.209 -3.991 1.00 10.00 N ATOM 0 H HIS A 43 8.103 8.875 -2.551 1.00 10.00 H new ATOM 0 HA HIS A 43 5.529 9.138 -3.840 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.154 8.527 -5.847 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.165 10.125 -5.127 1.00 10.00 H new ATOM 0 HD2 HIS A 43 9.516 10.888 -3.966 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.507 7.178 -4.326 1.00 10.00 H new ATOM 0 HE2 HIS A 43 11.791 9.626 -3.654 1.00 10.00 H new ATOM 390 N LEU A 44 5.116 6.799 -4.787 1.00 10.00 N ATOM 391 CA LEU A 44 4.727 5.414 -5.038 1.00 10.00 C ATOM 392 C LEU A 44 5.738 4.725 -5.952 1.00 10.00 C ATOM 393 O LEU A 44 5.709 3.506 -6.116 1.00 10.00 O ATOM 394 CB LEU A 44 3.320 5.344 -5.639 1.00 10.00 C ATOM 395 CG LEU A 44 2.188 5.735 -4.681 1.00 10.00 C ATOM 396 CD1 LEU A 44 0.841 5.655 -5.378 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.196 4.847 -3.445 1.00 10.00 C ATOM 0 H LEU A 44 4.536 7.495 -5.256 1.00 10.00 H new ATOM 0 HA LEU A 44 4.716 4.888 -4.084 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.280 5.997 -6.511 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.142 4.329 -5.993 1.00 10.00 H new ATOM 0 HG LEU A 44 2.354 6.766 -4.367 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.053 5.936 -4.680 1.00 10.00 H new ATOM 0 HD12 LEU A 44 0.831 6.335 -6.230 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.671 4.636 -5.725 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.385 5.142 -2.780 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.061 3.807 -3.743 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.148 4.955 -2.926 1.00 10.00 H new ATOM 409 N LYS A 45 6.636 5.519 -6.526 1.00 10.00 N ATOM 410 CA LYS A 45 7.679 5.005 -7.407 1.00 10.00 C ATOM 411 C LYS A 45 8.555 4.007 -6.652 1.00 10.00 C ATOM 412 O LYS A 45 8.836 2.909 -7.141 1.00 10.00 O ATOM 413 CB LYS A 45 8.532 6.166 -7.938 1.00 10.00 C ATOM 414 CG LYS A 45 9.860 5.737 -8.547 1.00 10.00 C ATOM 415 CD LYS A 45 9.675 5.089 -9.906 1.00 10.00 C ATOM 416 CE LYS A 45 10.976 4.500 -10.421 1.00 10.00 C ATOM 417 NZ LYS A 45 10.866 4.080 -11.843 1.00 10.00 N ATOM 0 H LYS A 45 6.662 6.530 -6.395 1.00 10.00 H new ATOM 0 HA LYS A 45 7.215 4.495 -8.251 1.00 10.00 H new ATOM 0 HB2 LYS A 45 7.959 6.709 -8.690 1.00 10.00 H new ATOM 0 HB3 LYS A 45 8.727 6.862 -7.122 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.512 6.605 -8.644 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.358 5.037 -7.876 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.921 4.305 -9.837 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.303 5.828 -10.615 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.774 5.236 -10.320 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.254 3.642 -9.809 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.186 3.095 -11.940 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.875 4.154 -12.151 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 11.459 4.697 -12.434 1.00 10.00 H new ATOM 431 N LYS A 46 8.956 4.398 -5.446 1.00 10.00 N ATOM 432 CA LYS A 46 9.792 3.567 -4.594 1.00 10.00 C ATOM 433 C LYS A 46 9.067 2.275 -4.217 1.00 10.00 C ATOM 434 O LYS A 46 9.657 1.197 -4.221 1.00 10.00 O ATOM 435 CB LYS A 46 10.176 4.345 -3.328 1.00 10.00 C ATOM 436 CG LYS A 46 10.929 3.521 -2.296 1.00 10.00 C ATOM 437 CD LYS A 46 12.409 3.403 -2.632 1.00 10.00 C ATOM 438 CE LYS A 46 13.150 4.716 -2.408 1.00 10.00 C ATOM 439 NZ LYS A 46 13.214 5.092 -0.972 1.00 10.00 N ATOM 0 H LYS A 46 8.710 5.298 -5.035 1.00 10.00 H new ATOM 0 HA LYS A 46 10.696 3.303 -5.143 1.00 10.00 H new ATOM 0 HB2 LYS A 46 10.790 5.200 -3.612 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.270 4.741 -2.870 1.00 10.00 H new ATOM 0 HG2 LYS A 46 10.815 3.979 -1.313 1.00 10.00 H new ATOM 0 HG3 LYS A 46 10.490 2.525 -2.236 1.00 10.00 H new ATOM 0 HD2 LYS A 46 12.859 2.623 -2.018 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.522 3.095 -3.672 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.162 4.631 -2.804 1.00 10.00 H new ATOM 0 HE3 LYS A 46 12.654 5.510 -2.967 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 12.919 6.083 -0.859 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.579 4.477 -0.424 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 14.189 4.979 -0.627 1.00 10.00 H new ATOM 453 N LEU A 47 7.777 2.387 -3.918 1.00 10.00 N ATOM 454 CA LEU A 47 6.976 1.232 -3.520 1.00 10.00 C ATOM 455 C LEU A 47 6.839 0.217 -4.651 1.00 10.00 C ATOM 456 O LEU A 47 6.937 -0.991 -4.426 1.00 10.00 O ATOM 457 CB LEU A 47 5.579 1.670 -3.053 1.00 10.00 C ATOM 458 CG LEU A 47 5.509 2.324 -1.664 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.508 1.690 -0.718 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.734 3.824 -1.751 1.00 10.00 C ATOM 0 H LEU A 47 7.262 3.267 -3.943 1.00 10.00 H new ATOM 0 HA LEU A 47 7.501 0.754 -2.693 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.176 2.371 -3.784 1.00 10.00 H new ATOM 0 HB3 LEU A 47 4.926 0.797 -3.055 1.00 10.00 H new ATOM 0 HG LEU A 47 4.507 2.156 -1.269 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.440 2.170 0.258 1.00 10.00 H new ATOM 0 HD12 LEU A 47 6.289 0.627 -0.616 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.515 1.816 -1.114 1.00 10.00 H new ATOM 0 HD21 LEU A 47 5.679 4.259 -0.753 1.00 10.00 H new ATOM 0 HD22 LEU A 47 6.717 4.020 -2.178 1.00 10.00 H new ATOM 0 HD23 LEU A 47 4.968 4.271 -2.384 1.00 10.00 H new ATOM 472 N LYS A 48 6.627 0.713 -5.863 1.00 10.00 N ATOM 473 CA LYS A 48 6.457 -0.151 -7.025 1.00 10.00 C ATOM 474 C LYS A 48 7.668 -1.050 -7.251 1.00 10.00 C ATOM 475 O LYS A 48 7.519 -2.259 -7.441 1.00 10.00 O ATOM 476 CB LYS A 48 6.189 0.686 -8.278 1.00 10.00 C ATOM 477 CG LYS A 48 4.825 1.357 -8.280 1.00 10.00 C ATOM 478 CD LYS A 48 4.546 2.056 -9.600 1.00 10.00 C ATOM 479 CE LYS A 48 4.231 1.059 -10.704 1.00 10.00 C ATOM 480 NZ LYS A 48 3.961 1.734 -11.998 1.00 10.00 N ATOM 0 H LYS A 48 6.569 1.711 -6.068 1.00 10.00 H new ATOM 0 HA LYS A 48 5.599 -0.793 -6.827 1.00 10.00 H new ATOM 0 HB2 LYS A 48 6.961 1.450 -8.366 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.272 0.046 -9.157 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.052 0.612 -8.092 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.774 2.081 -7.467 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.708 2.743 -9.479 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.411 2.655 -9.885 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.068 0.371 -10.821 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.365 0.462 -10.418 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.069 1.051 -12.775 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 2.991 2.109 -11.998 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.634 2.516 -12.129 1.00 10.00 H new ATOM 494 N GLU A 49 8.866 -0.474 -7.210 1.00 10.00 N ATOM 495 CA GLU A 49 10.078 -1.257 -7.433 1.00 10.00 C ATOM 496 C GLU A 49 10.413 -2.132 -6.229 1.00 10.00 C ATOM 497 O GLU A 49 10.845 -3.273 -6.395 1.00 10.00 O ATOM 498 CB GLU A 49 11.265 -0.359 -7.791 1.00 10.00 C ATOM 499 CG GLU A 49 11.607 0.695 -6.748 1.00 10.00 C ATOM 500 CD GLU A 49 12.931 1.367 -7.038 1.00 10.00 C ATOM 501 OE1 GLU A 49 13.616 1.786 -6.081 1.00 10.00 O ATOM 502 OE2 GLU A 49 13.298 1.467 -8.227 1.00 10.00 O ATOM 0 H GLU A 49 9.023 0.517 -7.027 1.00 10.00 H new ATOM 0 HA GLU A 49 9.881 -1.914 -8.280 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.141 -0.987 -7.953 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.052 0.141 -8.736 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.818 1.446 -6.718 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.643 0.232 -5.762 1.00 10.00 H new ATOM 509 N SER A 50 10.197 -1.607 -5.025 1.00 10.00 N ATOM 510 CA SER A 50 10.483 -2.358 -3.807 1.00 10.00 C ATOM 511 C SER A 50 9.668 -3.647 -3.763 1.00 10.00 C ATOM 512 O SER A 50 10.132 -4.673 -3.258 1.00 10.00 O ATOM 513 CB SER A 50 10.198 -1.504 -2.573 1.00 10.00 C ATOM 514 OG SER A 50 11.022 -0.348 -2.560 1.00 10.00 O ATOM 0 H SER A 50 9.827 -0.670 -4.868 1.00 10.00 H new ATOM 0 HA SER A 50 11.541 -2.622 -3.809 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.149 -1.209 -2.564 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.372 -2.091 -1.671 1.00 10.00 H new ATOM 0 HG SER A 50 10.561 0.387 -3.016 1.00 10.00 H new ATOM 520 N TYR A 51 8.456 -3.596 -4.302 1.00 10.00 N ATOM 521 CA TYR A 51 7.598 -4.770 -4.337 1.00 10.00 C ATOM 522 C TYR A 51 8.160 -5.796 -5.316 1.00 10.00 C ATOM 523 O TYR A 51 8.170 -6.993 -5.035 1.00 10.00 O ATOM 524 CB TYR A 51 6.170 -4.396 -4.732 1.00 10.00 C ATOM 525 CG TYR A 51 5.160 -5.476 -4.420 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.566 -5.557 -3.166 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.804 -6.422 -5.375 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.650 -6.549 -2.875 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.887 -7.413 -5.090 1.00 10.00 C ATOM 530 CZ TYR A 51 3.313 -7.473 -3.839 1.00 10.00 C ATOM 531 OH TYR A 51 2.405 -8.463 -3.549 1.00 10.00 O ATOM 0 H TYR A 51 8.048 -2.759 -4.718 1.00 10.00 H new ATOM 0 HA TYR A 51 7.571 -5.203 -3.337 1.00 10.00 H new ATOM 0 HB2 TYR A 51 5.885 -3.481 -4.213 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.141 -4.179 -5.800 1.00 10.00 H new ATOM 0 HD1 TYR A 51 4.825 -4.833 -2.407 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.253 -6.380 -6.356 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.200 -6.600 -1.895 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.620 -8.138 -5.844 1.00 10.00 H new ATOM 0 HH TYR A 51 1.512 -8.070 -3.453 1.00 10.00 H new ATOM 541 N CYS A 52 8.633 -5.318 -6.466 1.00 10.00 N ATOM 542 CA CYS A 52 9.207 -6.198 -7.476 1.00 10.00 C ATOM 543 C CYS A 52 10.439 -6.903 -6.913 1.00 10.00 C ATOM 544 O CYS A 52 10.608 -8.112 -7.090 1.00 10.00 O ATOM 545 CB CYS A 52 9.566 -5.404 -8.735 1.00 10.00 C ATOM 546 SG CYS A 52 8.153 -4.586 -9.523 1.00 10.00 S ATOM 0 H CYS A 52 8.629 -4.330 -6.719 1.00 10.00 H new ATOM 0 HA CYS A 52 8.468 -6.952 -7.749 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.310 -4.651 -8.476 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.031 -6.077 -9.456 1.00 10.00 H new ATOM 0 HG CYS A 52 7.747 -3.604 -8.774 1.00 10.00 H new ATOM 552 N GLN A 53 11.276 -6.146 -6.207 1.00 10.00 N ATOM 553 CA GLN A 53 12.485 -6.692 -5.597 1.00 10.00 C ATOM 554 C GLN A 53 12.119 -7.735 -4.546 1.00 10.00 C ATOM 555 O GLN A 53 12.808 -8.744 -4.380 1.00 10.00 O ATOM 556 CB GLN A 53 13.301 -5.574 -4.951 1.00 10.00 C ATOM 557 CG GLN A 53 13.696 -4.467 -5.916 1.00 10.00 C ATOM 558 CD GLN A 53 14.183 -3.218 -5.206 1.00 10.00 C ATOM 559 OE1 GLN A 53 13.787 -2.934 -4.076 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.037 -2.460 -5.873 1.00 10.00 N ATOM 0 H GLN A 53 11.138 -5.149 -6.043 1.00 10.00 H new ATOM 0 HA GLN A 53 13.083 -7.165 -6.375 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.724 -5.142 -4.133 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.203 -6.001 -4.514 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.480 -4.832 -6.580 1.00 10.00 H new ATOM 0 HG3 GLN A 53 12.840 -4.214 -6.542 1.00 10.00 H new ATOM 0 HE21 GLN A 53 15.339 -2.733 -6.808 1.00 10.00 H new ATOM 0 HE22 GLN A 53 15.394 -1.602 -5.452 1.00 10.00 H new ATOM 569 N ARG A 54 11.025 -7.480 -3.838 1.00 10.00 N ATOM 570 CA ARG A 54 10.540 -8.388 -2.810 1.00 10.00 C ATOM 571 C ARG A 54 10.100 -9.709 -3.432 1.00 10.00 C ATOM 572 O ARG A 54 10.355 -10.782 -2.884 1.00 10.00 O ATOM 573 CB ARG A 54 9.368 -7.748 -2.066 1.00 10.00 C ATOM 574 CG ARG A 54 8.935 -8.506 -0.824 1.00 10.00 C ATOM 575 CD ARG A 54 9.842 -8.201 0.356 1.00 10.00 C ATOM 576 NE ARG A 54 9.190 -8.488 1.630 1.00 10.00 N ATOM 577 CZ ARG A 54 9.567 -7.964 2.793 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.562 -7.081 2.846 1.00 10.00 N ATOM 579 NH2 ARG A 54 8.929 -8.311 3.901 1.00 10.00 N ATOM 0 H ARG A 54 10.454 -6.644 -3.960 1.00 10.00 H new ATOM 0 HA ARG A 54 11.349 -8.586 -2.107 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.643 -6.732 -1.781 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.519 -7.670 -2.745 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.908 -8.241 -0.574 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.947 -9.577 -1.027 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.755 -8.790 0.274 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.136 -7.152 0.327 1.00 10.00 H new ATOM 0 HE ARG A 54 8.397 -9.129 1.628 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.042 -6.801 1.990 1.00 10.00 H new ATOM 0 HH12 ARG A 54 10.845 -6.684 3.742 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.156 -8.975 3.858 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.211 -7.914 4.797 1.00 10.00 H new ATOM 593 N GLN A 55 9.443 -9.622 -4.584 1.00 10.00 N ATOM 594 CA GLN A 55 8.966 -10.806 -5.288 1.00 10.00 C ATOM 595 C GLN A 55 10.109 -11.500 -6.026 1.00 10.00 C ATOM 596 O GLN A 55 10.033 -12.693 -6.328 1.00 10.00 O ATOM 597 CB GLN A 55 7.861 -10.432 -6.276 1.00 10.00 C ATOM 598 CG GLN A 55 6.551 -10.033 -5.610 1.00 10.00 C ATOM 599 CD GLN A 55 5.918 -11.163 -4.813 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.127 -12.396 -5.253 1.00 10.00 O flip ATOM 601 NE2 GLN A 55 5.231 -10.925 -3.823 1.00 10.00 N flip ATOM 0 H GLN A 55 9.228 -8.741 -5.051 1.00 10.00 H new ATOM 0 HA GLN A 55 8.562 -11.496 -4.547 1.00 10.00 H new ATOM 0 HB2 GLN A 55 8.207 -9.607 -6.899 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.678 -11.277 -6.939 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.730 -9.186 -4.948 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.849 -9.698 -6.374 1.00 10.00 H new ATOM 0 HE21 GLN A 55 5.094 -9.962 -3.517 1.00 10.00 H new ATOM 0 HE22 GLN A 55 4.797 -11.691 -3.307 1.00 10.00 H new ATOM 610 N GLY A 56 11.159 -10.747 -6.316 1.00 10.00 N ATOM 611 CA GLY A 56 12.308 -11.298 -7.009 1.00 10.00 C ATOM 612 C GLY A 56 12.177 -11.193 -8.513 1.00 10.00 C ATOM 613 O GLY A 56 12.783 -11.967 -9.254 1.00 10.00 O ATOM 0 H GLY A 56 11.237 -9.757 -6.082 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.209 -10.775 -6.688 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.431 -12.344 -6.729 1.00 10.00 H new ATOM 617 N VAL A 57 11.388 -10.230 -8.966 1.00 10.00 N ATOM 618 CA VAL A 57 11.166 -10.023 -10.389 1.00 10.00 C ATOM 619 C VAL A 57 11.523 -8.593 -10.780 1.00 10.00 C ATOM 620 O VAL A 57 11.497 -7.695 -9.939 1.00 10.00 O ATOM 621 CB VAL A 57 9.695 -10.309 -10.777 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.403 -11.800 -10.722 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.739 -9.545 -9.873 1.00 10.00 C ATOM 0 H VAL A 57 10.888 -9.576 -8.364 1.00 10.00 H new ATOM 0 HA VAL A 57 11.809 -10.720 -10.926 1.00 10.00 H new ATOM 0 HB VAL A 57 9.544 -9.967 -11.801 1.00 10.00 H new ATOM 0 HG11 VAL A 57 8.364 -11.978 -10.998 1.00 10.00 H new ATOM 0 HG12 VAL A 57 10.058 -12.325 -11.417 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.578 -12.168 -9.711 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.711 -9.762 -10.164 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.895 -9.850 -8.838 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.925 -8.475 -9.968 1.00 10.00 H new ATOM 633 N PRO A 58 11.884 -8.363 -12.054 1.00 10.00 N ATOM 634 CA PRO A 58 12.233 -7.024 -12.545 1.00 10.00 C ATOM 635 C PRO A 58 11.062 -6.053 -12.411 1.00 10.00 C ATOM 636 O PRO A 58 9.904 -6.466 -12.423 1.00 10.00 O ATOM 637 CB PRO A 58 12.570 -7.255 -14.025 1.00 10.00 C ATOM 638 CG PRO A 58 11.948 -8.564 -14.367 1.00 10.00 C ATOM 639 CD PRO A 58 11.997 -9.382 -13.111 1.00 10.00 C ATOM 0 HA PRO A 58 13.052 -6.579 -11.980 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.172 -6.455 -14.649 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.648 -7.278 -14.185 1.00 10.00 H new ATOM 0 HG2 PRO A 58 10.921 -8.432 -14.707 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.491 -9.055 -15.175 1.00 10.00 H new ATOM 0 HD2 PRO A 58 11.181 -10.104 -13.066 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.926 -9.946 -13.032 1.00 10.00 H new ATOM 647 N MET A 59 11.356 -4.769 -12.284 1.00 10.00 N ATOM 648 CA MET A 59 10.309 -3.764 -12.143 1.00 10.00 C ATOM 649 C MET A 59 9.469 -3.670 -13.416 1.00 10.00 C ATOM 650 O MET A 59 9.957 -3.985 -14.503 1.00 10.00 O ATOM 651 CB MET A 59 10.914 -2.397 -11.817 1.00 10.00 C ATOM 652 CG MET A 59 9.885 -1.363 -11.393 1.00 10.00 C ATOM 653 SD MET A 59 10.564 0.302 -11.283 1.00 10.00 S ATOM 654 CE MET A 59 9.172 1.167 -10.558 1.00 10.00 C ATOM 0 H MET A 59 12.306 -4.397 -12.275 1.00 10.00 H new ATOM 0 HA MET A 59 9.662 -4.069 -11.320 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.649 -2.515 -11.020 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.449 -2.028 -12.692 1.00 10.00 H new ATOM 0 HG2 MET A 59 9.060 -1.367 -12.105 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.472 -1.646 -10.425 1.00 10.00 H new ATOM 0 HE1 MET A 59 9.494 2.149 -10.211 1.00 10.00 H new ATOM 0 HE2 MET A 59 8.388 1.286 -11.306 1.00 10.00 H new ATOM 0 HE3 MET A 59 8.786 0.593 -9.716 1.00 10.00 H new ATOM 664 N ASN A 60 8.203 -3.260 -13.249 1.00 10.00 N ATOM 665 CA ASN A 60 7.246 -3.088 -14.354 1.00 10.00 C ATOM 666 C ASN A 60 6.594 -4.415 -14.749 1.00 10.00 C ATOM 667 O ASN A 60 5.705 -4.450 -15.597 1.00 10.00 O ATOM 668 CB ASN A 60 7.909 -2.424 -15.574 1.00 10.00 C ATOM 669 CG ASN A 60 6.922 -1.697 -16.471 1.00 10.00 C ATOM 670 OD1 ASN A 60 6.641 -0.514 -16.274 1.00 10.00 O ATOM 671 ND2 ASN A 60 6.408 -2.388 -17.475 1.00 10.00 N ATOM 0 H ASN A 60 7.810 -3.036 -12.335 1.00 10.00 H new ATOM 0 HA ASN A 60 6.460 -2.425 -13.994 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.664 -1.718 -15.229 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.427 -3.186 -16.157 1.00 10.00 H new ATOM 0 HD21 ASN A 60 5.754 -1.942 -18.119 1.00 10.00 H new ATOM 0 HD22 ASN A 60 6.665 -3.366 -17.605 1.00 10.00 H new ATOM 678 N SER A 61 7.021 -5.506 -14.123 1.00 10.00 N ATOM 679 CA SER A 61 6.452 -6.814 -14.422 1.00 10.00 C ATOM 680 C SER A 61 5.109 -6.982 -13.716 1.00 10.00 C ATOM 681 O SER A 61 4.254 -7.757 -14.147 1.00 10.00 O ATOM 682 CB SER A 61 7.413 -7.924 -13.991 1.00 10.00 C ATOM 683 OG SER A 61 7.720 -7.821 -12.610 1.00 10.00 O ATOM 0 H SER A 61 7.752 -5.511 -13.412 1.00 10.00 H new ATOM 0 HA SER A 61 6.295 -6.884 -15.498 1.00 10.00 H new ATOM 0 HB2 SER A 61 6.967 -8.897 -14.197 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.330 -7.864 -14.577 1.00 10.00 H new ATOM 0 HG SER A 61 8.272 -7.026 -12.456 1.00 10.00 H new ATOM 689 N LEU A 62 4.932 -6.238 -12.634 1.00 10.00 N ATOM 690 CA LEU A 62 3.708 -6.293 -11.854 1.00 10.00 C ATOM 691 C LEU A 62 3.018 -4.938 -11.867 1.00 10.00 C ATOM 692 O LEU A 62 3.652 -3.907 -11.636 1.00 10.00 O ATOM 693 CB LEU A 62 4.016 -6.703 -10.412 1.00 10.00 C ATOM 694 CG LEU A 62 4.800 -8.008 -10.251 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.310 -8.145 -8.824 1.00 10.00 C ATOM 696 CD2 LEU A 62 3.939 -9.205 -10.627 1.00 10.00 C ATOM 0 H LEU A 62 5.628 -5.584 -12.275 1.00 10.00 H new ATOM 0 HA LEU A 62 3.045 -7.035 -12.299 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.580 -5.900 -9.937 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.075 -6.796 -9.870 1.00 10.00 H new ATOM 0 HG LEU A 62 5.656 -7.980 -10.926 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.866 -9.077 -8.724 1.00 10.00 H new ATOM 0 HD12 LEU A 62 5.965 -7.306 -8.589 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.466 -8.150 -8.135 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.517 -10.121 -10.505 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.062 -9.240 -9.980 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.621 -9.112 -11.665 1.00 10.00 H new ATOM 708 N ARG A 63 1.726 -4.942 -12.147 1.00 10.00 N ATOM 709 CA ARG A 63 0.954 -3.714 -12.180 1.00 10.00 C ATOM 710 C ARG A 63 0.097 -3.595 -10.929 1.00 10.00 C ATOM 711 O ARG A 63 -0.493 -4.574 -10.473 1.00 10.00 O ATOM 712 CB ARG A 63 0.066 -3.653 -13.430 1.00 10.00 C ATOM 713 CG ARG A 63 -0.969 -4.766 -13.509 1.00 10.00 C ATOM 714 CD ARG A 63 -1.906 -4.578 -14.689 1.00 10.00 C ATOM 715 NE ARG A 63 -2.984 -5.566 -14.699 1.00 10.00 N ATOM 716 CZ ARG A 63 -3.131 -6.511 -15.629 1.00 10.00 C ATOM 717 NH1 ARG A 63 -2.260 -6.625 -16.629 1.00 10.00 N ATOM 718 NH2 ARG A 63 -4.152 -7.357 -15.557 1.00 10.00 N ATOM 0 H ARG A 63 1.190 -5.784 -12.355 1.00 10.00 H new ATOM 0 HA ARG A 63 1.653 -2.879 -12.215 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.447 -2.692 -13.452 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.700 -3.697 -14.316 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.463 -5.728 -13.595 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.547 -4.792 -12.585 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.334 -3.576 -14.656 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.339 -4.652 -15.617 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.669 -5.530 -13.944 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.468 -5.985 -16.691 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -2.384 -7.352 -17.333 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.822 -7.284 -14.792 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -4.266 -8.080 -16.267 1.00 10.00 H new ATOM 732 N PHE A 64 0.039 -2.397 -10.375 1.00 10.00 N ATOM 733 CA PHE A 64 -0.752 -2.141 -9.183 1.00 10.00 C ATOM 734 C PHE A 64 -2.065 -1.486 -9.565 1.00 10.00 C ATOM 735 O PHE A 64 -2.078 -0.480 -10.277 1.00 10.00 O ATOM 736 CB PHE A 64 0.019 -1.249 -8.211 1.00 10.00 C ATOM 737 CG PHE A 64 1.144 -1.959 -7.518 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.442 -1.861 -7.994 1.00 10.00 C ATOM 739 CD2 PHE A 64 0.900 -2.729 -6.394 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.474 -2.521 -7.357 1.00 10.00 C ATOM 741 CE2 PHE A 64 1.929 -3.389 -5.754 1.00 10.00 C ATOM 742 CZ PHE A 64 3.216 -3.284 -6.237 1.00 10.00 C ATOM 0 H PHE A 64 0.534 -1.580 -10.734 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.959 -3.091 -8.690 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.419 -0.393 -8.754 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.670 -0.858 -7.463 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.648 -1.264 -8.870 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -0.107 -2.814 -6.014 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.482 -2.440 -7.735 1.00 10.00 H new ATOM 0 HE2 PHE A 64 1.727 -3.986 -4.877 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.023 -3.800 -5.738 1.00 10.00 H new ATOM 752 N LEU A 65 -3.162 -2.058 -9.106 1.00 10.00 N ATOM 753 CA LEU A 65 -4.480 -1.530 -9.412 1.00 10.00 C ATOM 754 C LEU A 65 -5.147 -0.965 -8.163 1.00 10.00 C ATOM 755 O LEU A 65 -5.411 -1.693 -7.203 1.00 10.00 O ATOM 756 CB LEU A 65 -5.360 -2.622 -10.030 1.00 10.00 C ATOM 757 CG LEU A 65 -4.837 -3.218 -11.338 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.698 -4.396 -11.771 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.800 -2.161 -12.429 1.00 10.00 C ATOM 0 H LEU A 65 -3.167 -2.891 -8.518 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.360 -0.720 -10.132 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.476 -3.427 -9.304 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.352 -2.208 -10.209 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.821 -3.576 -11.169 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.310 -4.807 -12.703 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.677 -5.165 -10.999 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.724 -4.061 -11.921 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.425 -2.604 -13.352 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.805 -1.774 -12.594 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -4.143 -1.346 -12.124 1.00 10.00 H new ATOM 771 N PHE A 66 -5.407 0.332 -8.188 1.00 10.00 N ATOM 772 CA PHE A 66 -6.053 1.020 -7.082 1.00 10.00 C ATOM 773 C PHE A 66 -7.383 1.591 -7.553 1.00 10.00 C ATOM 774 O PHE A 66 -7.412 2.555 -8.322 1.00 10.00 O ATOM 775 CB PHE A 66 -5.151 2.141 -6.552 1.00 10.00 C ATOM 776 CG PHE A 66 -5.645 2.771 -5.280 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.372 2.189 -4.053 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.379 3.951 -5.312 1.00 10.00 C ATOM 779 CE1 PHE A 66 -5.820 2.769 -2.882 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.830 4.532 -4.145 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.552 3.941 -2.928 1.00 10.00 C ATOM 0 H PHE A 66 -5.176 0.938 -8.976 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.230 0.312 -6.272 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.152 1.740 -6.383 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -5.060 2.913 -7.316 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -4.803 1.272 -4.011 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.599 4.418 -6.261 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -5.599 2.307 -1.931 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -7.400 5.448 -4.183 1.00 10.00 H new ATOM 0 HZ PHE A 66 -6.906 4.394 -2.014 1.00 10.00 H new ATOM 791 N GLU A 67 -8.476 0.974 -7.115 1.00 10.00 N ATOM 792 CA GLU A 67 -9.821 1.404 -7.494 1.00 10.00 C ATOM 793 C GLU A 67 -10.005 1.356 -9.011 1.00 10.00 C ATOM 794 O GLU A 67 -10.702 2.188 -9.594 1.00 10.00 O ATOM 795 CB GLU A 67 -10.114 2.814 -6.964 1.00 10.00 C ATOM 796 CG GLU A 67 -10.748 2.824 -5.578 1.00 10.00 C ATOM 797 CD GLU A 67 -12.212 2.426 -5.597 1.00 10.00 C ATOM 798 OE1 GLU A 67 -12.582 1.520 -6.373 1.00 10.00 O ATOM 799 OE2 GLU A 67 -13.007 3.016 -4.837 1.00 10.00 O ATOM 0 H GLU A 67 -8.457 0.167 -6.491 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.531 0.712 -7.042 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -9.184 3.382 -6.934 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.777 3.325 -7.662 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -10.200 2.142 -4.928 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -10.653 3.821 -5.147 1.00 10.00 H new ATOM 806 N GLY A 68 -9.363 0.378 -9.642 1.00 10.00 N ATOM 807 CA GLY A 68 -9.464 0.217 -11.083 1.00 10.00 C ATOM 808 C GLY A 68 -8.452 1.051 -11.848 1.00 10.00 C ATOM 809 O GLY A 68 -8.380 0.974 -13.076 1.00 10.00 O ATOM 0 H GLY A 68 -8.771 -0.311 -9.178 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.325 -0.834 -11.336 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.469 0.492 -11.404 1.00 10.00 H new ATOM 813 N GLN A 69 -7.670 1.847 -11.134 1.00 10.00 N ATOM 814 CA GLN A 69 -6.666 2.693 -11.765 1.00 10.00 C ATOM 815 C GLN A 69 -5.270 2.141 -11.514 1.00 10.00 C ATOM 816 O GLN A 69 -4.906 1.848 -10.374 1.00 10.00 O ATOM 817 CB GLN A 69 -6.775 4.124 -11.239 1.00 10.00 C ATOM 818 CG GLN A 69 -8.104 4.785 -11.564 1.00 10.00 C ATOM 819 CD GLN A 69 -8.343 6.045 -10.758 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.997 7.146 -11.186 1.00 10.00 O ATOM 821 NE2 GLN A 69 -8.932 5.889 -9.584 1.00 10.00 N ATOM 0 H GLN A 69 -7.711 1.925 -10.118 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.845 2.701 -12.840 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.635 4.118 -10.158 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.967 4.721 -11.662 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.135 5.027 -12.626 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.912 4.079 -11.375 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.202 4.957 -9.269 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -9.116 6.700 -8.994 1.00 10.00 H new ATOM 830 N ARG A 70 -4.502 1.980 -12.581 1.00 10.00 N ATOM 831 CA ARG A 70 -3.148 1.464 -12.462 1.00 10.00 C ATOM 832 C ARG A 70 -2.208 2.544 -11.931 1.00 10.00 C ATOM 833 O ARG A 70 -2.148 3.655 -12.465 1.00 10.00 O ATOM 834 CB ARG A 70 -2.645 0.914 -13.804 1.00 10.00 C ATOM 835 CG ARG A 70 -2.577 1.944 -14.919 1.00 10.00 C ATOM 836 CD ARG A 70 -2.019 1.342 -16.199 1.00 10.00 C ATOM 837 NE ARG A 70 -0.673 0.797 -16.009 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.274 -0.394 -16.469 1.00 10.00 C ATOM 839 NH1 ARG A 70 -1.099 -1.149 -17.184 1.00 10.00 N ATOM 840 NH2 ARG A 70 0.955 -0.825 -16.229 1.00 10.00 N ATOM 0 H ARG A 70 -4.792 2.198 -13.534 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.162 0.639 -11.749 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.652 0.488 -13.659 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -3.299 0.100 -14.117 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.573 2.344 -15.108 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.952 2.780 -14.606 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.684 0.552 -16.548 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -1.995 2.105 -16.977 1.00 10.00 H new ATOM 0 HE ARG A 70 0.003 1.361 -15.494 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.044 -0.822 -17.386 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -0.788 -2.056 -17.532 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.602 -0.248 -15.691 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.255 -1.734 -16.582 1.00 10.00 H new ATOM 854 N ILE A 71 -1.496 2.209 -10.864 1.00 10.00 N ATOM 855 CA ILE A 71 -0.556 3.128 -10.236 1.00 10.00 C ATOM 856 C ILE A 71 0.622 3.418 -11.159 1.00 10.00 C ATOM 857 O ILE A 71 1.320 2.504 -11.607 1.00 10.00 O ATOM 858 CB ILE A 71 -0.029 2.566 -8.896 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.184 2.356 -7.912 1.00 10.00 C ATOM 860 CG2 ILE A 71 1.022 3.490 -8.295 1.00 10.00 C ATOM 861 CD1 ILE A 71 -1.941 3.625 -7.573 1.00 10.00 C ATOM 0 H ILE A 71 -1.553 1.297 -10.411 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.096 4.055 -10.041 1.00 10.00 H new ATOM 0 HB ILE A 71 0.440 1.602 -9.093 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.880 1.631 -8.334 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.791 1.923 -6.992 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.377 3.073 -7.353 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.859 3.588 -8.987 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.583 4.471 -8.115 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.743 3.394 -6.872 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.259 4.345 -7.121 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.366 4.049 -8.483 1.00 10.00 H new ATOM 873 N ALA A 72 0.832 4.693 -11.436 1.00 10.00 N ATOM 874 CA ALA A 72 1.915 5.123 -12.300 1.00 10.00 C ATOM 875 C ALA A 72 3.210 5.262 -11.514 1.00 10.00 C ATOM 876 O ALA A 72 3.216 5.204 -10.284 1.00 10.00 O ATOM 877 CB ALA A 72 1.564 6.439 -12.973 1.00 10.00 C ATOM 0 H ALA A 72 0.260 5.454 -11.071 1.00 10.00 H new ATOM 0 HA ALA A 72 2.060 4.364 -13.069 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.386 6.749 -13.618 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.662 6.312 -13.571 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.392 7.202 -12.213 1.00 10.00 H new ATOM 883 N ASP A 73 4.304 5.467 -12.231 1.00 10.00 N ATOM 884 CA ASP A 73 5.621 5.612 -11.613 1.00 10.00 C ATOM 885 C ASP A 73 5.832 7.029 -11.095 1.00 10.00 C ATOM 886 O ASP A 73 6.917 7.377 -10.635 1.00 10.00 O ATOM 887 CB ASP A 73 6.723 5.264 -12.615 1.00 10.00 C ATOM 888 CG ASP A 73 7.130 3.806 -12.561 1.00 10.00 C ATOM 889 OD1 ASP A 73 6.238 2.935 -12.600 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.347 3.529 -12.495 1.00 10.00 O ATOM 0 H ASP A 73 4.309 5.538 -13.249 1.00 10.00 H new ATOM 0 HA ASP A 73 5.669 4.923 -10.770 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.380 5.503 -13.622 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.596 5.887 -12.419 1.00 10.00 H new ATOM 895 N ASN A 74 4.788 7.842 -11.176 1.00 10.00 N ATOM 896 CA ASN A 74 4.854 9.227 -10.722 1.00 10.00 C ATOM 897 C ASN A 74 3.678 9.551 -9.806 1.00 10.00 C ATOM 898 O ASN A 74 3.359 10.717 -9.577 1.00 10.00 O ATOM 899 CB ASN A 74 4.861 10.183 -11.924 1.00 10.00 C ATOM 900 CG ASN A 74 3.563 10.139 -12.715 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.353 9.243 -13.535 1.00 10.00 O ATOM 902 ND2 ASN A 74 2.690 11.108 -12.483 1.00 10.00 N ATOM 0 H ASN A 74 3.881 7.566 -11.553 1.00 10.00 H new ATOM 0 HA ASN A 74 5.779 9.357 -10.160 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.034 11.200 -11.573 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.692 9.927 -12.582 1.00 10.00 H new ATOM 0 HD21 ASN A 74 1.806 11.131 -12.992 1.00 10.00 H new ATOM 0 HD22 ASN A 74 2.902 11.831 -11.796 1.00 10.00 H new ATOM 909 N HIS A 75 3.042 8.518 -9.280 1.00 10.00 N ATOM 910 CA HIS A 75 1.899 8.708 -8.399 1.00 10.00 C ATOM 911 C HIS A 75 2.341 8.841 -6.948 1.00 10.00 C ATOM 912 O HIS A 75 3.446 8.431 -6.578 1.00 10.00 O ATOM 913 CB HIS A 75 0.909 7.550 -8.539 1.00 10.00 C ATOM 914 CG HIS A 75 -0.044 7.695 -9.688 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.808 6.636 -10.121 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.335 8.785 -10.442 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.543 7.100 -11.115 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.289 8.393 -11.347 1.00 10.00 N ATOM 0 H HIS A 75 3.295 7.544 -9.445 1.00 10.00 H new ATOM 0 HA HIS A 75 1.404 9.633 -8.695 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.467 6.621 -8.659 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.337 7.461 -7.615 1.00 10.00 H new ATOM 0 HD2 HIS A 75 0.100 9.769 -10.348 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.258 6.511 -11.670 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -1.723 8.977 -12.062 1.00 10.00 H new ATOM 926 N THR A 76 1.475 9.423 -6.139 1.00 10.00 N ATOM 927 CA THR A 76 1.739 9.621 -4.725 1.00 10.00 C ATOM 928 C THR A 76 0.545 9.147 -3.897 1.00 10.00 C ATOM 929 O THR A 76 -0.581 9.143 -4.389 1.00 10.00 O ATOM 930 CB THR A 76 2.016 11.108 -4.425 1.00 10.00 C ATOM 931 OG1 THR A 76 1.373 11.935 -5.408 1.00 10.00 O ATOM 932 CG2 THR A 76 3.510 11.398 -4.414 1.00 10.00 C ATOM 0 H THR A 76 0.567 9.773 -6.444 1.00 10.00 H new ATOM 0 HA THR A 76 2.621 9.038 -4.458 1.00 10.00 H new ATOM 0 HB THR A 76 1.614 11.333 -3.437 1.00 10.00 H new ATOM 0 HG1 THR A 76 0.622 11.447 -5.805 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.674 12.454 -4.200 1.00 10.00 H new ATOM 0 HG22 THR A 76 3.992 10.793 -3.646 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.935 11.155 -5.388 1.00 10.00 H new ATOM 940 N PRO A 77 0.764 8.739 -2.635 1.00 10.00 N ATOM 941 CA PRO A 77 -0.320 8.268 -1.760 1.00 10.00 C ATOM 942 C PRO A 77 -1.308 9.379 -1.411 1.00 10.00 C ATOM 943 O PRO A 77 -2.433 9.117 -0.978 1.00 10.00 O ATOM 944 CB PRO A 77 0.405 7.786 -0.493 1.00 10.00 C ATOM 945 CG PRO A 77 1.846 7.682 -0.867 1.00 10.00 C ATOM 946 CD PRO A 77 2.070 8.686 -1.961 1.00 10.00 C ATOM 0 HA PRO A 77 -0.914 7.492 -2.244 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.264 8.487 0.330 1.00 10.00 H new ATOM 0 HB3 PRO A 77 0.016 6.823 -0.162 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.486 7.891 -0.010 1.00 10.00 H new ATOM 0 HG3 PRO A 77 2.088 6.675 -1.208 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.358 9.659 -1.563 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.862 8.372 -2.641 1.00 10.00 H new ATOM 954 N LYS A 78 -0.880 10.620 -1.609 1.00 10.00 N ATOM 955 CA LYS A 78 -1.712 11.778 -1.312 1.00 10.00 C ATOM 956 C LYS A 78 -2.863 11.895 -2.313 1.00 10.00 C ATOM 957 O LYS A 78 -3.979 12.271 -1.945 1.00 10.00 O ATOM 958 CB LYS A 78 -0.859 13.053 -1.307 1.00 10.00 C ATOM 959 CG LYS A 78 -1.638 14.330 -1.014 1.00 10.00 C ATOM 960 CD LYS A 78 -2.474 14.219 0.255 1.00 10.00 C ATOM 961 CE LYS A 78 -1.617 14.254 1.514 1.00 10.00 C ATOM 962 NZ LYS A 78 -2.453 14.269 2.747 1.00 10.00 N ATOM 0 H LYS A 78 0.043 10.850 -1.976 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.147 11.648 -0.321 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.070 12.945 -0.563 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.372 13.153 -2.277 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.942 15.163 -0.916 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.290 14.557 -1.857 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -3.195 15.036 0.286 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -3.045 13.291 0.232 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.959 13.385 1.531 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.979 15.137 1.496 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -1.836 14.293 3.584 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -3.063 15.111 2.742 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -3.044 13.414 2.776 1.00 10.00 H new ATOM 976 N GLU A 79 -2.599 11.559 -3.569 1.00 10.00 N ATOM 977 CA GLU A 79 -3.630 11.627 -4.595 1.00 10.00 C ATOM 978 C GLU A 79 -4.431 10.332 -4.601 1.00 10.00 C ATOM 979 O GLU A 79 -4.033 9.355 -3.960 1.00 10.00 O ATOM 980 CB GLU A 79 -3.019 11.911 -5.973 1.00 10.00 C ATOM 981 CG GLU A 79 -2.217 10.758 -6.547 1.00 10.00 C ATOM 982 CD GLU A 79 -1.305 11.189 -7.673 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.812 11.646 -8.717 1.00 10.00 O ATOM 984 OE2 GLU A 79 -0.073 11.077 -7.513 1.00 10.00 O ATOM 0 H GLU A 79 -1.688 11.240 -3.899 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.303 12.453 -4.366 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.820 12.164 -6.668 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.374 12.786 -5.899 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.621 10.305 -5.755 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.900 9.991 -6.911 1.00 10.00 H new ATOM 991 N LEU A 80 -5.569 10.342 -5.298 1.00 10.00 N ATOM 992 CA LEU A 80 -6.467 9.184 -5.388 1.00 10.00 C ATOM 993 C LEU A 80 -7.227 8.988 -4.075 1.00 10.00 C ATOM 994 O LEU A 80 -8.454 8.882 -4.070 1.00 10.00 O ATOM 995 CB LEU A 80 -5.706 7.905 -5.767 1.00 10.00 C ATOM 996 CG LEU A 80 -5.072 7.917 -7.158 1.00 10.00 C ATOM 997 CD1 LEU A 80 -4.144 6.728 -7.330 1.00 10.00 C ATOM 998 CD2 LEU A 80 -6.147 7.909 -8.232 1.00 10.00 C ATOM 0 H LEU A 80 -5.897 11.156 -5.819 1.00 10.00 H new ATOM 0 HA LEU A 80 -7.187 9.387 -6.181 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.922 7.735 -5.029 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.392 7.060 -5.704 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.486 8.830 -7.261 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.702 6.753 -8.326 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.354 6.772 -6.581 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.710 5.804 -7.207 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.678 7.918 -9.216 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -6.758 7.012 -8.129 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.777 8.792 -8.123 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.495 8.951 -2.969 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.114 8.792 -1.670 1.00 10.00 C ATOM 1012 C GLY A 81 -6.701 7.516 -0.970 1.00 10.00 C ATOM 1013 O GLY A 81 -7.543 6.669 -0.674 1.00 10.00 O ATOM 0 H GLY A 81 -5.478 9.029 -2.950 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -6.853 9.645 -1.043 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.198 8.801 -1.787 1.00 10.00 H new ATOM 1017 N MET A 82 -5.412 7.378 -0.694 1.00 10.00 N ATOM 1018 CA MET A 82 -4.901 6.195 -0.013 1.00 10.00 C ATOM 1019 C MET A 82 -4.979 6.379 1.496 1.00 10.00 C ATOM 1020 O MET A 82 -4.461 7.358 2.040 1.00 10.00 O ATOM 1021 CB MET A 82 -3.457 5.909 -0.430 1.00 10.00 C ATOM 1022 CG MET A 82 -3.333 5.341 -1.834 1.00 10.00 C ATOM 1023 SD MET A 82 -1.647 4.855 -2.245 1.00 10.00 S ATOM 1024 CE MET A 82 -1.934 3.895 -3.730 1.00 10.00 C ATOM 0 H MET A 82 -4.701 8.070 -0.931 1.00 10.00 H new ATOM 0 HA MET A 82 -5.519 5.344 -0.300 1.00 10.00 H new ATOM 0 HB2 MET A 82 -2.880 6.831 -0.367 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.015 5.208 0.278 1.00 10.00 H new ATOM 0 HG2 MET A 82 -3.989 4.476 -1.930 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.678 6.084 -2.553 1.00 10.00 H new ATOM 0 HE1 MET A 82 -0.984 3.521 -4.111 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.588 3.054 -3.499 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.405 4.525 -4.485 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.634 5.444 2.169 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.782 5.513 3.614 1.00 10.00 C ATOM 1036 C GLU A 83 -5.243 4.257 4.287 1.00 10.00 C ATOM 1037 O GLU A 83 -4.788 3.325 3.624 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.251 5.712 3.987 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.621 7.158 4.281 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.828 7.738 5.437 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -6.397 6.969 6.326 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.636 8.971 5.469 1.00 10.00 O ATOM 0 H GLU A 83 -6.071 4.630 1.737 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.201 6.365 3.968 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -7.876 5.346 3.172 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.479 5.104 4.862 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.451 7.761 3.389 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -8.685 7.218 4.509 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.291 4.252 5.612 1.00 10.00 N ATOM 1050 CA GLU A 84 -4.826 3.120 6.398 1.00 10.00 C ATOM 1051 C GLU A 84 -5.782 1.943 6.221 1.00 10.00 C ATOM 1052 O GLU A 84 -6.995 2.142 6.121 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.724 3.527 7.874 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.415 2.381 8.830 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.117 1.666 8.511 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.099 2.348 8.275 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -3.104 0.420 8.516 1.00 10.00 O ATOM 0 H GLU A 84 -5.651 5.027 6.168 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.838 2.814 6.055 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -3.948 4.286 7.975 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.664 3.990 8.175 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.367 2.769 9.847 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.234 1.662 8.801 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.227 0.729 6.160 1.00 10.00 N ATOM 1065 CA GLU A 85 -6.014 -0.496 5.988 1.00 10.00 C ATOM 1066 C GLU A 85 -6.644 -0.552 4.599 1.00 10.00 C ATOM 1067 O GLU A 85 -7.664 -1.217 4.394 1.00 10.00 O ATOM 1068 CB GLU A 85 -7.105 -0.610 7.062 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.568 -0.860 8.460 1.00 10.00 C ATOM 1070 CD GLU A 85 -6.069 -2.275 8.654 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -5.187 -2.483 9.512 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -6.560 -3.188 7.960 1.00 10.00 O ATOM 0 H GLU A 85 -4.222 0.568 6.228 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.331 -1.339 6.096 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.693 0.308 7.068 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.782 -1.420 6.793 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.755 -0.162 8.662 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -7.353 -0.654 9.188 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.031 0.138 3.645 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.538 0.160 2.279 1.00 10.00 C ATOM 1081 C ASP A 86 -6.200 -1.141 1.563 1.00 10.00 C ATOM 1082 O ASP A 86 -5.312 -1.883 1.990 1.00 10.00 O ATOM 1083 CB ASP A 86 -5.967 1.346 1.503 1.00 10.00 C ATOM 1084 CG ASP A 86 -6.998 1.992 0.603 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -7.500 1.312 -0.320 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.319 3.178 0.825 1.00 10.00 O ATOM 0 H ASP A 86 -5.185 0.688 3.791 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.622 0.267 2.326 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.585 2.087 2.205 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.122 1.011 0.902 1.00 10.00 H new ATOM 1091 N VAL A 87 -6.897 -1.406 0.470 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.686 -2.622 -0.300 1.00 10.00 C ATOM 1093 C VAL A 87 -6.197 -2.296 -1.707 1.00 10.00 C ATOM 1094 O VAL A 87 -6.823 -1.522 -2.431 1.00 10.00 O ATOM 1095 CB VAL A 87 -7.985 -3.459 -0.390 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.785 -4.690 -1.261 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.462 -3.859 0.999 1.00 10.00 C ATOM 0 H VAL A 87 -7.619 -0.791 0.094 1.00 10.00 H new ATOM 0 HA VAL A 87 -5.925 -3.206 0.218 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.752 -2.839 -0.854 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.714 -5.259 -1.306 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.499 -4.382 -2.267 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -6.998 -5.313 -0.835 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.376 -4.447 0.915 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.692 -4.454 1.491 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.660 -2.963 1.588 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.072 -2.883 -2.082 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.501 -2.668 -3.400 1.00 10.00 C ATOM 1109 C ILE A 88 -4.186 -4.012 -4.058 1.00 10.00 C ATOM 1110 O ILE A 88 -3.697 -4.937 -3.407 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.241 -1.766 -3.329 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.726 -1.434 -4.734 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.146 -2.412 -2.489 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.730 -0.293 -4.761 1.00 10.00 C ATOM 0 H ILE A 88 -4.535 -3.515 -1.488 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.235 -2.145 -4.014 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.527 -0.833 -2.843 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.260 -2.322 -5.160 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.573 -1.181 -5.372 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.276 -1.756 -2.458 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.513 -2.575 -1.476 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.864 -3.368 -2.931 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.409 -0.114 -5.787 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.198 0.608 -4.365 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.865 -0.551 -4.150 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.496 -4.132 -5.340 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.267 -5.377 -6.059 1.00 10.00 C ATOM 1128 C GLU A 89 -3.039 -5.287 -6.956 1.00 10.00 C ATOM 1129 O GLU A 89 -2.701 -4.215 -7.460 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.490 -5.730 -6.905 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.793 -5.745 -6.124 1.00 10.00 C ATOM 1132 CD GLU A 89 -8.002 -5.790 -7.030 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.760 -6.780 -6.969 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.199 -4.834 -7.807 1.00 10.00 O ATOM 0 H GLU A 89 -4.905 -3.386 -5.902 1.00 10.00 H new ATOM 0 HA GLU A 89 -4.094 -6.158 -5.318 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.575 -5.012 -7.721 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.337 -6.710 -7.357 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.807 -6.609 -5.460 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.847 -4.858 -5.493 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.381 -6.420 -7.149 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.203 -6.492 -7.993 1.00 10.00 C ATOM 1143 C VAL A 90 -1.325 -7.674 -8.952 1.00 10.00 C ATOM 1144 O VAL A 90 -1.667 -8.784 -8.542 1.00 10.00 O ATOM 1145 CB VAL A 90 0.092 -6.606 -7.150 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.061 -7.831 -6.243 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.320 -6.628 -8.049 1.00 10.00 C ATOM 0 H VAL A 90 -2.648 -7.309 -6.727 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.138 -5.569 -8.569 1.00 10.00 H new ATOM 0 HB VAL A 90 0.150 -5.725 -6.511 1.00 10.00 H new ATOM 0 HG11 VAL A 90 0.985 -7.880 -5.666 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.788 -7.759 -5.563 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -0.036 -8.731 -6.850 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.218 -6.708 -7.436 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.262 -7.483 -8.723 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.360 -5.708 -8.633 1.00 10.00 H new ATOM 1157 N TYR A 91 -1.080 -7.430 -10.232 1.00 10.00 N ATOM 1158 CA TYR A 91 -1.178 -8.481 -11.234 1.00 10.00 C ATOM 1159 C TYR A 91 0.012 -8.450 -12.179 1.00 10.00 C ATOM 1160 O TYR A 91 0.671 -7.421 -12.328 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.480 -8.344 -12.025 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.704 -8.754 -11.239 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -4.096 -10.085 -11.176 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.462 -7.814 -10.552 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -5.205 -10.466 -10.451 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.575 -8.190 -9.824 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.940 -9.518 -9.778 1.00 10.00 C ATOM 1168 OH TYR A 91 -7.043 -9.901 -9.052 1.00 10.00 O ATOM 0 H TYR A 91 -0.813 -6.517 -10.600 1.00 10.00 H new ATOM 0 HA TYR A 91 -1.177 -9.440 -10.715 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.594 -7.309 -12.347 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.415 -8.953 -12.926 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.523 -10.833 -11.703 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.177 -6.773 -10.587 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.496 -11.505 -10.412 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.155 -7.448 -9.295 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.451 -9.113 -8.636 1.00 10.00 H new ATOM 1178 N GLN A 92 0.277 -9.581 -12.812 1.00 10.00 N ATOM 1179 CA GLN A 92 1.387 -9.703 -13.748 1.00 10.00 C ATOM 1180 C GLN A 92 1.054 -9.019 -15.071 1.00 10.00 C ATOM 1181 O GLN A 92 -0.010 -9.249 -15.653 1.00 10.00 O ATOM 1182 CB GLN A 92 1.711 -11.180 -13.985 1.00 10.00 C ATOM 1183 CG GLN A 92 3.006 -11.411 -14.748 1.00 10.00 C ATOM 1184 CD GLN A 92 3.179 -12.856 -15.181 1.00 10.00 C ATOM 1185 OE1 GLN A 92 2.692 -13.778 -14.524 1.00 10.00 O ATOM 1186 NE2 GLN A 92 3.871 -13.062 -16.291 1.00 10.00 N ATOM 0 H GLN A 92 -0.266 -10.436 -12.694 1.00 10.00 H new ATOM 0 HA GLN A 92 2.259 -9.211 -13.317 1.00 10.00 H new ATOM 0 HB2 GLN A 92 1.772 -11.688 -13.022 1.00 10.00 H new ATOM 0 HB3 GLN A 92 0.889 -11.638 -14.535 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.025 -10.767 -15.627 1.00 10.00 H new ATOM 0 HG3 GLN A 92 3.849 -11.120 -14.122 1.00 10.00 H new ATOM 0 HE21 GLN A 92 4.257 -12.270 -16.805 1.00 10.00 H new ATOM 0 HE22 GLN A 92 4.018 -14.012 -16.632 1.00 10.00 H new ATOM 1195 N GLU A 93 1.960 -8.172 -15.534 1.00 10.00 N ATOM 1196 CA GLU A 93 1.771 -7.456 -16.785 1.00 10.00 C ATOM 1197 C GLU A 93 2.086 -8.354 -17.973 1.00 10.00 C ATOM 1198 O GLU A 93 2.904 -9.271 -17.875 1.00 10.00 O ATOM 1199 CB GLU A 93 2.644 -6.202 -16.826 1.00 10.00 C ATOM 1200 CG GLU A 93 1.995 -4.991 -16.177 1.00 10.00 C ATOM 1201 CD GLU A 93 0.849 -4.428 -16.997 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -0.115 -5.170 -17.285 1.00 10.00 O ATOM 1203 OE2 GLU A 93 0.898 -3.232 -17.344 1.00 10.00 O ATOM 0 H GLU A 93 2.838 -7.963 -15.059 1.00 10.00 H new ATOM 0 HA GLU A 93 0.725 -7.154 -16.846 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.589 -6.410 -16.325 1.00 10.00 H new ATOM 0 HB3 GLU A 93 2.879 -5.966 -17.864 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.627 -5.267 -15.189 1.00 10.00 H new ATOM 0 HG3 GLU A 93 2.747 -4.216 -16.032 1.00 10.00 H new ATOM 1210 N GLN A 94 1.450 -8.061 -19.101 1.00 10.00 N ATOM 1211 CA GLN A 94 1.628 -8.842 -20.319 1.00 10.00 C ATOM 1212 C GLN A 94 2.950 -8.506 -21.010 1.00 10.00 C ATOM 1213 O GLN A 94 3.271 -9.062 -22.063 1.00 10.00 O ATOM 1214 CB GLN A 94 0.451 -8.593 -21.267 1.00 10.00 C ATOM 1215 CG GLN A 94 0.133 -9.769 -22.177 1.00 10.00 C ATOM 1216 CD GLN A 94 -1.208 -9.624 -22.867 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -1.661 -8.512 -23.150 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.859 -10.740 -23.133 1.00 10.00 N ATOM 0 H GLN A 94 0.800 -7.281 -19.197 1.00 10.00 H new ATOM 0 HA GLN A 94 1.658 -9.897 -20.048 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.434 -8.353 -20.677 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.671 -7.720 -21.881 1.00 10.00 H new ATOM 0 HG2 GLN A 94 0.916 -9.864 -22.929 1.00 10.00 H new ATOM 0 HG3 GLN A 94 0.139 -10.689 -21.592 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.451 -11.641 -22.883 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -2.771 -10.702 -23.589 1.00 10.00 H new ATOM 1227 N THR A 95 3.710 -7.592 -20.420 1.00 10.00 N ATOM 1228 CA THR A 95 4.998 -7.201 -20.972 1.00 10.00 C ATOM 1229 C THR A 95 6.104 -8.108 -20.443 1.00 10.00 C ATOM 1230 O THR A 95 7.124 -8.321 -21.104 1.00 10.00 O ATOM 1231 CB THR A 95 5.329 -5.743 -20.608 1.00 10.00 C ATOM 1232 OG1 THR A 95 5.084 -5.531 -19.211 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.494 -4.775 -21.434 1.00 10.00 C ATOM 0 H THR A 95 3.455 -7.108 -19.559 1.00 10.00 H new ATOM 0 HA THR A 95 4.936 -7.296 -22.056 1.00 10.00 H new ATOM 0 HB THR A 95 6.381 -5.559 -20.827 1.00 10.00 H new ATOM 0 HG1 THR A 95 5.296 -4.603 -18.979 1.00 10.00 H new ATOM 0 HG21 THR A 95 4.746 -3.751 -21.159 1.00 10.00 H new ATOM 0 HG22 THR A 95 4.702 -4.928 -22.493 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.436 -4.952 -21.243 1.00 10.00 H new ATOM 1241 N GLY A 96 5.890 -8.644 -19.245 1.00 10.00 N ATOM 1242 CA GLY A 96 6.876 -9.509 -18.627 1.00 10.00 C ATOM 1243 C GLY A 96 8.053 -8.721 -18.089 1.00 10.00 C ATOM 1244 O GLY A 96 9.112 -9.279 -17.806 1.00 10.00 O ATOM 0 H GLY A 96 5.047 -8.493 -18.690 1.00 10.00 H new ATOM 0 HA2 GLY A 96 6.411 -10.069 -17.815 1.00 10.00 H new ATOM 0 HA3 GLY A 96 7.229 -10.238 -19.356 1.00 10.00 H new ATOM 1248 N GLY A 97 7.862 -7.418 -17.953 1.00 10.00 N ATOM 1249 CA GLY A 97 8.907 -6.553 -17.459 1.00 10.00 C ATOM 1250 C GLY A 97 8.734 -5.148 -17.977 1.00 10.00 C ATOM 1251 O GLY A 97 9.744 -4.432 -18.129 1.00 10.00 O ATOM 0 H GLY A 97 6.989 -6.941 -18.180 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.894 -6.547 -16.369 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.879 -6.940 -17.764 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -4.172 -17.921 6.481 1.00 10.00 N ATOM 1257 CA ASN B 357 -3.725 -16.557 6.852 1.00 10.00 C ATOM 1258 C ASN B 357 -2.259 -16.354 6.505 1.00 10.00 C ATOM 1259 O ASN B 357 -1.382 -16.878 7.182 1.00 10.00 O ATOM 1260 CB ASN B 357 -3.913 -16.318 8.356 1.00 10.00 C ATOM 1261 CG ASN B 357 -3.373 -14.969 8.804 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -3.627 -13.940 8.179 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -2.604 -14.977 9.879 1.00 10.00 N ATOM 0 HA ASN B 357 -4.332 -15.848 6.288 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -4.973 -16.381 8.601 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -3.410 -17.110 8.912 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -2.195 -14.107 10.220 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -2.419 -15.853 10.367 1.00 10.00 H new ATOM 1270 N ASN B 358 -1.982 -15.623 5.435 1.00 10.00 N ATOM 1271 CA ASN B 358 -0.599 -15.369 5.076 1.00 10.00 C ATOM 1272 C ASN B 358 -0.343 -13.877 5.080 1.00 10.00 C ATOM 1273 O ASN B 358 -0.982 -13.135 4.338 1.00 10.00 O ATOM 1274 CB ASN B 358 -0.305 -15.936 3.685 1.00 10.00 C ATOM 1275 CG ASN B 358 1.162 -15.846 3.320 1.00 10.00 C ATOM 1276 OD1 ASN B 358 2.020 -15.653 4.178 1.00 10.00 O ATOM 1277 ND2 ASN B 358 1.466 -16.000 2.044 1.00 10.00 N ATOM 0 H ASN B 358 -2.677 -15.206 4.816 1.00 10.00 H new ATOM 0 HA ASN B 358 0.053 -15.854 5.802 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -0.622 -16.978 3.646 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -0.894 -15.396 2.944 1.00 10.00 H new ATOM 0 HD21 ASN B 358 2.440 -15.960 1.743 1.00 10.00 H new ATOM 0 HD22 ASN B 358 0.727 -16.159 1.359 1.00 10.00 H new ATOM 1284 N ARG B 359 0.584 -13.436 5.918 1.00 10.00 N ATOM 1285 CA ARG B 359 0.928 -12.024 5.993 1.00 10.00 C ATOM 1286 C ARG B 359 2.429 -11.788 5.907 1.00 10.00 C ATOM 1287 O ARG B 359 3.212 -12.432 6.607 1.00 10.00 O ATOM 1288 CB ARG B 359 0.346 -11.364 7.255 1.00 10.00 C ATOM 1289 CG ARG B 359 0.921 -11.877 8.573 1.00 10.00 C ATOM 1290 CD ARG B 359 0.641 -10.905 9.713 1.00 10.00 C ATOM 1291 NE ARG B 359 1.177 -11.376 10.992 1.00 10.00 N ATOM 1292 CZ ARG B 359 0.687 -11.022 12.181 1.00 10.00 C ATOM 1293 NH1 ARG B 359 -0.302 -10.138 12.259 1.00 10.00 N ATOM 1294 NH2 ARG B 359 1.209 -11.527 13.295 1.00 10.00 N ATOM 0 H ARG B 359 1.110 -14.035 6.554 1.00 10.00 H new ATOM 0 HA ARG B 359 0.474 -11.552 5.122 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.515 -10.289 7.196 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.733 -11.517 7.262 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.489 -12.850 8.807 1.00 10.00 H new ATOM 0 HG3 ARG B 359 1.997 -12.022 8.471 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.077 -9.935 9.475 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -0.435 -10.757 9.805 1.00 10.00 H new ATOM 0 HE ARG B 359 1.973 -12.013 10.972 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -0.688 -9.728 11.408 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -0.675 -9.869 13.169 1.00 10.00 H new ATOM 0 HH21 ARG B 359 1.985 -12.186 13.241 1.00 10.00 H new ATOM 0 HH22 ARG B 359 0.833 -11.255 14.203 1.00 10.00 H new ATOM 1308 N ASP B 360 2.829 -10.891 5.031 1.00 10.00 N ATOM 1309 CA ASP B 360 4.228 -10.504 4.912 1.00 10.00 C ATOM 1310 C ASP B 360 4.304 -9.002 5.147 1.00 10.00 C ATOM 1311 O ASP B 360 3.555 -8.248 4.522 1.00 10.00 O ATOM 1312 CB ASP B 360 4.824 -10.868 3.546 1.00 10.00 C ATOM 1313 CG ASP B 360 6.277 -10.428 3.420 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.631 -9.780 2.417 1.00 10.00 O ATOM 1315 OD2 ASP B 360 7.083 -10.735 4.327 1.00 10.00 O ATOM 0 H ASP B 360 2.204 -10.410 4.384 1.00 10.00 H new ATOM 0 HA ASP B 360 4.817 -11.049 5.650 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.758 -11.946 3.397 1.00 10.00 H new ATOM 0 HB3 ASP B 360 4.234 -10.401 2.757 1.00 10.00 H new ATOM 1320 N PRO B 361 5.195 -8.523 6.025 1.00 10.00 N ATOM 1321 CA PRO B 361 5.300 -7.105 6.305 1.00 10.00 C ATOM 1322 C PRO B 361 6.570 -6.485 5.725 1.00 10.00 C ATOM 1323 O PRO B 361 7.686 -6.961 5.937 1.00 10.00 O ATOM 1324 CB PRO B 361 5.357 -7.117 7.838 1.00 10.00 C ATOM 1325 CG PRO B 361 6.001 -8.433 8.201 1.00 10.00 C ATOM 1326 CD PRO B 361 6.033 -9.290 6.950 1.00 10.00 C ATOM 0 HA PRO B 361 4.492 -6.516 5.872 1.00 10.00 H new ATOM 0 HB2 PRO B 361 5.939 -6.277 8.217 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.359 -7.035 8.270 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.010 -8.273 8.581 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.438 -8.930 8.991 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.047 -9.417 6.570 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.632 -10.288 7.130 1.00 10.00 H new ATOM 1334 N ILE B 362 6.360 -5.392 5.001 1.00 10.00 N ATOM 1335 CA ILE B 362 7.426 -4.672 4.318 1.00 10.00 C ATOM 1336 C ILE B 362 7.552 -3.256 4.859 1.00 10.00 C ATOM 1337 O ILE B 362 6.555 -2.576 5.087 1.00 10.00 O ATOM 1338 CB ILE B 362 7.171 -4.603 2.791 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.615 -5.937 2.276 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.440 -4.214 2.036 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.060 -5.852 0.871 1.00 10.00 C ATOM 0 H ILE B 362 5.437 -4.978 4.871 1.00 10.00 H new ATOM 0 HA ILE B 362 8.351 -5.219 4.501 1.00 10.00 H new ATOM 0 HB ILE B 362 6.427 -3.828 2.608 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.406 -6.687 2.302 1.00 10.00 H new ATOM 0 HG13 ILE B 362 5.829 -6.279 2.949 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.230 -4.174 0.967 1.00 10.00 H new ATOM 0 HG22 ILE B 362 8.780 -3.236 2.376 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.217 -4.954 2.225 1.00 10.00 H new ATOM 0 HD11 ILE B 362 5.684 -6.829 0.569 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.247 -5.126 0.844 1.00 10.00 H new ATOM 0 HD13 ILE B 362 6.849 -5.539 0.187 1.00 10.00 H new ATOM 1353 N VAL B 363 8.779 -2.834 5.077 1.00 10.00 N ATOM 1354 CA VAL B 363 9.058 -1.511 5.593 1.00 10.00 C ATOM 1355 C VAL B 363 9.789 -0.720 4.522 1.00 10.00 C ATOM 1356 O VAL B 363 10.712 -1.220 3.875 1.00 10.00 O ATOM 1357 CB VAL B 363 9.892 -1.561 6.883 1.00 10.00 C ATOM 1358 CG1 VAL B 363 10.205 -0.160 7.389 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.157 -2.356 7.945 1.00 10.00 C ATOM 0 H VAL B 363 9.611 -3.398 4.902 1.00 10.00 H new ATOM 0 HA VAL B 363 8.114 -1.027 5.845 1.00 10.00 H new ATOM 0 HB VAL B 363 10.838 -2.055 6.660 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.796 -0.227 8.303 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.769 0.383 6.631 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.274 0.368 7.597 1.00 10.00 H new ATOM 0 HG21 VAL B 363 9.755 -2.386 8.856 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.198 -1.882 8.156 1.00 10.00 H new ATOM 0 HG23 VAL B 363 8.988 -3.372 7.588 1.00 10.00 H new ATOM 1369 N ILE B 364 9.354 0.509 4.350 1.00 10.00 N ATOM 1370 CA ILE B 364 9.865 1.395 3.324 1.00 10.00 C ATOM 1371 C ILE B 364 10.599 2.588 3.908 1.00 10.00 C ATOM 1372 O ILE B 364 10.276 3.080 4.991 1.00 10.00 O ATOM 1373 CB ILE B 364 8.762 1.879 2.353 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.407 2.310 1.035 1.00 10.00 C ATOM 1375 CG2 ILE B 364 7.949 3.025 2.948 1.00 10.00 C ATOM 1376 CD1 ILE B 364 10.016 1.164 0.252 1.00 10.00 C ATOM 0 H ILE B 364 8.625 0.928 4.927 1.00 10.00 H new ATOM 0 HA ILE B 364 10.577 0.798 2.754 1.00 10.00 H new ATOM 0 HB ILE B 364 8.072 1.054 2.175 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.656 2.802 0.417 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.182 3.048 1.244 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.185 3.337 2.236 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.472 2.692 3.870 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.609 3.866 3.164 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.454 1.546 -0.670 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.791 0.685 0.851 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.242 0.436 0.011 1.00 10.00 H new HETATM 1388 N SEP B 365 11.604 3.018 3.167 1.00 10.00 N HETATM 1389 CA SEP B 365 12.453 4.120 3.551 1.00 10.00 C HETATM 1390 CB SEP B 365 13.909 3.783 3.204 1.00 10.00 C HETATM 1391 OG SEP B 365 13.985 3.239 1.887 1.00 10.00 O HETATM 1392 C SEP B 365 12.022 5.340 2.755 1.00 10.00 C HETATM 1393 O SEP B 365 11.775 5.264 1.545 1.00 10.00 O HETATM 1394 P SEP B 365 15.352 3.273 1.054 1.00 10.00 P HETATM 1395 O1P SEP B 365 15.356 2.371 -0.110 1.00 10.00 O HETATM 1396 O2P SEP B 365 16.569 3.186 1.878 1.00 10.00 O HETATM 1397 O3P SEP B 365 15.419 4.732 0.414 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.524 4.680 3.271 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.307 3.069 3.925 1.00 10.00 H new HETATM 0 HA SEP B 365 12.372 4.310 4.621 1.00 10.00 H new HETATM 0 H SEP B 365 12.010 2.187 2.737 1.00 10.00 H new ATOM 1402 N ASP B 366 11.894 6.450 3.462 1.00 10.00 N ATOM 1403 CA ASP B 366 11.407 7.681 2.878 1.00 10.00 C ATOM 1404 C ASP B 366 12.486 8.750 2.870 1.00 10.00 C ATOM 1405 O ASP B 366 13.154 8.998 3.877 1.00 10.00 O ATOM 1406 CB ASP B 366 10.193 8.136 3.696 1.00 10.00 C ATOM 1407 CG ASP B 366 9.771 9.566 3.444 1.00 10.00 C ATOM 1408 OD1 ASP B 366 9.929 10.404 4.361 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.244 9.847 2.356 1.00 10.00 O ATOM 0 H ASP B 366 12.125 6.520 4.453 1.00 10.00 H new ATOM 0 HA ASP B 366 11.123 7.514 1.839 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.353 7.478 3.474 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.419 8.018 4.756 1.00 10.00 H new HETATM 1414 N SEP B 367 12.660 9.346 1.697 1.00 10.00 N HETATM 1415 CA SEP B 367 13.655 10.383 1.476 1.00 10.00 C HETATM 1416 CB SEP B 367 13.829 10.615 -0.032 1.00 10.00 C HETATM 1417 OG SEP B 367 14.697 9.640 -0.597 1.00 10.00 O HETATM 1418 C SEP B 367 13.286 11.684 2.182 1.00 10.00 C HETATM 1419 O SEP B 367 12.275 12.313 1.862 1.00 10.00 O HETATM 1420 P SEP B 367 14.103 8.487 -1.525 1.00 10.00 P HETATM 1421 O1P SEP B 367 13.286 8.988 -2.647 1.00 10.00 O HETATM 1422 O2P SEP B 367 15.098 7.473 -1.919 1.00 10.00 O HETATM 1423 O3P SEP B 367 13.080 7.692 -0.590 1.00 10.00 O HETATM 0 HB3 SEP B 367 12.858 10.573 -0.525 1.00 10.00 H new HETATM 0 HB2 SEP B 367 14.233 11.612 -0.207 1.00 10.00 H new HETATM 0 HA SEP B 367 14.599 10.045 1.903 1.00 10.00 H new HETATM 0 H SEP B 367 12.203 8.900 0.902 1.00 10.00 H new ATOM 1428 N PRO B 368 14.104 12.089 3.176 1.00 10.00 N ATOM 1429 CA PRO B 368 13.891 13.324 3.936 1.00 10.00 C ATOM 1430 C PRO B 368 14.049 14.555 3.056 1.00 10.00 C ATOM 1431 O PRO B 368 13.090 15.344 2.959 1.00 10.00 O ATOM 1432 CB PRO B 368 14.988 13.293 5.015 1.00 10.00 C ATOM 1433 CG PRO B 368 15.481 11.889 5.038 1.00 10.00 C ATOM 1434 CD PRO B 368 15.299 11.365 3.644 1.00 10.00 C ATOM 0 HA PRO B 368 12.884 13.380 4.350 1.00 10.00 H new ATOM 0 HB2 PRO B 368 15.793 13.988 4.777 1.00 10.00 H new ATOM 0 HB3 PRO B 368 14.591 13.586 5.987 1.00 10.00 H new ATOM 0 HG2 PRO B 368 16.528 11.848 5.337 1.00 10.00 H new ATOM 0 HG3 PRO B 368 14.921 11.290 5.756 1.00 10.00 H new ATOM 0 HD2 PRO B 368 16.167 11.571 3.018 1.00 10.00 H new ATOM 0 HD3 PRO B 368 15.148 10.286 3.634 1.00 10.00 H new TER 1442 PRO B 368