USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 93 SER OG : rot 119:sc= -2.76! USER MOD Set 2.1: A 13 GLN : amide:sc= 0.912 K(o=2.9,f=-4.8!) USER MOD Set 2.2: A 88 SER OG : rot 62:sc= 1.99 USER MOD Set 3.1: A 55 TYR OH : rot 180:sc= -0.103 USER MOD Set 3.2: A 79 TYR OH : rot -23:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.00727 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.105 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00325 USER MOD Single : A 6 SER OG : rot -65:sc= 0.318 USER MOD Single : A 9 MET CE :methyl 155:sc= -1.28 (180deg=-2.24) USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.709 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 55:sc= 0.0344 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -112:sc= 0.084 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.6) USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= 0.0414 (180deg=-0.889) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.84! C(o=-2.8!,f=-8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -152:sc= 0.0827 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-3.1) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -120:sc= -0.492 (180deg=-2.45!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.136 USER MOD Single : A 82 MET CE :methyl -129:sc= 0 (180deg=-0.0291) USER MOD Single : A 83 THR OG1 : rot 128:sc= 0.348 USER MOD Single : A 84 THR OG1 : rot -179:sc= -1.08 USER MOD Single : A 87 GLN : amide:sc= -1.65 X(o=-1.6,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -133:sc= -0.321 (180deg=-1.56!) USER MOD Single : A 97 LYS NZ :NH3+ 152:sc= -1.68 (180deg=-3.44!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 17:sc= 0.767 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.370 4.916 0.837 1.00 0.00 N ATOM 2 CA GLY A 1 -22.816 3.536 0.788 1.00 0.00 C ATOM 3 C GLY A 1 -24.019 3.348 -0.115 1.00 0.00 C ATOM 4 O GLY A 1 -24.925 4.181 -0.135 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.129 5.168 1.817 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.531 5.031 0.234 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.130 5.539 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.999 2.906 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.066 3.202 1.795 1.00 0.00 H new ATOM 8 N SER A 2 -24.028 2.250 -0.865 1.00 0.00 N ATOM 9 CA SER A 2 -25.126 1.958 -1.779 1.00 0.00 C ATOM 10 C SER A 2 -25.966 0.793 -1.263 1.00 0.00 C ATOM 11 O SER A 2 -25.443 -0.145 -0.662 1.00 0.00 O ATOM 12 CB SER A 2 -24.586 1.634 -3.173 1.00 0.00 C ATOM 13 OG SER A 2 -23.909 2.748 -3.728 1.00 0.00 O ATOM 0 H SER A 2 -23.288 1.549 -0.857 1.00 0.00 H new ATOM 0 HA SER A 2 -25.760 2.842 -1.840 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.907 0.783 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.408 1.341 -3.826 1.00 0.00 H new ATOM 0 HG SER A 2 -23.572 2.515 -4.618 1.00 0.00 H new ATOM 19 N SER A 3 -27.271 0.860 -1.504 1.00 0.00 N ATOM 20 CA SER A 3 -28.185 -0.186 -1.061 1.00 0.00 C ATOM 21 C SER A 3 -28.130 -1.388 -1.999 1.00 0.00 C ATOM 22 O SER A 3 -27.814 -2.501 -1.582 1.00 0.00 O ATOM 23 CB SER A 3 -29.615 0.353 -0.989 1.00 0.00 C ATOM 24 OG SER A 3 -30.000 0.945 -2.217 1.00 0.00 O ATOM 0 H SER A 3 -27.719 1.628 -2.004 1.00 0.00 H new ATOM 0 HA SER A 3 -27.875 -0.508 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.300 -0.458 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.690 1.089 -0.188 1.00 0.00 H new ATOM 0 HG SER A 3 -30.918 1.280 -2.145 1.00 0.00 H new ATOM 30 N GLY A 4 -28.441 -1.153 -3.271 1.00 0.00 N ATOM 31 CA GLY A 4 -28.421 -2.225 -4.249 1.00 0.00 C ATOM 32 C GLY A 4 -27.315 -3.228 -3.988 1.00 0.00 C ATOM 33 O GLY A 4 -27.538 -4.257 -3.350 1.00 0.00 O ATOM 0 H GLY A 4 -28.706 -0.240 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.382 -2.739 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.295 -1.801 -5.245 1.00 0.00 H new ATOM 37 N SER A 5 -26.118 -2.930 -4.484 1.00 0.00 N ATOM 38 CA SER A 5 -24.974 -3.816 -4.306 1.00 0.00 C ATOM 39 C SER A 5 -24.311 -3.581 -2.953 1.00 0.00 C ATOM 40 O SER A 5 -24.559 -2.571 -2.294 1.00 0.00 O ATOM 41 CB SER A 5 -23.957 -3.603 -5.429 1.00 0.00 C ATOM 42 OG SER A 5 -23.614 -2.233 -5.553 1.00 0.00 O ATOM 0 H SER A 5 -25.916 -2.081 -5.012 1.00 0.00 H new ATOM 0 HA SER A 5 -25.333 -4.844 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.060 -4.189 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.369 -3.965 -6.371 1.00 0.00 H new ATOM 0 HG SER A 5 -22.962 -2.123 -6.276 1.00 0.00 H new ATOM 48 N SER A 6 -23.466 -4.522 -2.543 1.00 0.00 N ATOM 49 CA SER A 6 -22.769 -4.421 -1.267 1.00 0.00 C ATOM 50 C SER A 6 -21.257 -4.427 -1.471 1.00 0.00 C ATOM 51 O SER A 6 -20.605 -5.461 -1.330 1.00 0.00 O ATOM 52 CB SER A 6 -23.175 -5.575 -0.347 1.00 0.00 C ATOM 53 OG SER A 6 -22.288 -5.687 0.752 1.00 0.00 O ATOM 0 H SER A 6 -23.248 -5.363 -3.077 1.00 0.00 H new ATOM 0 HA SER A 6 -23.052 -3.477 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.190 -5.415 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.181 -6.508 -0.910 1.00 0.00 H new ATOM 0 HG SER A 6 -21.397 -5.938 0.429 1.00 0.00 H new ATOM 59 N GLY A 7 -20.707 -3.264 -1.805 1.00 0.00 N ATOM 60 CA GLY A 7 -19.276 -3.156 -2.024 1.00 0.00 C ATOM 61 C GLY A 7 -18.568 -2.447 -0.886 1.00 0.00 C ATOM 62 O GLY A 7 -19.195 -2.060 0.099 1.00 0.00 O ATOM 0 H GLY A 7 -21.226 -2.395 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.854 -4.153 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.093 -2.617 -2.954 1.00 0.00 H new ATOM 66 N ILE A 8 -17.256 -2.279 -1.022 1.00 0.00 N ATOM 67 CA ILE A 8 -16.462 -1.613 0.003 1.00 0.00 C ATOM 68 C ILE A 8 -15.859 -0.316 -0.525 1.00 0.00 C ATOM 69 O ILE A 8 -15.152 -0.314 -1.533 1.00 0.00 O ATOM 70 CB ILE A 8 -15.329 -2.522 0.516 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.909 -3.796 1.134 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.472 -1.778 1.529 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.881 -4.886 1.346 1.00 0.00 C ATOM 0 H ILE A 8 -16.721 -2.595 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.137 -1.387 0.828 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.698 -2.804 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.368 -3.549 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.701 -4.175 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.676 -2.433 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.035 -0.897 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.090 -1.470 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.362 -5.759 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.439 -5.160 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.101 -4.525 2.016 1.00 0.00 H new ATOM 85 N MET A 9 -16.142 0.785 0.163 1.00 0.00 N ATOM 86 CA MET A 9 -15.624 2.089 -0.236 1.00 0.00 C ATOM 87 C MET A 9 -14.512 2.542 0.704 1.00 0.00 C ATOM 88 O MET A 9 -14.604 2.371 1.920 1.00 0.00 O ATOM 89 CB MET A 9 -16.749 3.125 -0.251 1.00 0.00 C ATOM 90 CG MET A 9 -18.078 2.573 -0.742 1.00 0.00 C ATOM 91 SD MET A 9 -18.084 2.258 -2.518 1.00 0.00 S ATOM 92 CE MET A 9 -18.617 0.549 -2.556 1.00 0.00 C ATOM 0 H MET A 9 -16.727 0.801 0.999 1.00 0.00 H new ATOM 0 HA MET A 9 -15.211 1.997 -1.241 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.880 3.522 0.756 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.455 3.960 -0.887 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.301 1.647 -0.212 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.872 3.279 -0.499 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.089 0.336 -3.515 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.755 -0.104 -2.423 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.332 0.373 -1.753 1.00 0.00 H new ATOM 102 N VAL A 10 -13.460 3.121 0.133 1.00 0.00 N ATOM 103 CA VAL A 10 -12.330 3.600 0.920 1.00 0.00 C ATOM 104 C VAL A 10 -12.661 4.918 1.612 1.00 0.00 C ATOM 105 O VAL A 10 -12.644 5.981 0.990 1.00 0.00 O ATOM 106 CB VAL A 10 -11.078 3.793 0.045 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.926 4.342 0.873 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.688 2.484 -0.623 1.00 0.00 C ATOM 0 H VAL A 10 -13.367 3.270 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.124 2.839 1.673 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.310 4.518 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.050 4.472 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.210 5.304 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.691 3.644 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.801 2.639 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.474 1.736 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.509 2.137 -1.251 1.00 0.00 H new ATOM 118 N THR A 11 -12.963 4.842 2.905 1.00 0.00 N ATOM 119 CA THR A 11 -13.299 6.028 3.682 1.00 0.00 C ATOM 120 C THR A 11 -12.102 6.964 3.803 1.00 0.00 C ATOM 121 O THR A 11 -12.234 8.180 3.662 1.00 0.00 O ATOM 122 CB THR A 11 -13.788 5.654 5.094 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.720 5.062 5.842 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.961 4.687 5.022 1.00 0.00 C ATOM 0 H THR A 11 -12.982 3.971 3.436 1.00 0.00 H new ATOM 0 HA THR A 11 -14.102 6.537 3.150 1.00 0.00 H new ATOM 0 HB THR A 11 -14.119 6.565 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.987 4.975 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.289 4.437 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.783 5.152 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.652 3.778 4.506 1.00 0.00 H new ATOM 132 N LYS A 12 -10.932 6.390 4.064 1.00 0.00 N ATOM 133 CA LYS A 12 -9.710 7.172 4.202 1.00 0.00 C ATOM 134 C LYS A 12 -8.747 6.884 3.054 1.00 0.00 C ATOM 135 O LYS A 12 -8.055 5.866 3.053 1.00 0.00 O ATOM 136 CB LYS A 12 -9.031 6.865 5.539 1.00 0.00 C ATOM 137 CG LYS A 12 -7.794 7.706 5.800 1.00 0.00 C ATOM 138 CD LYS A 12 -7.049 7.233 7.037 1.00 0.00 C ATOM 139 CE LYS A 12 -7.730 7.705 8.312 1.00 0.00 C ATOM 140 NZ LYS A 12 -7.359 9.107 8.652 1.00 0.00 N ATOM 0 H LYS A 12 -10.805 5.385 4.184 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.979 8.228 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.746 7.026 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.755 5.811 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.132 7.659 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.082 8.750 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.992 6.144 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.025 7.605 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.811 7.634 8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.455 7.046 9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.843 9.392 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.330 9.170 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.644 9.739 7.877 1.00 0.00 H new ATOM 154 N GLN A 13 -8.709 7.787 2.079 1.00 0.00 N ATOM 155 CA GLN A 13 -7.830 7.629 0.926 1.00 0.00 C ATOM 156 C GLN A 13 -6.369 7.799 1.328 1.00 0.00 C ATOM 157 O GLN A 13 -6.049 8.563 2.241 1.00 0.00 O ATOM 158 CB GLN A 13 -8.193 8.641 -0.161 1.00 0.00 C ATOM 159 CG GLN A 13 -9.619 8.502 -0.670 1.00 0.00 C ATOM 160 CD GLN A 13 -9.741 7.490 -1.793 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.740 7.050 -2.359 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.972 7.115 -2.120 1.00 0.00 N ATOM 0 H GLN A 13 -9.276 8.635 2.064 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.965 6.621 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.052 9.648 0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.504 8.525 -0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.268 8.205 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.972 9.472 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.773 7.506 -1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.117 6.436 -2.867 1.00 0.00 H new ATOM 171 N LEU A 14 -5.484 7.083 0.643 1.00 0.00 N ATOM 172 CA LEU A 14 -4.056 7.154 0.928 1.00 0.00 C ATOM 173 C LEU A 14 -3.539 8.581 0.772 1.00 0.00 C ATOM 174 O LEU A 14 -4.133 9.391 0.060 1.00 0.00 O ATOM 175 CB LEU A 14 -3.283 6.216 0.000 1.00 0.00 C ATOM 176 CG LEU A 14 -3.674 4.739 0.062 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.213 4.011 -1.192 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.091 4.084 1.306 1.00 0.00 C ATOM 0 H LEU A 14 -5.731 6.446 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.902 6.842 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.413 6.563 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.222 6.300 0.233 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.761 4.673 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.500 2.961 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.679 4.463 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.129 4.086 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.380 3.033 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.004 4.161 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.471 4.588 2.195 1.00 0.00 H new ATOM 190 N GLU A 15 -2.430 8.880 1.441 1.00 0.00 N ATOM 191 CA GLU A 15 -1.834 10.209 1.374 1.00 0.00 C ATOM 192 C GLU A 15 -0.361 10.126 0.984 1.00 0.00 C ATOM 193 O GLU A 15 0.350 9.208 1.393 1.00 0.00 O ATOM 194 CB GLU A 15 -1.977 10.925 2.719 1.00 0.00 C ATOM 195 CG GLU A 15 -3.415 11.247 3.088 1.00 0.00 C ATOM 196 CD GLU A 15 -3.526 12.434 4.025 1.00 0.00 C ATOM 197 OE1 GLU A 15 -3.448 12.229 5.254 1.00 0.00 O ATOM 198 OE2 GLU A 15 -3.690 13.568 3.528 1.00 0.00 O ATOM 0 H GLU A 15 -1.927 8.221 2.035 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.363 10.778 0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.541 10.302 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.402 11.851 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.982 11.452 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.870 10.375 3.558 1.00 0.00 H new ATOM 205 N ASP A 16 0.089 11.091 0.189 1.00 0.00 N ATOM 206 CA ASP A 16 1.477 11.128 -0.257 1.00 0.00 C ATOM 207 C ASP A 16 2.432 11.003 0.926 1.00 0.00 C ATOM 208 O ASP A 16 2.310 11.726 1.915 1.00 0.00 O ATOM 209 CB ASP A 16 1.755 12.424 -1.019 1.00 0.00 C ATOM 210 CG ASP A 16 3.200 12.868 -0.899 1.00 0.00 C ATOM 211 OD1 ASP A 16 4.084 12.159 -1.423 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.447 13.924 -0.279 1.00 0.00 O ATOM 0 H ASP A 16 -0.487 11.857 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 16 1.642 10.281 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.507 12.284 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.103 13.212 -0.640 1.00 0.00 H new ATOM 217 N THR A 17 3.383 10.081 0.818 1.00 0.00 N ATOM 218 CA THR A 17 4.357 9.860 1.879 1.00 0.00 C ATOM 219 C THR A 17 5.778 10.099 1.380 1.00 0.00 C ATOM 220 O THR A 17 6.088 9.850 0.215 1.00 0.00 O ATOM 221 CB THR A 17 4.257 8.430 2.444 1.00 0.00 C ATOM 222 OG1 THR A 17 2.970 8.227 3.039 1.00 0.00 O ATOM 223 CG2 THR A 17 5.344 8.181 3.479 1.00 0.00 C ATOM 0 H THR A 17 3.499 9.475 0.006 1.00 0.00 H new ATOM 0 HA THR A 17 4.129 10.573 2.671 1.00 0.00 H new ATOM 0 HB THR A 17 4.391 7.727 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.271 8.435 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.254 7.165 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.323 8.308 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.235 8.891 4.299 1.00 0.00 H new ATOM 231 N THR A 18 6.639 10.583 2.269 1.00 0.00 N ATOM 232 CA THR A 18 8.027 10.856 1.919 1.00 0.00 C ATOM 233 C THR A 18 8.984 10.111 2.843 1.00 0.00 C ATOM 234 O THR A 18 9.167 10.491 3.999 1.00 0.00 O ATOM 235 CB THR A 18 8.337 12.363 1.984 1.00 0.00 C ATOM 236 OG1 THR A 18 7.544 13.068 1.023 1.00 0.00 O ATOM 237 CG2 THR A 18 9.812 12.624 1.721 1.00 0.00 C ATOM 0 H THR A 18 6.399 10.794 3.238 1.00 0.00 H new ATOM 0 HA THR A 18 8.169 10.508 0.896 1.00 0.00 H new ATOM 0 HB THR A 18 8.095 12.718 2.986 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.746 14.026 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.007 13.695 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.412 12.110 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.076 12.254 0.730 1.00 0.00 H new ATOM 245 N ALA A 19 9.593 9.049 2.325 1.00 0.00 N ATOM 246 CA ALA A 19 10.533 8.253 3.104 1.00 0.00 C ATOM 247 C ALA A 19 11.957 8.422 2.584 1.00 0.00 C ATOM 248 O ALA A 19 12.199 9.178 1.643 1.00 0.00 O ATOM 249 CB ALA A 19 10.131 6.786 3.079 1.00 0.00 C ATOM 0 H ALA A 19 9.452 8.720 1.370 1.00 0.00 H new ATOM 0 HA ALA A 19 10.505 8.608 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.842 6.204 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.134 6.675 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.129 6.427 2.050 1.00 0.00 H new ATOM 255 N TYR A 20 12.895 7.713 3.202 1.00 0.00 N ATOM 256 CA TYR A 20 14.296 7.787 2.803 1.00 0.00 C ATOM 257 C TYR A 20 14.788 6.438 2.289 1.00 0.00 C ATOM 258 O TYR A 20 14.209 5.395 2.596 1.00 0.00 O ATOM 259 CB TYR A 20 15.160 8.243 3.981 1.00 0.00 C ATOM 260 CG TYR A 20 14.903 9.672 4.403 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.461 10.735 3.704 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.101 9.959 5.500 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.230 12.041 4.086 1.00 0.00 C ATOM 264 CE2 TYR A 20 13.863 11.263 5.889 1.00 0.00 C ATOM 265 CZ TYR A 20 14.430 12.301 5.180 1.00 0.00 C ATOM 266 OH TYR A 20 14.196 13.601 5.563 1.00 0.00 O ATOM 0 H TYR A 20 12.711 7.081 3.981 1.00 0.00 H new ATOM 0 HA TYR A 20 14.380 8.515 1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.979 7.584 4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.211 8.136 3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 20 16.087 10.536 2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.656 9.149 6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.673 12.855 3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.236 11.468 6.744 1.00 0.00 H new ATOM 0 HH TYR A 20 13.612 13.610 6.350 1.00 0.00 H new ATOM 276 N CYS A 21 15.860 6.466 1.506 1.00 0.00 N ATOM 277 CA CYS A 21 16.432 5.245 0.948 1.00 0.00 C ATOM 278 C CYS A 21 16.804 4.264 2.054 1.00 0.00 C ATOM 279 O CYS A 21 17.761 4.484 2.797 1.00 0.00 O ATOM 280 CB CYS A 21 17.665 5.574 0.104 1.00 0.00 C ATOM 281 SG CYS A 21 18.645 4.129 -0.365 1.00 0.00 S ATOM 0 H CYS A 21 16.351 7.320 1.243 1.00 0.00 H new ATOM 0 HA CYS A 21 15.680 4.778 0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.345 6.092 -0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.299 6.265 0.660 1.00 0.00 H new ATOM 0 HG CYS A 21 19.664 4.508 -1.078 1.00 0.00 H new ATOM 287 N GLY A 22 16.041 3.181 2.160 1.00 0.00 N ATOM 288 CA GLY A 22 16.305 2.183 3.179 1.00 0.00 C ATOM 289 C GLY A 22 15.309 2.241 4.320 1.00 0.00 C ATOM 290 O GLY A 22 15.149 1.273 5.063 1.00 0.00 O ATOM 0 H GLY A 22 15.244 2.977 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.278 1.191 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.311 2.327 3.572 1.00 0.00 H new ATOM 294 N GLU A 23 14.638 3.380 4.460 1.00 0.00 N ATOM 295 CA GLU A 23 13.654 3.561 5.521 1.00 0.00 C ATOM 296 C GLU A 23 12.418 2.703 5.268 1.00 0.00 C ATOM 297 O GLU A 23 12.200 2.221 4.156 1.00 0.00 O ATOM 298 CB GLU A 23 13.252 5.033 5.630 1.00 0.00 C ATOM 299 CG GLU A 23 14.097 5.823 6.615 1.00 0.00 C ATOM 300 CD GLU A 23 13.715 5.555 8.057 1.00 0.00 C ATOM 301 OE1 GLU A 23 12.502 5.526 8.353 1.00 0.00 O ATOM 302 OE2 GLU A 23 14.627 5.375 8.890 1.00 0.00 O ATOM 0 H GLU A 23 14.758 4.191 3.853 1.00 0.00 H new ATOM 0 HA GLU A 23 14.109 3.246 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.328 5.496 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.206 5.094 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.148 5.573 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.991 6.888 6.407 1.00 0.00 H new ATOM 309 N ARG A 24 11.611 2.516 6.308 1.00 0.00 N ATOM 310 CA ARG A 24 10.398 1.715 6.199 1.00 0.00 C ATOM 311 C ARG A 24 9.177 2.604 5.983 1.00 0.00 C ATOM 312 O ARG A 24 8.928 3.534 6.750 1.00 0.00 O ATOM 313 CB ARG A 24 10.207 0.867 7.458 1.00 0.00 C ATOM 314 CG ARG A 24 8.824 0.247 7.571 1.00 0.00 C ATOM 315 CD ARG A 24 8.401 0.090 9.023 1.00 0.00 C ATOM 316 NE ARG A 24 8.744 -1.226 9.554 1.00 0.00 N ATOM 317 CZ ARG A 24 8.546 -1.583 10.818 1.00 0.00 C ATOM 318 NH1 ARG A 24 8.009 -0.727 11.676 1.00 0.00 N ATOM 319 NH2 ARG A 24 8.884 -2.800 11.226 1.00 0.00 N ATOM 0 H ARG A 24 11.776 2.908 7.235 1.00 0.00 H new ATOM 0 HA ARG A 24 10.504 1.056 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.954 0.073 7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.390 1.488 8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.101 0.870 7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.820 -0.727 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.882 0.861 9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.325 0.245 9.106 1.00 0.00 H new ATOM 0 HE ARG A 24 9.158 -1.909 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.747 0.209 11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.858 -1.004 12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.296 -3.462 10.569 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.732 -3.073 12.197 1.00 0.00 H new ATOM 333 N VAL A 25 8.418 2.312 4.931 1.00 0.00 N ATOM 334 CA VAL A 25 7.222 3.084 4.613 1.00 0.00 C ATOM 335 C VAL A 25 5.965 2.381 5.112 1.00 0.00 C ATOM 336 O VAL A 25 5.782 1.185 4.890 1.00 0.00 O ATOM 337 CB VAL A 25 7.096 3.324 3.097 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.913 4.232 2.797 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.384 3.913 2.542 1.00 0.00 C ATOM 0 H VAL A 25 8.610 1.547 4.285 1.00 0.00 H new ATOM 0 HA VAL A 25 7.322 4.045 5.118 1.00 0.00 H new ATOM 0 HB VAL A 25 6.921 2.365 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.840 4.390 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.996 3.766 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.054 5.191 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.277 4.076 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.592 4.863 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.208 3.223 2.724 1.00 0.00 H new ATOM 349 N GLU A 26 5.101 3.133 5.787 1.00 0.00 N ATOM 350 CA GLU A 26 3.860 2.581 6.318 1.00 0.00 C ATOM 351 C GLU A 26 2.652 3.345 5.784 1.00 0.00 C ATOM 352 O GLU A 26 2.392 4.479 6.189 1.00 0.00 O ATOM 353 CB GLU A 26 3.870 2.624 7.847 1.00 0.00 C ATOM 354 CG GLU A 26 4.693 1.516 8.483 1.00 0.00 C ATOM 355 CD GLU A 26 4.244 1.192 9.894 1.00 0.00 C ATOM 356 OE1 GLU A 26 4.652 1.915 10.827 1.00 0.00 O ATOM 357 OE2 GLU A 26 3.486 0.215 10.066 1.00 0.00 O ATOM 0 H GLU A 26 5.238 4.125 5.979 1.00 0.00 H new ATOM 0 HA GLU A 26 3.785 1.544 5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.261 3.588 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.845 2.557 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.623 0.618 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.742 1.811 8.498 1.00 0.00 H new ATOM 364 N LEU A 27 1.918 2.716 4.872 1.00 0.00 N ATOM 365 CA LEU A 27 0.737 3.336 4.281 1.00 0.00 C ATOM 366 C LEU A 27 -0.535 2.851 4.969 1.00 0.00 C ATOM 367 O LEU A 27 -0.917 1.688 4.839 1.00 0.00 O ATOM 368 CB LEU A 27 0.670 3.028 2.784 1.00 0.00 C ATOM 369 CG LEU A 27 1.941 3.312 1.983 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.780 2.849 0.544 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.284 4.794 2.034 1.00 0.00 C ATOM 0 H LEU A 27 2.120 1.778 4.526 1.00 0.00 H new ATOM 0 HA LEU A 27 0.815 4.414 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.415 1.976 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.146 3.607 2.350 1.00 0.00 H new ATOM 0 HG LEU A 27 2.763 2.754 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.695 3.059 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.584 1.777 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.946 3.378 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.191 4.977 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.463 5.372 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.444 5.095 3.069 1.00 0.00 H new ATOM 383 N GLU A 28 -1.186 3.750 5.700 1.00 0.00 N ATOM 384 CA GLU A 28 -2.416 3.412 6.407 1.00 0.00 C ATOM 385 C GLU A 28 -3.639 3.890 5.630 1.00 0.00 C ATOM 386 O GLU A 28 -3.574 4.874 4.892 1.00 0.00 O ATOM 387 CB GLU A 28 -2.413 4.032 7.806 1.00 0.00 C ATOM 388 CG GLU A 28 -3.468 3.451 8.732 1.00 0.00 C ATOM 389 CD GLU A 28 -3.928 4.439 9.786 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.815 5.659 9.546 1.00 0.00 O ATOM 391 OE2 GLU A 28 -4.401 3.992 10.852 1.00 0.00 O ATOM 0 H GLU A 28 -0.883 4.717 5.818 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.466 2.327 6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.430 3.890 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.571 5.107 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.326 3.129 8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.067 2.564 9.222 1.00 0.00 H new ATOM 398 N CYS A 29 -4.753 3.187 5.801 1.00 0.00 N ATOM 399 CA CYS A 29 -5.992 3.537 5.115 1.00 0.00 C ATOM 400 C CYS A 29 -7.189 2.862 5.775 1.00 0.00 C ATOM 401 O CYS A 29 -7.031 1.935 6.569 1.00 0.00 O ATOM 402 CB CYS A 29 -5.914 3.137 3.641 1.00 0.00 C ATOM 403 SG CYS A 29 -5.902 1.350 3.361 1.00 0.00 S ATOM 0 H CYS A 29 -4.824 2.371 6.409 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.124 4.617 5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.763 3.571 3.112 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.013 3.568 3.206 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.743 0.992 2.894 1.00 0.00 H new ATOM 409 N GLU A 30 -8.386 3.334 5.442 1.00 0.00 N ATOM 410 CA GLU A 30 -9.610 2.776 6.006 1.00 0.00 C ATOM 411 C GLU A 30 -10.615 2.446 4.905 1.00 0.00 C ATOM 412 O GLU A 30 -10.548 2.992 3.804 1.00 0.00 O ATOM 413 CB GLU A 30 -10.233 3.757 7.002 1.00 0.00 C ATOM 414 CG GLU A 30 -9.735 3.576 8.426 1.00 0.00 C ATOM 415 CD GLU A 30 -10.349 4.573 9.389 1.00 0.00 C ATOM 416 OE1 GLU A 30 -9.957 5.757 9.349 1.00 0.00 O ATOM 417 OE2 GLU A 30 -11.223 4.167 10.184 1.00 0.00 O ATOM 0 H GLU A 30 -8.535 4.100 4.785 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.352 1.854 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.019 4.776 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.316 3.638 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.964 2.564 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.650 3.680 8.444 1.00 0.00 H new ATOM 424 N VAL A 31 -11.545 1.548 5.212 1.00 0.00 N ATOM 425 CA VAL A 31 -12.564 1.145 4.250 1.00 0.00 C ATOM 426 C VAL A 31 -13.959 1.231 4.859 1.00 0.00 C ATOM 427 O VAL A 31 -14.117 1.581 6.029 1.00 0.00 O ATOM 428 CB VAL A 31 -12.324 -0.291 3.747 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.131 -0.334 2.805 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.123 -1.240 4.919 1.00 0.00 C ATOM 0 H VAL A 31 -11.614 1.086 6.119 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.495 1.834 3.408 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.205 -0.616 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.977 -1.356 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.320 0.313 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.240 0.010 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.955 -2.250 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.259 -0.920 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.011 -1.231 5.551 1.00 0.00 H new ATOM 440 N SER A 32 -14.970 0.910 4.057 1.00 0.00 N ATOM 441 CA SER A 32 -16.353 0.955 4.516 1.00 0.00 C ATOM 442 C SER A 32 -16.677 -0.257 5.385 1.00 0.00 C ATOM 443 O SER A 32 -17.370 -0.141 6.395 1.00 0.00 O ATOM 444 CB SER A 32 -17.307 1.010 3.321 1.00 0.00 C ATOM 445 OG SER A 32 -18.658 1.062 3.749 1.00 0.00 O ATOM 0 H SER A 32 -14.857 0.616 3.087 1.00 0.00 H new ATOM 0 HA SER A 32 -16.482 1.855 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.081 1.885 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.156 0.134 2.690 1.00 0.00 H new ATOM 0 HG SER A 32 -19.248 1.098 2.967 1.00 0.00 H new ATOM 451 N GLU A 33 -16.170 -1.418 4.982 1.00 0.00 N ATOM 452 CA GLU A 33 -16.406 -2.652 5.723 1.00 0.00 C ATOM 453 C GLU A 33 -15.274 -2.917 6.711 1.00 0.00 C ATOM 454 O GLU A 33 -14.263 -2.215 6.718 1.00 0.00 O ATOM 455 CB GLU A 33 -16.545 -3.833 4.760 1.00 0.00 C ATOM 456 CG GLU A 33 -17.890 -3.887 4.054 1.00 0.00 C ATOM 457 CD GLU A 33 -18.978 -4.496 4.918 1.00 0.00 C ATOM 458 OE1 GLU A 33 -18.667 -5.415 5.704 1.00 0.00 O ATOM 459 OE2 GLU A 33 -20.140 -4.053 4.807 1.00 0.00 O ATOM 0 H GLU A 33 -15.594 -1.530 4.148 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.335 -2.538 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.754 -3.777 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.396 -4.761 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.184 -2.879 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.792 -4.468 3.137 1.00 0.00 H new ATOM 466 N ASP A 34 -15.452 -3.936 7.545 1.00 0.00 N ATOM 467 CA ASP A 34 -14.447 -4.296 8.538 1.00 0.00 C ATOM 468 C ASP A 34 -13.723 -5.578 8.138 1.00 0.00 C ATOM 469 O ASP A 34 -14.205 -6.339 7.299 1.00 0.00 O ATOM 470 CB ASP A 34 -15.095 -4.469 9.912 1.00 0.00 C ATOM 471 CG ASP A 34 -16.075 -5.626 9.949 1.00 0.00 C ATOM 472 OD1 ASP A 34 -15.642 -6.777 9.732 1.00 0.00 O ATOM 473 OD2 ASP A 34 -17.274 -5.380 10.194 1.00 0.00 O ATOM 0 H ASP A 34 -16.283 -4.527 7.553 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.717 -3.488 8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.318 -4.631 10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.613 -3.549 10.185 1.00 0.00 H new ATOM 478 N ASP A 35 -12.563 -5.810 8.744 1.00 0.00 N ATOM 479 CA ASP A 35 -11.773 -7.000 8.451 1.00 0.00 C ATOM 480 C ASP A 35 -11.892 -7.383 6.979 1.00 0.00 C ATOM 481 O ASP A 35 -12.008 -8.561 6.642 1.00 0.00 O ATOM 482 CB ASP A 35 -12.221 -8.166 9.332 1.00 0.00 C ATOM 483 CG ASP A 35 -11.471 -9.447 9.024 1.00 0.00 C ATOM 484 OD1 ASP A 35 -10.226 -9.442 9.117 1.00 0.00 O ATOM 485 OD2 ASP A 35 -12.129 -10.455 8.689 1.00 0.00 O ATOM 0 H ASP A 35 -12.150 -5.190 9.440 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.729 -6.774 8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.072 -7.904 10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.289 -8.332 9.194 1.00 0.00 H new ATOM 490 N ALA A 36 -11.864 -6.380 6.108 1.00 0.00 N ATOM 491 CA ALA A 36 -11.968 -6.612 4.672 1.00 0.00 C ATOM 492 C ALA A 36 -10.629 -7.047 4.088 1.00 0.00 C ATOM 493 O ALA A 36 -9.639 -7.176 4.808 1.00 0.00 O ATOM 494 CB ALA A 36 -12.471 -5.360 3.970 1.00 0.00 C ATOM 0 H ALA A 36 -11.770 -5.399 6.371 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.684 -7.418 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.544 -5.548 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.454 -5.095 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.776 -4.539 4.148 1.00 0.00 H new ATOM 500 N ASN A 37 -10.605 -7.273 2.778 1.00 0.00 N ATOM 501 CA ASN A 37 -9.386 -7.695 2.097 1.00 0.00 C ATOM 502 C ASN A 37 -9.105 -6.811 0.887 1.00 0.00 C ATOM 503 O ASN A 37 -9.578 -7.082 -0.217 1.00 0.00 O ATOM 504 CB ASN A 37 -9.502 -9.157 1.659 1.00 0.00 C ATOM 505 CG ASN A 37 -8.292 -9.622 0.872 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.236 -8.990 0.905 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.441 -10.732 0.159 1.00 0.00 N ATOM 0 H ASN A 37 -11.416 -7.171 2.167 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.556 -7.597 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.624 -9.789 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.398 -9.281 1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.662 -11.093 -0.391 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.335 -11.223 0.161 1.00 0.00 H new ATOM 514 N VAL A 38 -8.332 -5.751 1.102 1.00 0.00 N ATOM 515 CA VAL A 38 -7.986 -4.827 0.029 1.00 0.00 C ATOM 516 C VAL A 38 -6.823 -5.359 -0.801 1.00 0.00 C ATOM 517 O VAL A 38 -6.002 -6.137 -0.314 1.00 0.00 O ATOM 518 CB VAL A 38 -7.614 -3.438 0.582 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.665 -2.959 1.572 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.238 -3.473 1.228 1.00 0.00 C ATOM 0 H VAL A 38 -7.934 -5.511 2.010 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.868 -4.734 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.582 -2.732 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.386 -1.976 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.632 -2.894 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.732 -3.663 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.992 -2.484 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.239 -4.191 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.496 -3.769 0.487 1.00 0.00 H new ATOM 530 N LYS A 39 -6.757 -4.934 -2.058 1.00 0.00 N ATOM 531 CA LYS A 39 -5.693 -5.365 -2.958 1.00 0.00 C ATOM 532 C LYS A 39 -4.747 -4.211 -3.275 1.00 0.00 C ATOM 533 O LYS A 39 -5.138 -3.234 -3.913 1.00 0.00 O ATOM 534 CB LYS A 39 -6.287 -5.922 -4.253 1.00 0.00 C ATOM 535 CG LYS A 39 -6.613 -7.404 -4.186 1.00 0.00 C ATOM 536 CD LYS A 39 -5.439 -8.254 -4.642 1.00 0.00 C ATOM 537 CE LYS A 39 -4.330 -8.278 -3.601 1.00 0.00 C ATOM 538 NZ LYS A 39 -3.348 -9.367 -3.862 1.00 0.00 N ATOM 0 H LYS A 39 -7.428 -4.291 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.125 -6.150 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.195 -5.369 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.584 -5.750 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.883 -7.672 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.481 -7.615 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.779 -9.271 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.049 -7.863 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.815 -7.318 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.765 -8.411 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.312 -10.006 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.639 -9.902 -4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.407 -8.955 -4.022 1.00 0.00 H new ATOM 552 N TRP A 40 -3.503 -4.332 -2.827 1.00 0.00 N ATOM 553 CA TRP A 40 -2.501 -3.299 -3.064 1.00 0.00 C ATOM 554 C TRP A 40 -1.769 -3.543 -4.379 1.00 0.00 C ATOM 555 O TRP A 40 -1.444 -4.681 -4.718 1.00 0.00 O ATOM 556 CB TRP A 40 -1.500 -3.255 -1.909 1.00 0.00 C ATOM 557 CG TRP A 40 -2.136 -2.976 -0.581 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.794 -3.868 0.217 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.177 -1.718 0.101 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.241 -3.240 1.354 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.875 -1.921 1.308 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.691 -0.440 -0.188 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.097 -0.894 2.221 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.913 0.578 0.719 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.610 0.347 1.912 1.00 0.00 C ATOM 0 H TRP A 40 -3.164 -5.135 -2.298 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.013 -2.339 -3.127 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.973 -4.208 -1.858 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.753 -2.488 -2.114 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.941 -4.913 -0.012 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.761 -3.684 2.110 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.151 -0.252 -1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.635 -1.070 3.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.543 1.570 0.505 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.766 1.164 2.601 1.00 0.00 H new ATOM 576 N PHE A 41 -1.513 -2.468 -5.117 1.00 0.00 N ATOM 577 CA PHE A 41 -0.819 -2.566 -6.396 1.00 0.00 C ATOM 578 C PHE A 41 0.279 -1.512 -6.501 1.00 0.00 C ATOM 579 O PHE A 41 0.086 -0.357 -6.122 1.00 0.00 O ATOM 580 CB PHE A 41 -1.809 -2.404 -7.551 1.00 0.00 C ATOM 581 CG PHE A 41 -2.952 -3.378 -7.502 1.00 0.00 C ATOM 582 CD1 PHE A 41 -4.017 -3.174 -6.639 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.961 -4.497 -8.319 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.069 -4.069 -6.591 1.00 0.00 C ATOM 585 CE2 PHE A 41 -4.011 -5.396 -8.276 1.00 0.00 C ATOM 586 CZ PHE A 41 -5.066 -5.181 -7.412 1.00 0.00 C ATOM 0 H PHE A 41 -1.776 -1.519 -4.851 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.359 -3.552 -6.457 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.206 -1.389 -7.539 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.277 -2.527 -8.495 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.025 -2.306 -5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.138 -4.669 -8.997 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.892 -3.900 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.006 -6.265 -8.917 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.888 -5.881 -7.378 1.00 0.00 H new ATOM 596 N LYS A 42 1.434 -1.919 -7.018 1.00 0.00 N ATOM 597 CA LYS A 42 2.564 -1.012 -7.176 1.00 0.00 C ATOM 598 C LYS A 42 2.721 -0.585 -8.631 1.00 0.00 C ATOM 599 O LYS A 42 3.208 -1.350 -9.463 1.00 0.00 O ATOM 600 CB LYS A 42 3.852 -1.679 -6.687 1.00 0.00 C ATOM 601 CG LYS A 42 5.116 -0.995 -7.179 1.00 0.00 C ATOM 602 CD LYS A 42 6.322 -1.381 -6.338 1.00 0.00 C ATOM 603 CE LYS A 42 7.521 -0.498 -6.646 1.00 0.00 C ATOM 604 NZ LYS A 42 8.315 -1.021 -7.792 1.00 0.00 N ATOM 0 H LYS A 42 1.611 -2.872 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 42 2.371 -0.124 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.855 -1.689 -5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.860 -2.718 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.295 -1.265 -8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.981 0.086 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.071 -1.299 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.579 -2.424 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.180 0.512 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.158 -0.430 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.123 -0.391 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.662 -1.975 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.715 -1.062 -8.640 1.00 0.00 H new ATOM 618 N ASN A 43 2.307 0.642 -8.932 1.00 0.00 N ATOM 619 CA ASN A 43 2.403 1.170 -10.288 1.00 0.00 C ATOM 620 C ASN A 43 1.535 0.363 -11.249 1.00 0.00 C ATOM 621 O ASN A 43 1.806 0.306 -12.448 1.00 0.00 O ATOM 622 CB ASN A 43 3.857 1.156 -10.761 1.00 0.00 C ATOM 623 CG ASN A 43 4.588 2.442 -10.424 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.979 3.416 -9.981 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.899 2.450 -10.634 1.00 0.00 N ATOM 0 H ASN A 43 1.902 1.289 -8.255 1.00 0.00 H new ATOM 0 HA ASN A 43 2.042 2.198 -10.277 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.377 0.315 -10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.884 0.998 -11.839 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.444 3.287 -10.427 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.362 1.619 -11.003 1.00 0.00 H new ATOM 632 N GLY A 44 0.490 -0.260 -10.713 1.00 0.00 N ATOM 633 CA GLY A 44 -0.401 -1.056 -11.537 1.00 0.00 C ATOM 634 C GLY A 44 -0.241 -2.544 -11.296 1.00 0.00 C ATOM 635 O GLY A 44 -1.192 -3.309 -11.446 1.00 0.00 O ATOM 0 H GLY A 44 0.245 -0.228 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.432 -0.767 -11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.210 -0.839 -12.588 1.00 0.00 H new ATOM 639 N GLU A 45 0.968 -2.954 -10.922 1.00 0.00 N ATOM 640 CA GLU A 45 1.249 -4.361 -10.662 1.00 0.00 C ATOM 641 C GLU A 45 0.710 -4.781 -9.298 1.00 0.00 C ATOM 642 O GLU A 45 0.599 -3.964 -8.385 1.00 0.00 O ATOM 643 CB GLU A 45 2.755 -4.624 -10.730 1.00 0.00 C ATOM 644 CG GLU A 45 3.463 -4.456 -9.396 1.00 0.00 C ATOM 645 CD GLU A 45 4.973 -4.518 -9.525 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.559 -3.577 -10.100 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.568 -5.508 -9.050 1.00 0.00 O ATOM 0 H GLU A 45 1.767 -2.333 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 45 0.749 -4.952 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.922 -5.637 -11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.201 -3.945 -11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.179 -3.500 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.128 -5.235 -8.711 1.00 0.00 H new ATOM 654 N GLU A 46 0.375 -6.061 -9.169 1.00 0.00 N ATOM 655 CA GLU A 46 -0.155 -6.589 -7.918 1.00 0.00 C ATOM 656 C GLU A 46 0.976 -6.979 -6.970 1.00 0.00 C ATOM 657 O GLU A 46 2.002 -7.510 -7.397 1.00 0.00 O ATOM 658 CB GLU A 46 -1.049 -7.801 -8.188 1.00 0.00 C ATOM 659 CG GLU A 46 -1.482 -8.531 -6.927 1.00 0.00 C ATOM 660 CD GLU A 46 -2.676 -9.437 -7.158 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.627 -9.001 -7.841 1.00 0.00 O ATOM 662 OE2 GLU A 46 -2.661 -10.580 -6.656 1.00 0.00 O ATOM 0 H GLU A 46 0.461 -6.751 -9.915 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.749 -5.807 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.936 -7.474 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.517 -8.497 -8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.648 -9.124 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.728 -7.801 -6.156 1.00 0.00 H new ATOM 669 N ILE A 47 0.780 -6.712 -5.683 1.00 0.00 N ATOM 670 CA ILE A 47 1.782 -7.035 -4.675 1.00 0.00 C ATOM 671 C ILE A 47 1.484 -8.376 -4.014 1.00 0.00 C ATOM 672 O ILE A 47 0.333 -8.683 -3.702 1.00 0.00 O ATOM 673 CB ILE A 47 1.860 -5.945 -3.590 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.270 -4.607 -4.208 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.840 -6.353 -2.499 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.302 -3.467 -3.214 1.00 0.00 C ATOM 0 H ILE A 47 -0.063 -6.273 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 47 2.741 -7.092 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 47 0.874 -5.829 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.256 -4.712 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.576 -4.359 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.884 -5.573 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.509 -7.286 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.830 -6.493 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.601 -2.550 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.311 -3.335 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.017 -3.694 -2.423 1.00 0.00 H new ATOM 688 N ILE A 48 2.529 -9.169 -3.801 1.00 0.00 N ATOM 689 CA ILE A 48 2.379 -10.476 -3.173 1.00 0.00 C ATOM 690 C ILE A 48 3.276 -10.603 -1.946 1.00 0.00 C ATOM 691 O ILE A 48 4.425 -11.037 -2.029 1.00 0.00 O ATOM 692 CB ILE A 48 2.710 -11.614 -4.157 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.868 -11.480 -5.428 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.475 -12.966 -3.500 1.00 0.00 C ATOM 695 CD1 ILE A 48 2.471 -10.548 -6.456 1.00 0.00 C ATOM 0 H ILE A 48 3.488 -8.929 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 48 1.336 -10.562 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 48 3.762 -11.543 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.739 -12.466 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.875 -11.119 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.713 -13.761 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.113 -13.059 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.430 -13.048 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.821 -10.501 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.575 -9.551 -6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.452 -10.919 -6.753 1.00 0.00 H new ATOM 707 N PRO A 49 2.739 -10.217 -0.779 1.00 0.00 N ATOM 708 CA PRO A 49 3.473 -10.280 0.488 1.00 0.00 C ATOM 709 C PRO A 49 3.701 -11.714 0.955 1.00 0.00 C ATOM 710 O PRO A 49 3.397 -12.666 0.239 1.00 0.00 O ATOM 711 CB PRO A 49 2.557 -9.539 1.466 1.00 0.00 C ATOM 712 CG PRO A 49 1.192 -9.679 0.886 1.00 0.00 C ATOM 713 CD PRO A 49 1.375 -9.690 -0.607 1.00 0.00 C ATOM 0 HA PRO A 49 4.469 -9.846 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.610 -9.973 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.842 -8.491 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.715 -10.598 1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.550 -8.854 1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.635 -10.322 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.273 -8.691 -1.032 1.00 0.00 H new ATOM 721 N GLY A 50 4.240 -11.860 2.162 1.00 0.00 N ATOM 722 CA GLY A 50 4.499 -13.181 2.704 1.00 0.00 C ATOM 723 C GLY A 50 5.642 -13.185 3.700 1.00 0.00 C ATOM 724 O GLY A 50 6.144 -12.136 4.105 1.00 0.00 O ATOM 0 H GLY A 50 4.502 -11.087 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.597 -13.555 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.729 -13.866 1.888 1.00 0.00 H new ATOM 728 N PRO A 51 6.069 -14.388 4.112 1.00 0.00 N ATOM 729 CA PRO A 51 7.163 -14.553 5.073 1.00 0.00 C ATOM 730 C PRO A 51 8.515 -14.166 4.484 1.00 0.00 C ATOM 731 O PRO A 51 9.380 -13.636 5.182 1.00 0.00 O ATOM 732 CB PRO A 51 7.129 -16.049 5.396 1.00 0.00 C ATOM 733 CG PRO A 51 6.506 -16.680 4.199 1.00 0.00 C ATOM 734 CD PRO A 51 5.517 -15.679 3.670 1.00 0.00 C ATOM 0 HA PRO A 51 7.039 -13.912 5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.131 -16.439 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.547 -16.247 6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.259 -16.919 3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.012 -17.615 4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.435 -15.730 2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.519 -15.849 4.074 1.00 0.00 H new ATOM 742 N LYS A 52 8.692 -14.433 3.195 1.00 0.00 N ATOM 743 CA LYS A 52 9.939 -14.111 2.510 1.00 0.00 C ATOM 744 C LYS A 52 9.719 -13.023 1.463 1.00 0.00 C ATOM 745 O LYS A 52 10.262 -13.092 0.360 1.00 0.00 O ATOM 746 CB LYS A 52 10.518 -15.363 1.847 1.00 0.00 C ATOM 747 CG LYS A 52 11.290 -16.255 2.802 1.00 0.00 C ATOM 748 CD LYS A 52 10.361 -17.159 3.595 1.00 0.00 C ATOM 749 CE LYS A 52 11.075 -17.791 4.780 1.00 0.00 C ATOM 750 NZ LYS A 52 12.163 -18.710 4.346 1.00 0.00 N ATOM 0 H LYS A 52 7.987 -14.872 2.603 1.00 0.00 H new ATOM 0 HA LYS A 52 10.647 -13.740 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.705 -15.938 1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.177 -15.061 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.999 -16.863 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.872 -15.638 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.506 -16.583 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.971 -17.942 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.492 -17.008 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.355 -18.341 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.625 -19.120 5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.762 -19.472 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.863 -18.180 3.789 1.00 0.00 H new ATOM 764 N SER A 53 8.922 -12.020 1.817 1.00 0.00 N ATOM 765 CA SER A 53 8.630 -10.919 0.907 1.00 0.00 C ATOM 766 C SER A 53 8.961 -9.577 1.553 1.00 0.00 C ATOM 767 O SER A 53 9.160 -9.492 2.765 1.00 0.00 O ATOM 768 CB SER A 53 7.158 -10.949 0.492 1.00 0.00 C ATOM 769 OG SER A 53 6.860 -12.120 -0.249 1.00 0.00 O ATOM 0 H SER A 53 8.467 -11.947 2.727 1.00 0.00 H new ATOM 0 HA SER A 53 9.253 -11.039 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.526 -10.906 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.928 -10.068 -0.107 1.00 0.00 H new ATOM 0 HG SER A 53 6.112 -11.941 -0.856 1.00 0.00 H new ATOM 775 N ARG A 54 9.017 -8.531 0.736 1.00 0.00 N ATOM 776 CA ARG A 54 9.324 -7.193 1.227 1.00 0.00 C ATOM 777 C ARG A 54 8.061 -6.488 1.712 1.00 0.00 C ATOM 778 O ARG A 54 8.055 -5.864 2.773 1.00 0.00 O ATOM 779 CB ARG A 54 9.993 -6.365 0.128 1.00 0.00 C ATOM 780 CG ARG A 54 11.323 -6.934 -0.339 1.00 0.00 C ATOM 781 CD ARG A 54 11.130 -7.979 -1.428 1.00 0.00 C ATOM 782 NE ARG A 54 12.400 -8.401 -2.012 1.00 0.00 N ATOM 783 CZ ARG A 54 12.521 -9.432 -2.841 1.00 0.00 C ATOM 784 NH1 ARG A 54 11.454 -10.141 -3.182 1.00 0.00 N ATOM 785 NH2 ARG A 54 13.711 -9.755 -3.331 1.00 0.00 N ATOM 0 H ARG A 54 8.854 -8.584 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 54 10.010 -7.291 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.318 -6.295 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.150 -5.350 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.953 -6.128 -0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.846 -7.380 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.616 -8.846 -1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.488 -7.573 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 54 13.240 -7.876 -1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.538 -9.895 -2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.550 -10.932 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.534 -9.212 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.803 -10.547 -3.967 1.00 0.00 H new ATOM 799 N TYR A 55 6.994 -6.592 0.928 1.00 0.00 N ATOM 800 CA TYR A 55 5.725 -5.963 1.275 1.00 0.00 C ATOM 801 C TYR A 55 4.937 -6.829 2.253 1.00 0.00 C ATOM 802 O TYR A 55 4.930 -8.055 2.147 1.00 0.00 O ATOM 803 CB TYR A 55 4.895 -5.710 0.016 1.00 0.00 C ATOM 804 CG TYR A 55 5.624 -4.912 -1.041 1.00 0.00 C ATOM 805 CD1 TYR A 55 5.682 -3.525 -0.975 1.00 0.00 C ATOM 806 CD2 TYR A 55 6.255 -5.544 -2.105 1.00 0.00 C ATOM 807 CE1 TYR A 55 6.347 -2.791 -1.938 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.924 -4.818 -3.072 1.00 0.00 C ATOM 809 CZ TYR A 55 6.966 -3.442 -2.984 1.00 0.00 C ATOM 810 OH TYR A 55 7.630 -2.715 -3.946 1.00 0.00 O ATOM 0 H TYR A 55 6.982 -7.106 0.047 1.00 0.00 H new ATOM 0 HA TYR A 55 5.941 -5.009 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.593 -6.668 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.983 -5.182 0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.199 -3.012 -0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.222 -6.621 -2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.382 -1.714 -1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.411 -5.325 -3.892 1.00 0.00 H new ATOM 0 HH TYR A 55 8.011 -3.325 -4.612 1.00 0.00 H new ATOM 820 N ARG A 56 4.273 -6.181 3.205 1.00 0.00 N ATOM 821 CA ARG A 56 3.481 -6.891 4.202 1.00 0.00 C ATOM 822 C ARG A 56 2.147 -6.189 4.437 1.00 0.00 C ATOM 823 O ARG A 56 2.100 -5.103 5.016 1.00 0.00 O ATOM 824 CB ARG A 56 4.254 -6.995 5.518 1.00 0.00 C ATOM 825 CG ARG A 56 5.659 -7.554 5.358 1.00 0.00 C ATOM 826 CD ARG A 56 6.597 -7.019 6.428 1.00 0.00 C ATOM 827 NE ARG A 56 6.214 -7.464 7.765 1.00 0.00 N ATOM 828 CZ ARG A 56 6.386 -8.707 8.203 1.00 0.00 C ATOM 829 NH1 ARG A 56 6.932 -9.621 7.414 1.00 0.00 N ATOM 830 NH2 ARG A 56 6.012 -9.036 9.432 1.00 0.00 N ATOM 0 H ARG A 56 4.268 -5.166 3.307 1.00 0.00 H new ATOM 0 HA ARG A 56 3.282 -7.894 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.315 -6.006 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.697 -7.629 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.627 -8.642 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.045 -7.295 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.614 -7.347 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.600 -5.929 6.396 1.00 0.00 H new ATOM 0 HE ARG A 56 5.792 -6.784 8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.221 -9.371 6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.063 -10.574 7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.592 -8.335 10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.144 -9.990 9.767 1.00 0.00 H new ATOM 844 N ILE A 57 1.067 -6.816 3.985 1.00 0.00 N ATOM 845 CA ILE A 57 -0.267 -6.252 4.147 1.00 0.00 C ATOM 846 C ILE A 57 -0.901 -6.706 5.457 1.00 0.00 C ATOM 847 O ILE A 57 -1.271 -7.870 5.609 1.00 0.00 O ATOM 848 CB ILE A 57 -1.191 -6.646 2.979 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.562 -6.243 1.644 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.558 -5.999 3.143 1.00 0.00 C ATOM 851 CD1 ILE A 57 -0.983 -7.123 0.488 1.00 0.00 C ATOM 0 H ILE A 57 1.089 -7.715 3.504 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.151 -5.168 4.159 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.320 -7.728 2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.832 -5.211 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.523 -6.275 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.199 -6.287 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.008 -6.331 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.448 -4.915 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.499 -6.779 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.689 -8.153 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.065 -7.072 0.367 1.00 0.00 H new ATOM 863 N ARG A 58 -1.025 -5.778 6.401 1.00 0.00 N ATOM 864 CA ARG A 58 -1.615 -6.083 7.699 1.00 0.00 C ATOM 865 C ARG A 58 -3.044 -5.554 7.784 1.00 0.00 C ATOM 866 O ARG A 58 -3.390 -4.562 7.142 1.00 0.00 O ATOM 867 CB ARG A 58 -0.769 -5.479 8.822 1.00 0.00 C ATOM 868 CG ARG A 58 -1.437 -5.538 10.186 1.00 0.00 C ATOM 869 CD ARG A 58 -0.687 -4.699 11.209 1.00 0.00 C ATOM 870 NE ARG A 58 0.415 -5.437 11.821 1.00 0.00 N ATOM 871 CZ ARG A 58 0.243 -6.460 12.651 1.00 0.00 C ATOM 872 NH1 ARG A 58 -0.980 -6.863 12.968 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.296 -7.081 13.167 1.00 0.00 N ATOM 0 H ARG A 58 -0.725 -4.809 6.291 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.639 -7.167 7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.184 -6.005 8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.547 -4.440 8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.464 -5.183 10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.483 -6.573 10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.299 -3.802 10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.378 -4.370 11.985 1.00 0.00 H new ATOM 0 HE ARG A 58 1.369 -5.151 11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.792 -6.387 12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.109 -7.649 13.606 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.238 -6.773 12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.163 -7.866 13.804 1.00 0.00 H new ATOM 887 N VAL A 59 -3.871 -6.225 8.580 1.00 0.00 N ATOM 888 CA VAL A 59 -5.262 -5.823 8.750 1.00 0.00 C ATOM 889 C VAL A 59 -5.576 -5.535 10.214 1.00 0.00 C ATOM 890 O VAL A 59 -5.473 -6.417 11.066 1.00 0.00 O ATOM 891 CB VAL A 59 -6.226 -6.907 8.233 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.671 -6.493 8.467 1.00 0.00 C ATOM 893 CG2 VAL A 59 -5.975 -7.184 6.759 1.00 0.00 C ATOM 0 H VAL A 59 -3.602 -7.049 9.117 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.403 -4.914 8.166 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.042 -7.826 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.337 -7.271 8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.840 -6.350 9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.872 -5.561 7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.665 -7.952 6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.130 -6.270 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.950 -7.528 6.623 1.00 0.00 H new ATOM 903 N GLU A 60 -5.961 -4.295 10.498 1.00 0.00 N ATOM 904 CA GLU A 60 -6.290 -3.891 11.860 1.00 0.00 C ATOM 905 C GLU A 60 -7.674 -3.251 11.918 1.00 0.00 C ATOM 906 O GLU A 60 -7.838 -2.070 11.616 1.00 0.00 O ATOM 907 CB GLU A 60 -5.241 -2.912 12.393 1.00 0.00 C ATOM 908 CG GLU A 60 -4.056 -3.592 13.058 1.00 0.00 C ATOM 909 CD GLU A 60 -3.436 -2.745 14.151 1.00 0.00 C ATOM 910 OE1 GLU A 60 -2.614 -1.863 13.823 1.00 0.00 O ATOM 911 OE2 GLU A 60 -3.771 -2.963 15.334 1.00 0.00 O ATOM 0 H GLU A 60 -6.053 -3.553 9.804 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.294 -4.784 12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.880 -2.295 11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.714 -2.241 13.110 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.378 -4.544 13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.301 -3.816 12.305 1.00 0.00 H new ATOM 918 N GLY A 61 -8.669 -4.042 12.310 1.00 0.00 N ATOM 919 CA GLY A 61 -10.026 -3.537 12.400 1.00 0.00 C ATOM 920 C GLY A 61 -10.603 -3.177 11.045 1.00 0.00 C ATOM 921 O GLY A 61 -10.777 -4.042 10.186 1.00 0.00 O ATOM 0 H GLY A 61 -8.559 -5.023 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.659 -4.288 12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.041 -2.657 13.043 1.00 0.00 H new ATOM 925 N LYS A 62 -10.901 -1.897 10.852 1.00 0.00 N ATOM 926 CA LYS A 62 -11.461 -1.423 9.592 1.00 0.00 C ATOM 927 C LYS A 62 -10.445 -0.581 8.827 1.00 0.00 C ATOM 928 O LYS A 62 -10.806 0.191 7.938 1.00 0.00 O ATOM 929 CB LYS A 62 -12.728 -0.603 9.850 1.00 0.00 C ATOM 930 CG LYS A 62 -13.696 -1.266 10.815 1.00 0.00 C ATOM 931 CD LYS A 62 -14.842 -0.338 11.180 1.00 0.00 C ATOM 932 CE LYS A 62 -15.803 -0.154 10.017 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.134 0.339 10.469 1.00 0.00 N ATOM 0 H LYS A 62 -10.764 -1.169 11.553 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.715 -2.293 8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.445 0.373 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.236 -0.427 8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.093 -2.176 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.164 -1.562 11.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.380 -0.743 12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.445 0.631 11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.378 0.551 9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.926 -1.102 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.760 0.451 9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.551 -0.346 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.021 1.256 10.946 1.00 0.00 H new ATOM 947 N LYS A 63 -9.173 -0.736 9.176 1.00 0.00 N ATOM 948 CA LYS A 63 -8.103 0.007 8.521 1.00 0.00 C ATOM 949 C LYS A 63 -6.923 -0.906 8.202 1.00 0.00 C ATOM 950 O LYS A 63 -6.524 -1.731 9.024 1.00 0.00 O ATOM 951 CB LYS A 63 -7.641 1.165 9.408 1.00 0.00 C ATOM 952 CG LYS A 63 -6.550 0.779 10.393 1.00 0.00 C ATOM 953 CD LYS A 63 -6.621 1.616 11.659 1.00 0.00 C ATOM 954 CE LYS A 63 -7.592 1.021 12.667 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.285 1.457 14.058 1.00 0.00 N ATOM 0 H LYS A 63 -8.857 -1.370 9.910 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.493 0.408 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.277 1.974 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.497 1.553 9.960 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.645 -0.277 10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.574 0.907 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.629 1.687 12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.931 2.631 11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.609 1.317 12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.553 -0.067 12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.969 1.030 14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.324 1.153 14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.347 2.493 14.119 1.00 0.00 H new ATOM 969 N HIS A 64 -6.368 -0.751 7.004 1.00 0.00 N ATOM 970 CA HIS A 64 -5.231 -1.559 6.578 1.00 0.00 C ATOM 971 C HIS A 64 -3.931 -0.767 6.681 1.00 0.00 C ATOM 972 O HIS A 64 -3.945 0.463 6.727 1.00 0.00 O ATOM 973 CB HIS A 64 -5.434 -2.045 5.142 1.00 0.00 C ATOM 974 CG HIS A 64 -6.585 -2.990 4.986 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.444 -4.276 4.508 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.903 -2.831 5.251 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.626 -4.866 4.483 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.528 -4.011 4.929 1.00 0.00 N ATOM 0 H HIS A 64 -6.687 -0.074 6.311 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.162 -2.422 7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.592 -1.183 4.494 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.523 -2.536 4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.375 -1.942 5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.821 -5.876 4.154 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.527 -4.197 5.020 1.00 0.00 H new ATOM 987 N ILE A 65 -2.811 -1.481 6.717 1.00 0.00 N ATOM 988 CA ILE A 65 -1.503 -0.844 6.814 1.00 0.00 C ATOM 989 C ILE A 65 -0.471 -1.575 5.962 1.00 0.00 C ATOM 990 O ILE A 65 -0.096 -2.710 6.260 1.00 0.00 O ATOM 991 CB ILE A 65 -1.008 -0.795 8.271 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.944 0.066 9.122 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.414 -0.258 8.330 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.074 -0.714 9.755 1.00 0.00 C ATOM 0 H ILE A 65 -2.783 -2.500 6.681 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.620 0.175 6.444 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.010 -1.808 8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.364 0.552 9.907 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.363 0.857 8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.749 -0.230 9.367 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.072 -0.908 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.440 0.748 7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.697 -0.040 10.343 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.678 -1.178 8.975 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.663 -1.487 10.404 1.00 0.00 H new ATOM 1006 N LEU A 66 -0.014 -0.917 4.902 1.00 0.00 N ATOM 1007 CA LEU A 66 0.977 -1.504 4.007 1.00 0.00 C ATOM 1008 C LEU A 66 2.385 -1.056 4.386 1.00 0.00 C ATOM 1009 O LEU A 66 2.782 0.077 4.110 1.00 0.00 O ATOM 1010 CB LEU A 66 0.679 -1.114 2.558 1.00 0.00 C ATOM 1011 CG LEU A 66 1.613 -1.701 1.499 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.448 -3.211 1.420 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.350 -1.063 0.143 1.00 0.00 C ATOM 0 H LEU A 66 -0.314 0.023 4.642 1.00 0.00 H new ATOM 0 HA LEU A 66 0.921 -2.588 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.341 -1.419 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.713 -0.027 2.481 1.00 0.00 H new ATOM 0 HG LEU A 66 2.641 -1.483 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.120 -3.611 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.687 -3.654 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.418 -3.451 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.024 -1.493 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.318 -1.250 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.520 0.012 0.207 1.00 0.00 H new ATOM 1025 N ILE A 67 3.136 -1.952 5.017 1.00 0.00 N ATOM 1026 CA ILE A 67 4.501 -1.650 5.430 1.00 0.00 C ATOM 1027 C ILE A 67 5.511 -2.170 4.413 1.00 0.00 C ATOM 1028 O ILE A 67 5.399 -3.299 3.934 1.00 0.00 O ATOM 1029 CB ILE A 67 4.819 -2.257 6.809 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.243 -1.892 7.235 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.641 -3.768 6.777 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.288 -2.875 6.755 1.00 0.00 C ATOM 0 H ILE A 67 2.822 -2.893 5.254 1.00 0.00 H new ATOM 0 HA ILE A 67 4.579 -0.565 5.493 1.00 0.00 H new ATOM 0 HB ILE A 67 4.124 -1.844 7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.485 -0.901 6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.284 -1.832 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.870 -4.182 7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.611 -4.008 6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.315 -4.198 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.273 -2.553 7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.070 -3.864 7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.275 -2.917 5.666 1.00 0.00 H new ATOM 1044 N ILE A 68 6.497 -1.341 4.089 1.00 0.00 N ATOM 1045 CA ILE A 68 7.529 -1.718 3.132 1.00 0.00 C ATOM 1046 C ILE A 68 8.907 -1.728 3.784 1.00 0.00 C ATOM 1047 O ILE A 68 9.410 -0.689 4.211 1.00 0.00 O ATOM 1048 CB ILE A 68 7.552 -0.763 1.923 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.129 -0.492 1.432 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.403 -1.345 0.804 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.031 0.674 0.474 1.00 0.00 C ATOM 0 H ILE A 68 6.603 -0.403 4.476 1.00 0.00 H new ATOM 0 HA ILE A 68 7.286 -2.723 2.786 1.00 0.00 H new ATOM 0 HB ILE A 68 7.995 0.183 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.746 -1.387 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.487 -0.300 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.409 -0.659 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.423 -1.491 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.987 -2.303 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.993 0.807 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.383 1.580 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.646 0.476 -0.404 1.00 0.00 H new ATOM 1063 N GLU A 69 9.514 -2.909 3.855 1.00 0.00 N ATOM 1064 CA GLU A 69 10.835 -3.053 4.455 1.00 0.00 C ATOM 1065 C GLU A 69 11.929 -2.694 3.453 1.00 0.00 C ATOM 1066 O GLU A 69 12.196 -3.442 2.514 1.00 0.00 O ATOM 1067 CB GLU A 69 11.038 -4.484 4.957 1.00 0.00 C ATOM 1068 CG GLU A 69 10.582 -4.697 6.391 1.00 0.00 C ATOM 1069 CD GLU A 69 10.774 -6.126 6.858 1.00 0.00 C ATOM 1070 OE1 GLU A 69 11.721 -6.785 6.380 1.00 0.00 O ATOM 1071 OE2 GLU A 69 9.977 -6.586 7.703 1.00 0.00 O ATOM 0 H GLU A 69 9.112 -3.779 3.505 1.00 0.00 H new ATOM 0 HA GLU A 69 10.900 -2.367 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.494 -5.169 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.094 -4.741 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.136 -4.027 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.529 -4.429 6.477 1.00 0.00 H new ATOM 1078 N GLY A 70 12.559 -1.541 3.662 1.00 0.00 N ATOM 1079 CA GLY A 70 13.616 -1.102 2.769 1.00 0.00 C ATOM 1080 C GLY A 70 13.084 -0.336 1.574 1.00 0.00 C ATOM 1081 O GLY A 70 13.058 -0.853 0.458 1.00 0.00 O ATOM 0 H GLY A 70 12.356 -0.904 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.314 -0.471 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.177 -1.969 2.421 1.00 0.00 H new ATOM 1085 N ALA A 71 12.658 0.901 1.808 1.00 0.00 N ATOM 1086 CA ALA A 71 12.125 1.740 0.742 1.00 0.00 C ATOM 1087 C ALA A 71 13.248 2.374 -0.071 1.00 0.00 C ATOM 1088 O ALA A 71 13.741 3.452 0.264 1.00 0.00 O ATOM 1089 CB ALA A 71 11.218 2.816 1.321 1.00 0.00 C ATOM 0 H ALA A 71 12.672 1.344 2.727 1.00 0.00 H new ATOM 0 HA ALA A 71 11.540 1.108 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.827 3.435 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.390 2.347 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.787 3.438 2.012 1.00 0.00 H new ATOM 1095 N THR A 72 13.651 1.697 -1.143 1.00 0.00 N ATOM 1096 CA THR A 72 14.718 2.193 -2.003 1.00 0.00 C ATOM 1097 C THR A 72 14.161 3.062 -3.125 1.00 0.00 C ATOM 1098 O THR A 72 12.948 3.131 -3.327 1.00 0.00 O ATOM 1099 CB THR A 72 15.526 1.036 -2.620 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.559 -0.075 -1.716 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.946 1.477 -2.940 1.00 0.00 C ATOM 0 H THR A 72 13.254 0.804 -1.436 1.00 0.00 H new ATOM 0 HA THR A 72 15.377 2.793 -1.375 1.00 0.00 H new ATOM 0 HB THR A 72 15.038 0.736 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.073 -0.807 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.497 0.643 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.919 2.303 -3.650 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.441 1.801 -2.025 1.00 0.00 H new ATOM 1109 N LYS A 73 15.053 3.725 -3.852 1.00 0.00 N ATOM 1110 CA LYS A 73 14.651 4.589 -4.956 1.00 0.00 C ATOM 1111 C LYS A 73 13.623 3.895 -5.844 1.00 0.00 C ATOM 1112 O LYS A 73 12.722 4.536 -6.384 1.00 0.00 O ATOM 1113 CB LYS A 73 15.872 4.990 -5.788 1.00 0.00 C ATOM 1114 CG LYS A 73 16.551 6.257 -5.299 1.00 0.00 C ATOM 1115 CD LYS A 73 17.552 5.963 -4.194 1.00 0.00 C ATOM 1116 CE LYS A 73 18.088 7.243 -3.572 1.00 0.00 C ATOM 1117 NZ LYS A 73 17.098 7.871 -2.654 1.00 0.00 N ATOM 0 H LYS A 73 16.060 3.681 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 73 14.195 5.485 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.594 4.173 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.565 5.129 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.059 6.743 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.799 6.956 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.077 5.354 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.379 5.379 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 73 19.004 7.024 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.350 7.948 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.867 8.827 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.233 7.294 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.501 7.931 -1.697 1.00 0.00 H new ATOM 1131 N ALA A 74 13.765 2.582 -5.990 1.00 0.00 N ATOM 1132 CA ALA A 74 12.846 1.801 -6.809 1.00 0.00 C ATOM 1133 C ALA A 74 11.453 1.767 -6.192 1.00 0.00 C ATOM 1134 O ALA A 74 10.448 1.860 -6.897 1.00 0.00 O ATOM 1135 CB ALA A 74 13.378 0.388 -6.997 1.00 0.00 C ATOM 0 H ALA A 74 14.507 2.037 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 74 12.770 2.281 -7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.682 -0.184 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.349 0.427 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.485 -0.093 -6.025 1.00 0.00 H new ATOM 1141 N ASP A 75 11.399 1.632 -4.871 1.00 0.00 N ATOM 1142 CA ASP A 75 10.128 1.586 -4.158 1.00 0.00 C ATOM 1143 C ASP A 75 9.296 2.831 -4.449 1.00 0.00 C ATOM 1144 O ASP A 75 8.067 2.795 -4.395 1.00 0.00 O ATOM 1145 CB ASP A 75 10.367 1.457 -2.653 1.00 0.00 C ATOM 1146 CG ASP A 75 10.907 0.093 -2.267 1.00 0.00 C ATOM 1147 OD1 ASP A 75 11.712 -0.467 -3.040 1.00 0.00 O ATOM 1148 OD2 ASP A 75 10.524 -0.413 -1.192 1.00 0.00 O ATOM 0 H ASP A 75 12.221 1.553 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 75 9.576 0.713 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.069 2.227 -2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.432 1.638 -2.123 1.00 0.00 H new ATOM 1153 N ALA A 76 9.976 3.932 -4.755 1.00 0.00 N ATOM 1154 CA ALA A 76 9.300 5.188 -5.055 1.00 0.00 C ATOM 1155 C ALA A 76 8.356 5.034 -6.243 1.00 0.00 C ATOM 1156 O ALA A 76 8.747 5.251 -7.390 1.00 0.00 O ATOM 1157 CB ALA A 76 10.319 6.284 -5.327 1.00 0.00 C ATOM 0 H ALA A 76 10.994 3.979 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 76 8.705 5.468 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.800 7.216 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.950 6.421 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.939 6.002 -6.178 1.00 0.00 H new ATOM 1163 N ALA A 77 7.114 4.657 -5.961 1.00 0.00 N ATOM 1164 CA ALA A 77 6.115 4.475 -7.007 1.00 0.00 C ATOM 1165 C ALA A 77 4.716 4.795 -6.491 1.00 0.00 C ATOM 1166 O ALA A 77 4.515 4.983 -5.292 1.00 0.00 O ATOM 1167 CB ALA A 77 6.168 3.054 -7.547 1.00 0.00 C ATOM 0 H ALA A 77 6.775 4.472 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 77 6.343 5.168 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.417 2.933 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.157 2.859 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.969 2.350 -6.739 1.00 0.00 H new ATOM 1173 N GLU A 78 3.752 4.854 -7.405 1.00 0.00 N ATOM 1174 CA GLU A 78 2.372 5.153 -7.041 1.00 0.00 C ATOM 1175 C GLU A 78 1.673 3.911 -6.494 1.00 0.00 C ATOM 1176 O GLU A 78 1.277 3.024 -7.251 1.00 0.00 O ATOM 1177 CB GLU A 78 1.607 5.691 -8.252 1.00 0.00 C ATOM 1178 CG GLU A 78 0.127 5.912 -7.987 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.583 6.570 -9.155 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.462 7.804 -9.304 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.258 5.849 -9.920 1.00 0.00 O ATOM 0 H GLU A 78 3.901 4.699 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 78 2.385 5.915 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.056 6.633 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.719 4.993 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.347 4.954 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.009 6.533 -7.099 1.00 0.00 H new ATOM 1188 N TYR A 79 1.525 3.855 -5.175 1.00 0.00 N ATOM 1189 CA TYR A 79 0.877 2.722 -4.526 1.00 0.00 C ATOM 1190 C TYR A 79 -0.635 2.917 -4.472 1.00 0.00 C ATOM 1191 O TYR A 79 -1.134 3.797 -3.771 1.00 0.00 O ATOM 1192 CB TYR A 79 1.429 2.534 -3.112 1.00 0.00 C ATOM 1193 CG TYR A 79 2.866 2.065 -3.080 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.914 2.967 -3.223 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.176 0.722 -2.909 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.229 2.544 -3.196 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.488 0.290 -2.878 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.511 1.204 -3.022 1.00 0.00 C ATOM 1199 OH TYR A 79 6.819 0.778 -2.994 1.00 0.00 O ATOM 0 H TYR A 79 1.845 4.581 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 79 1.089 1.829 -5.114 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.352 3.478 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.808 1.812 -2.582 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.697 4.016 -3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.378 0.003 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.032 3.258 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.711 -0.758 -2.742 1.00 0.00 H new ATOM 0 HH TYR A 79 7.385 1.430 -3.457 1.00 0.00 H new ATOM 1209 N SER A 80 -1.359 2.088 -5.218 1.00 0.00 N ATOM 1210 CA SER A 80 -2.814 2.170 -5.259 1.00 0.00 C ATOM 1211 C SER A 80 -3.445 0.845 -4.840 1.00 0.00 C ATOM 1212 O SER A 80 -2.976 -0.227 -5.223 1.00 0.00 O ATOM 1213 CB SER A 80 -3.285 2.550 -6.664 1.00 0.00 C ATOM 1214 OG SER A 80 -2.702 3.772 -7.084 1.00 0.00 O ATOM 0 H SER A 80 -0.961 1.352 -5.802 1.00 0.00 H new ATOM 0 HA SER A 80 -3.130 2.941 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.023 1.758 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.371 2.639 -6.675 1.00 0.00 H new ATOM 0 HG SER A 80 -3.017 3.992 -7.985 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.511 0.928 -4.050 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.207 -0.263 -3.579 1.00 0.00 C ATOM 1222 C VAL A 81 -6.476 -0.513 -4.386 1.00 0.00 C ATOM 1223 O VAL A 81 -6.891 0.326 -5.185 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.576 -0.144 -2.088 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.445 0.509 -1.308 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.871 0.637 -1.920 1.00 0.00 C ATOM 0 H VAL A 81 -4.911 1.807 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.524 -1.102 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.729 -1.147 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.724 0.584 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.542 -0.095 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.257 1.506 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.116 0.711 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.749 1.637 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.677 0.123 -2.444 1.00 0.00 H new ATOM 1236 N MET A 82 -7.088 -1.673 -4.172 1.00 0.00 N ATOM 1237 CA MET A 82 -8.311 -2.034 -4.880 1.00 0.00 C ATOM 1238 C MET A 82 -9.178 -2.957 -4.031 1.00 0.00 C ATOM 1239 O MET A 82 -8.735 -4.024 -3.604 1.00 0.00 O ATOM 1240 CB MET A 82 -7.976 -2.710 -6.210 1.00 0.00 C ATOM 1241 CG MET A 82 -9.025 -2.487 -7.287 1.00 0.00 C ATOM 1242 SD MET A 82 -10.296 -3.765 -7.295 1.00 0.00 S ATOM 1243 CE MET A 82 -9.424 -5.105 -8.104 1.00 0.00 C ATOM 0 H MET A 82 -6.757 -2.379 -3.514 1.00 0.00 H new ATOM 0 HA MET A 82 -8.870 -1.119 -5.077 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.016 -2.336 -6.566 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.859 -3.781 -6.044 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.494 -1.515 -7.136 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.538 -2.458 -8.262 1.00 0.00 H new ATOM 0 HE1 MET A 82 -10.029 -5.490 -8.924 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.475 -4.738 -8.495 1.00 0.00 H new ATOM 0 HE3 MET A 82 -9.236 -5.903 -7.386 1.00 0.00 H new ATOM 1253 N THR A 83 -10.417 -2.541 -3.787 1.00 0.00 N ATOM 1254 CA THR A 83 -11.345 -3.330 -2.988 1.00 0.00 C ATOM 1255 C THR A 83 -12.539 -3.784 -3.820 1.00 0.00 C ATOM 1256 O THR A 83 -12.610 -3.519 -5.020 1.00 0.00 O ATOM 1257 CB THR A 83 -11.855 -2.535 -1.771 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.527 -1.348 -2.207 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.704 -2.162 -0.848 1.00 0.00 C ATOM 0 H THR A 83 -10.801 -1.661 -4.132 1.00 0.00 H new ATOM 0 HA THR A 83 -10.796 -4.204 -2.638 1.00 0.00 H new ATOM 0 HB THR A 83 -12.553 -3.165 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.410 -1.299 -1.785 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.088 -1.601 0.004 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.213 -3.068 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.986 -1.549 -1.392 1.00 0.00 H new ATOM 1267 N THR A 84 -13.478 -4.469 -3.175 1.00 0.00 N ATOM 1268 CA THR A 84 -14.670 -4.960 -3.856 1.00 0.00 C ATOM 1269 C THR A 84 -15.442 -3.818 -4.505 1.00 0.00 C ATOM 1270 O THR A 84 -16.123 -4.009 -5.512 1.00 0.00 O ATOM 1271 CB THR A 84 -15.602 -5.710 -2.885 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.477 -5.166 -1.567 1.00 0.00 O ATOM 1273 CG2 THR A 84 -15.276 -7.195 -2.860 1.00 0.00 C ATOM 0 H THR A 84 -13.436 -4.696 -2.182 1.00 0.00 H new ATOM 0 HA THR A 84 -14.332 -5.650 -4.629 1.00 0.00 H new ATOM 0 HB THR A 84 -16.628 -5.586 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.062 -5.658 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.947 -7.703 -2.167 1.00 0.00 H new ATOM 0 HG22 THR A 84 -15.402 -7.612 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 84 -14.245 -7.336 -2.535 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.332 -2.628 -3.921 1.00 0.00 N ATOM 1282 CA GLY A 85 -16.026 -1.472 -4.457 1.00 0.00 C ATOM 1283 C GLY A 85 -15.340 -0.168 -4.101 1.00 0.00 C ATOM 1284 O GLY A 85 -15.988 0.785 -3.669 1.00 0.00 O ATOM 0 H GLY A 85 -14.775 -2.445 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.090 -1.561 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.048 -1.457 -4.077 1.00 0.00 H new ATOM 1288 N GLY A 86 -14.024 -0.124 -4.282 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.271 1.077 -3.970 1.00 0.00 C ATOM 1290 C GLY A 86 -11.842 1.011 -4.470 1.00 0.00 C ATOM 1291 O GLY A 86 -11.309 -0.073 -4.705 1.00 0.00 O ATOM 0 H GLY A 86 -13.465 -0.899 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.768 1.940 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.268 1.231 -2.891 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.220 2.174 -4.633 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.844 2.244 -5.111 1.00 0.00 C ATOM 1297 C GLN A 87 -9.167 3.525 -4.636 1.00 0.00 C ATOM 1298 O GLN A 87 -9.761 4.603 -4.671 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.807 2.170 -6.638 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.615 3.263 -7.319 1.00 0.00 C ATOM 1301 CD GLN A 87 -12.110 3.040 -7.206 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -12.661 2.124 -7.817 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -12.776 3.880 -6.422 1.00 0.00 N ATOM 0 H GLN A 87 -11.647 3.080 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.300 1.393 -4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.771 2.234 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.185 1.198 -6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.361 4.226 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.337 3.312 -8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.279 4.625 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.785 3.780 -6.308 1.00 0.00 H new ATOM 1312 N SER A 88 -7.920 3.401 -4.191 1.00 0.00 N ATOM 1313 CA SER A 88 -7.164 4.548 -3.704 1.00 0.00 C ATOM 1314 C SER A 88 -5.778 4.594 -4.340 1.00 0.00 C ATOM 1315 O SER A 88 -5.268 3.581 -4.818 1.00 0.00 O ATOM 1316 CB SER A 88 -7.037 4.494 -2.181 1.00 0.00 C ATOM 1317 OG SER A 88 -6.583 5.732 -1.662 1.00 0.00 O ATOM 0 H SER A 88 -7.412 2.517 -4.158 1.00 0.00 H new ATOM 0 HA SER A 88 -7.704 5.453 -3.984 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.003 4.244 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.344 3.702 -1.899 1.00 0.00 H new ATOM 0 HG SER A 88 -7.234 6.434 -1.873 1.00 0.00 H new ATOM 1323 N SER A 89 -5.173 5.778 -4.342 1.00 0.00 N ATOM 1324 CA SER A 89 -3.848 5.959 -4.923 1.00 0.00 C ATOM 1325 C SER A 89 -3.023 6.943 -4.098 1.00 0.00 C ATOM 1326 O SER A 89 -3.561 7.886 -3.518 1.00 0.00 O ATOM 1327 CB SER A 89 -3.963 6.455 -6.365 1.00 0.00 C ATOM 1328 OG SER A 89 -4.869 7.541 -6.460 1.00 0.00 O ATOM 0 H SER A 89 -5.580 6.626 -3.948 1.00 0.00 H new ATOM 0 HA SER A 89 -3.341 4.994 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.982 6.763 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.298 5.641 -7.007 1.00 0.00 H new ATOM 0 HG SER A 89 -4.924 7.841 -7.391 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.715 6.715 -4.052 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.815 7.582 -3.301 1.00 0.00 C ATOM 1336 C ALA A 90 0.577 7.599 -3.923 1.00 0.00 C ATOM 1337 O ALA A 90 0.961 6.673 -4.638 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.740 7.134 -1.849 1.00 0.00 C ATOM 0 H ALA A 90 -1.255 5.938 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.213 8.596 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.065 7.790 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.733 7.180 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.368 6.110 -1.803 1.00 0.00 H new ATOM 1344 N LYS A 91 1.330 8.659 -3.648 1.00 0.00 N ATOM 1345 CA LYS A 91 2.680 8.798 -4.181 1.00 0.00 C ATOM 1346 C LYS A 91 3.720 8.623 -3.079 1.00 0.00 C ATOM 1347 O LYS A 91 3.555 9.131 -1.969 1.00 0.00 O ATOM 1348 CB LYS A 91 2.850 10.166 -4.845 1.00 0.00 C ATOM 1349 CG LYS A 91 2.289 10.233 -6.254 1.00 0.00 C ATOM 1350 CD LYS A 91 2.788 11.461 -6.996 1.00 0.00 C ATOM 1351 CE LYS A 91 4.121 11.195 -7.679 1.00 0.00 C ATOM 1352 NZ LYS A 91 5.271 11.426 -6.761 1.00 0.00 N ATOM 0 H LYS A 91 1.028 9.435 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 91 2.832 8.018 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.359 10.922 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.910 10.417 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.573 9.335 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.200 10.250 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.051 11.763 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.895 12.291 -6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.145 10.167 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.217 11.841 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.992 11.997 -7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.942 11.930 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.682 10.512 -6.483 1.00 0.00 H new ATOM 1366 N LEU A 92 4.791 7.903 -3.391 1.00 0.00 N ATOM 1367 CA LEU A 92 5.860 7.662 -2.428 1.00 0.00 C ATOM 1368 C LEU A 92 7.185 8.222 -2.933 1.00 0.00 C ATOM 1369 O LEU A 92 7.546 8.037 -4.095 1.00 0.00 O ATOM 1370 CB LEU A 92 5.997 6.163 -2.153 1.00 0.00 C ATOM 1371 CG LEU A 92 6.937 5.774 -1.012 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.409 6.293 0.316 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.119 4.264 -0.962 1.00 0.00 C ATOM 0 H LEU A 92 4.943 7.475 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 92 5.602 8.173 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.007 5.762 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.344 5.677 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 92 7.909 6.231 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.092 6.006 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.332 7.380 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.425 5.866 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.791 4.005 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.152 3.786 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.544 3.917 -1.904 1.00 0.00 H new ATOM 1385 N SER A 93 7.907 8.906 -2.052 1.00 0.00 N ATOM 1386 CA SER A 93 9.193 9.495 -2.409 1.00 0.00 C ATOM 1387 C SER A 93 10.304 8.956 -1.513 1.00 0.00 C ATOM 1388 O SER A 93 10.115 8.775 -0.310 1.00 0.00 O ATOM 1389 CB SER A 93 9.128 11.019 -2.300 1.00 0.00 C ATOM 1390 OG SER A 93 9.477 11.453 -0.997 1.00 0.00 O ATOM 0 H SER A 93 7.624 9.066 -1.085 1.00 0.00 H new ATOM 0 HA SER A 93 9.417 9.222 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.803 11.468 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.122 11.361 -2.543 1.00 0.00 H new ATOM 0 HG SER A 93 10.270 12.027 -1.045 1.00 0.00 H new ATOM 1396 N VAL A 94 11.466 8.703 -2.108 1.00 0.00 N ATOM 1397 CA VAL A 94 12.609 8.187 -1.366 1.00 0.00 C ATOM 1398 C VAL A 94 13.841 9.060 -1.577 1.00 0.00 C ATOM 1399 O VAL A 94 14.336 9.192 -2.697 1.00 0.00 O ATOM 1400 CB VAL A 94 12.941 6.741 -1.780 1.00 0.00 C ATOM 1401 CG1 VAL A 94 14.052 6.177 -0.907 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.698 5.868 -1.704 1.00 0.00 C ATOM 0 H VAL A 94 11.640 8.847 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 94 12.334 8.201 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 94 13.291 6.748 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.273 5.155 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.947 6.790 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.734 6.182 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.950 4.850 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.317 5.866 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.935 6.262 -2.375 1.00 0.00 H new ATOM 1412 N ASP A 95 14.332 9.653 -0.495 1.00 0.00 N ATOM 1413 CA ASP A 95 15.508 10.513 -0.561 1.00 0.00 C ATOM 1414 C ASP A 95 16.645 9.943 0.281 1.00 0.00 C ATOM 1415 O ASP A 95 16.423 9.117 1.167 1.00 0.00 O ATOM 1416 CB ASP A 95 15.162 11.924 -0.084 1.00 0.00 C ATOM 1417 CG ASP A 95 16.009 12.987 -0.755 1.00 0.00 C ATOM 1418 OD1 ASP A 95 16.226 12.885 -1.981 1.00 0.00 O ATOM 1419 OD2 ASP A 95 16.457 13.919 -0.055 1.00 0.00 O ATOM 0 H ASP A 95 13.934 9.554 0.439 1.00 0.00 H new ATOM 0 HA ASP A 95 15.836 10.559 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.109 12.124 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.299 11.983 0.996 1.00 0.00 H new ATOM 1424 N LEU A 96 17.864 10.388 -0.003 1.00 0.00 N ATOM 1425 CA LEU A 96 19.038 9.922 0.727 1.00 0.00 C ATOM 1426 C LEU A 96 19.298 10.792 1.953 1.00 0.00 C ATOM 1427 O LEU A 96 19.564 11.988 1.834 1.00 0.00 O ATOM 1428 CB LEU A 96 20.266 9.927 -0.185 1.00 0.00 C ATOM 1429 CG LEU A 96 20.136 9.139 -1.489 1.00 0.00 C ATOM 1430 CD1 LEU A 96 19.617 10.034 -2.604 1.00 0.00 C ATOM 1431 CD2 LEU A 96 21.473 8.523 -1.876 1.00 0.00 C ATOM 0 H LEU A 96 18.065 11.071 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 96 18.846 8.903 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 96 20.507 10.961 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 96 21.111 9.527 0.375 1.00 0.00 H new ATOM 0 HG LEU A 96 19.419 8.333 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 96 19.531 9.456 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 96 18.638 10.427 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 96 20.310 10.861 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 96 21.361 7.966 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 96 22.212 9.313 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 96 21.805 7.848 -1.087 1.00 0.00 H new ATOM 1443 N LYS A 97 19.222 10.182 3.131 1.00 0.00 N ATOM 1444 CA LYS A 97 19.452 10.899 4.380 1.00 0.00 C ATOM 1445 C LYS A 97 20.824 11.566 4.380 1.00 0.00 C ATOM 1446 O LYS A 97 20.948 12.752 4.686 1.00 0.00 O ATOM 1447 CB LYS A 97 19.339 9.942 5.569 1.00 0.00 C ATOM 1448 CG LYS A 97 18.938 10.627 6.865 1.00 0.00 C ATOM 1449 CD LYS A 97 18.499 9.620 7.915 1.00 0.00 C ATOM 1450 CE LYS A 97 17.042 9.224 7.733 1.00 0.00 C ATOM 1451 NZ LYS A 97 16.867 8.250 6.620 1.00 0.00 N ATOM 0 H LYS A 97 19.003 9.193 3.247 1.00 0.00 H new ATOM 0 HA LYS A 97 18.691 11.674 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.607 9.169 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.296 9.441 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.778 11.208 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.127 11.329 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.129 8.732 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.640 10.044 8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.665 8.789 8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.446 10.114 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.031 7.659 6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.737 8.765 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.710 7.645 6.552 1.00 0.00 H new ATOM 1465 N SER A 98 21.851 10.797 4.033 1.00 0.00 N ATOM 1466 CA SER A 98 23.214 11.313 3.994 1.00 0.00 C ATOM 1467 C SER A 98 23.722 11.399 2.559 1.00 0.00 C ATOM 1468 O SER A 98 23.955 10.380 1.909 1.00 0.00 O ATOM 1469 CB SER A 98 24.142 10.424 4.824 1.00 0.00 C ATOM 1470 OG SER A 98 25.499 10.783 4.632 1.00 0.00 O ATOM 0 H SER A 98 21.765 9.814 3.775 1.00 0.00 H new ATOM 0 HA SER A 98 23.208 12.317 4.419 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.886 10.511 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.996 9.380 4.545 1.00 0.00 H new ATOM 0 HG SER A 98 26.071 10.201 5.174 1.00 0.00 H new ATOM 1476 N GLY A 99 23.893 12.623 2.070 1.00 0.00 N ATOM 1477 CA GLY A 99 24.373 12.821 0.714 1.00 0.00 C ATOM 1478 C GLY A 99 24.329 14.275 0.290 1.00 0.00 C ATOM 1479 O GLY A 99 24.317 15.186 1.118 1.00 0.00 O ATOM 0 H GLY A 99 23.708 13.482 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 99 25.397 12.454 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 99 23.769 12.227 0.028 1.00 0.00 H new ATOM 1483 N PRO A 100 24.306 14.510 -1.031 1.00 0.00 N ATOM 1484 CA PRO A 100 24.265 15.863 -1.594 1.00 0.00 C ATOM 1485 C PRO A 100 22.927 16.552 -1.349 1.00 0.00 C ATOM 1486 O PRO A 100 21.882 15.902 -1.309 1.00 0.00 O ATOM 1487 CB PRO A 100 24.481 15.631 -3.091 1.00 0.00 C ATOM 1488 CG PRO A 100 24.006 14.239 -3.331 1.00 0.00 C ATOM 1489 CD PRO A 100 24.319 13.473 -2.076 1.00 0.00 C ATOM 0 HA PRO A 100 25.009 16.517 -1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 100 23.919 16.349 -3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 100 25.531 15.743 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 100 22.937 14.222 -3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 100 24.508 13.798 -4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 100 23.577 12.698 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 100 25.288 12.978 -2.139 1.00 0.00 H new ATOM 1497 N SER A 101 22.966 17.870 -1.186 1.00 0.00 N ATOM 1498 CA SER A 101 21.756 18.647 -0.942 1.00 0.00 C ATOM 1499 C SER A 101 21.231 19.257 -2.238 1.00 0.00 C ATOM 1500 O SER A 101 21.937 20.003 -2.916 1.00 0.00 O ATOM 1501 CB SER A 101 22.031 19.751 0.080 1.00 0.00 C ATOM 1502 OG SER A 101 22.791 20.801 -0.495 1.00 0.00 O ATOM 0 H SER A 101 23.823 18.423 -1.218 1.00 0.00 H new ATOM 0 HA SER A 101 20.996 17.974 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 101 21.087 20.145 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 101 22.567 19.335 0.934 1.00 0.00 H new ATOM 0 HG SER A 101 22.751 20.737 -1.472 1.00 0.00 H new ATOM 1508 N SER A 102 19.987 18.933 -2.575 1.00 0.00 N ATOM 1509 CA SER A 102 19.367 19.445 -3.792 1.00 0.00 C ATOM 1510 C SER A 102 18.696 20.791 -3.534 1.00 0.00 C ATOM 1511 O SER A 102 18.235 21.066 -2.427 1.00 0.00 O ATOM 1512 CB SER A 102 18.341 18.445 -4.326 1.00 0.00 C ATOM 1513 OG SER A 102 18.938 17.182 -4.569 1.00 0.00 O ATOM 0 H SER A 102 19.389 18.319 -2.023 1.00 0.00 H new ATOM 0 HA SER A 102 20.149 19.585 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 102 17.528 18.335 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 102 17.902 18.827 -5.248 1.00 0.00 H new ATOM 0 HG SER A 102 18.261 16.560 -4.908 1.00 0.00 H new ATOM 1519 N GLY A 103 18.645 21.627 -4.567 1.00 0.00 N ATOM 1520 CA GLY A 103 18.029 22.934 -4.433 1.00 0.00 C ATOM 1521 C GLY A 103 18.289 23.823 -5.633 1.00 0.00 C ATOM 1522 O GLY A 103 19.440 24.093 -5.976 1.00 0.00 O ATOM 0 H GLY A 103 19.019 21.422 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 103 16.954 22.814 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 103 18.409 23.421 -3.535 1.00 0.00 H new TER 1526 GLY A 103