USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 771 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 Single : A 1 GLY N :NH3+ -107:sc= 0.059 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.0408 (180deg=-0.331) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0673 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.24 K(o=-3.2,f=-8.4!) USER MOD Single : A 19 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.78) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 164:sc= -0.134 (180deg=-1.06) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00311 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0.445 (180deg=0.408) USER MOD Single : A 43 SER OG : rot 50:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.0939 (180deg=-0.532) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.252 USER MOD Single : A 57 TYR OH : rot -64:sc= 1.29 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00928 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -6.07! C(o=-7.5!,f=-6.1!) USER MOD Single : A 74 GLN : amide:sc= -0.45 K(o=-0.45,f=-5.1!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot -173:sc= 0.0819 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.38) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.777 -3.751 -24.729 1.00 0.00 N ATOM 2 CA GLY A 1 -2.674 -2.968 -23.511 1.00 0.00 C ATOM 3 C GLY A 1 -2.924 -1.492 -23.749 1.00 0.00 C ATOM 4 O GLY A 1 -2.894 -1.025 -24.887 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.657 -4.305 -24.712 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.785 -3.114 -25.551 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.963 -4.395 -24.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.391 -3.342 -22.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.682 -3.101 -23.080 1.00 0.00 H new ATOM 8 N SER A 2 -3.172 -0.755 -22.671 1.00 0.00 N ATOM 9 CA SER A 2 -3.433 0.677 -22.767 1.00 0.00 C ATOM 10 C SER A 2 -2.372 1.475 -22.015 1.00 0.00 C ATOM 11 O SER A 2 -2.394 1.553 -20.787 1.00 0.00 O ATOM 12 CB SER A 2 -4.821 1.002 -22.212 1.00 0.00 C ATOM 13 OG SER A 2 -5.835 0.350 -22.958 1.00 0.00 O ATOM 0 H SER A 2 -3.198 -1.126 -21.721 1.00 0.00 H new ATOM 0 HA SER A 2 -3.395 0.958 -23.819 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.879 0.695 -21.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.983 2.080 -22.237 1.00 0.00 H new ATOM 0 HG SER A 2 -6.712 0.573 -22.582 1.00 0.00 H new ATOM 19 N SER A 3 -1.445 2.065 -22.763 1.00 0.00 N ATOM 20 CA SER A 3 -0.372 2.854 -22.168 1.00 0.00 C ATOM 21 C SER A 3 -0.479 4.317 -22.586 1.00 0.00 C ATOM 22 O SER A 3 -0.816 4.625 -23.728 1.00 0.00 O ATOM 23 CB SER A 3 0.990 2.292 -22.578 1.00 0.00 C ATOM 24 OG SER A 3 2.040 2.937 -21.877 1.00 0.00 O ATOM 0 H SER A 3 -1.415 2.012 -23.781 1.00 0.00 H new ATOM 0 HA SER A 3 -0.469 2.796 -21.084 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.020 1.221 -22.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.132 2.421 -23.651 1.00 0.00 H new ATOM 0 HG SER A 3 2.900 2.559 -22.156 1.00 0.00 H new ATOM 30 N GLY A 4 -0.188 5.216 -21.650 1.00 0.00 N ATOM 31 CA GLY A 4 -0.256 6.637 -21.940 1.00 0.00 C ATOM 32 C GLY A 4 -0.729 7.449 -20.750 1.00 0.00 C ATOM 33 O GLY A 4 -0.176 8.508 -20.453 1.00 0.00 O ATOM 0 H GLY A 4 0.093 4.986 -20.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.728 6.989 -22.248 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.931 6.802 -22.780 1.00 0.00 H new ATOM 37 N SER A 5 -1.756 6.953 -20.067 1.00 0.00 N ATOM 38 CA SER A 5 -2.306 7.642 -18.906 1.00 0.00 C ATOM 39 C SER A 5 -1.311 7.639 -17.750 1.00 0.00 C ATOM 40 O SER A 5 -0.609 6.653 -17.522 1.00 0.00 O ATOM 41 CB SER A 5 -3.615 6.983 -18.468 1.00 0.00 C ATOM 42 OG SER A 5 -3.368 5.820 -17.696 1.00 0.00 O ATOM 0 H SER A 5 -2.224 6.076 -20.298 1.00 0.00 H new ATOM 0 HA SER A 5 -2.504 8.676 -19.189 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.205 7.691 -17.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.206 6.722 -19.346 1.00 0.00 H new ATOM 0 HG SER A 5 -4.221 5.419 -17.427 1.00 0.00 H new ATOM 48 N SER A 6 -1.255 8.750 -17.023 1.00 0.00 N ATOM 49 CA SER A 6 -0.343 8.879 -15.892 1.00 0.00 C ATOM 50 C SER A 6 -0.561 7.752 -14.887 1.00 0.00 C ATOM 51 O SER A 6 0.386 7.250 -14.284 1.00 0.00 O ATOM 52 CB SER A 6 -0.534 10.233 -15.207 1.00 0.00 C ATOM 53 OG SER A 6 0.165 10.285 -13.976 1.00 0.00 O ATOM 0 H SER A 6 -1.830 9.574 -17.197 1.00 0.00 H new ATOM 0 HA SER A 6 0.677 8.813 -16.270 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.181 11.029 -15.863 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.596 10.410 -15.034 1.00 0.00 H new ATOM 0 HG SER A 6 0.028 11.161 -13.559 1.00 0.00 H new ATOM 59 N GLY A 7 -1.820 7.360 -14.712 1.00 0.00 N ATOM 60 CA GLY A 7 -2.142 6.296 -13.779 1.00 0.00 C ATOM 61 C GLY A 7 -1.420 5.003 -14.103 1.00 0.00 C ATOM 62 O GLY A 7 -1.936 4.166 -14.843 1.00 0.00 O ATOM 0 H GLY A 7 -2.622 7.760 -15.199 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.881 6.611 -12.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.218 6.121 -13.790 1.00 0.00 H new ATOM 66 N GLN A 8 -0.223 4.840 -13.548 1.00 0.00 N ATOM 67 CA GLN A 8 0.571 3.641 -13.785 1.00 0.00 C ATOM 68 C GLN A 8 0.613 2.761 -12.540 1.00 0.00 C ATOM 69 O GLN A 8 0.604 3.260 -11.413 1.00 0.00 O ATOM 70 CB GLN A 8 1.993 4.019 -14.204 1.00 0.00 C ATOM 71 CG GLN A 8 2.742 4.826 -13.156 1.00 0.00 C ATOM 72 CD GLN A 8 3.871 5.646 -13.748 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.924 5.112 -14.099 1.00 0.00 O ATOM 74 NE2 GLN A 8 3.659 6.952 -13.862 1.00 0.00 N ATOM 0 H GLN A 8 0.217 5.523 -12.932 1.00 0.00 H new ATOM 0 HA GLN A 8 0.100 3.078 -14.591 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.553 3.109 -14.419 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.950 4.593 -15.130 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.044 5.490 -12.647 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.146 4.150 -12.402 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.772 7.353 -13.559 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.384 7.554 -14.253 1.00 0.00 H new ATOM 83 N LEU A 9 0.658 1.450 -12.749 1.00 0.00 N ATOM 84 CA LEU A 9 0.700 0.500 -11.643 1.00 0.00 C ATOM 85 C LEU A 9 2.122 0.344 -11.113 1.00 0.00 C ATOM 86 O LEU A 9 3.075 0.234 -11.886 1.00 0.00 O ATOM 87 CB LEU A 9 0.159 -0.859 -12.091 1.00 0.00 C ATOM 88 CG LEU A 9 -1.348 -1.065 -11.936 1.00 0.00 C ATOM 89 CD1 LEU A 9 -2.074 -0.680 -13.215 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.653 -2.508 -11.561 1.00 0.00 C ATOM 0 H LEU A 9 0.666 1.021 -13.674 1.00 0.00 H new ATOM 0 HA LEU A 9 0.073 0.887 -10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.419 -1.004 -13.140 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.672 -1.636 -11.525 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.703 -0.419 -11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.145 -0.833 -13.086 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.882 0.369 -13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.716 -1.299 -14.037 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.730 -2.636 -11.455 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.284 -3.173 -12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.164 -2.750 -10.617 1.00 0.00 H new ATOM 102 N LEU A 10 2.258 0.334 -9.792 1.00 0.00 N ATOM 103 CA LEU A 10 3.564 0.189 -9.158 1.00 0.00 C ATOM 104 C LEU A 10 3.696 -1.176 -8.489 1.00 0.00 C ATOM 105 O LEU A 10 2.728 -1.712 -7.949 1.00 0.00 O ATOM 106 CB LEU A 10 3.778 1.298 -8.126 1.00 0.00 C ATOM 107 CG LEU A 10 3.076 2.626 -8.413 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.452 3.665 -7.368 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.423 3.122 -9.809 1.00 0.00 C ATOM 0 H LEU A 10 1.480 0.425 -9.139 1.00 0.00 H new ATOM 0 HA LEU A 10 4.327 0.269 -9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.441 0.934 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.848 1.486 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 10 1.999 2.464 -8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.943 4.603 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.153 3.313 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.530 3.824 -7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.915 4.068 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.500 3.268 -9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.103 2.386 -10.547 1.00 0.00 H new ATOM 121 N THR A 11 4.902 -1.734 -8.528 1.00 0.00 N ATOM 122 CA THR A 11 5.162 -3.035 -7.926 1.00 0.00 C ATOM 123 C THR A 11 5.705 -2.886 -6.509 1.00 0.00 C ATOM 124 O THR A 11 6.843 -2.458 -6.311 1.00 0.00 O ATOM 125 CB THR A 11 6.163 -3.852 -8.764 1.00 0.00 C ATOM 126 OG1 THR A 11 5.731 -3.906 -10.128 1.00 0.00 O ATOM 127 CG2 THR A 11 6.303 -5.264 -8.215 1.00 0.00 C ATOM 0 H THR A 11 5.714 -1.304 -8.971 1.00 0.00 H new ATOM 0 HA THR A 11 4.210 -3.564 -7.894 1.00 0.00 H new ATOM 0 HB THR A 11 7.134 -3.360 -8.710 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.374 -4.426 -10.654 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.015 -5.822 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.660 -5.221 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.334 -5.763 -8.242 1.00 0.00 H new ATOM 135 N LEU A 12 4.886 -3.244 -5.526 1.00 0.00 N ATOM 136 CA LEU A 12 5.285 -3.151 -4.126 1.00 0.00 C ATOM 137 C LEU A 12 4.989 -4.452 -3.388 1.00 0.00 C ATOM 138 O LEU A 12 4.237 -5.297 -3.874 1.00 0.00 O ATOM 139 CB LEU A 12 4.561 -1.988 -3.445 1.00 0.00 C ATOM 140 CG LEU A 12 4.525 -0.672 -4.222 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.279 0.124 -3.867 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.779 0.145 -3.945 1.00 0.00 C ATOM 0 H LEU A 12 3.942 -3.601 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 12 6.360 -2.972 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.535 -2.294 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.036 -1.805 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 12 4.493 -0.902 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.271 1.057 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.392 -0.458 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.280 0.344 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.736 1.078 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.842 0.365 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.658 -0.423 -4.251 1.00 0.00 H new ATOM 154 N LYS A 13 5.582 -4.606 -2.209 1.00 0.00 N ATOM 155 CA LYS A 13 5.380 -5.802 -1.400 1.00 0.00 C ATOM 156 C LYS A 13 4.520 -5.494 -0.178 1.00 0.00 C ATOM 157 O LYS A 13 4.822 -4.579 0.589 1.00 0.00 O ATOM 158 CB LYS A 13 6.727 -6.378 -0.957 1.00 0.00 C ATOM 159 CG LYS A 13 7.730 -6.517 -2.089 1.00 0.00 C ATOM 160 CD LYS A 13 7.295 -7.570 -3.094 1.00 0.00 C ATOM 161 CE LYS A 13 7.464 -8.975 -2.538 1.00 0.00 C ATOM 162 NZ LYS A 13 8.898 -9.322 -2.335 1.00 0.00 N ATOM 0 H LYS A 13 6.207 -3.916 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 13 4.860 -6.540 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.151 -5.737 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.564 -7.356 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.846 -5.558 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.705 -6.783 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.252 -7.408 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.880 -7.466 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.933 -9.057 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.010 -9.693 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.997 -10.354 -2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.455 -8.984 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.244 -8.871 -1.464 1.00 0.00 H new ATOM 176 N ILE A 14 3.451 -6.263 -0.003 1.00 0.00 N ATOM 177 CA ILE A 14 2.550 -6.073 1.127 1.00 0.00 C ATOM 178 C ILE A 14 2.991 -6.905 2.327 1.00 0.00 C ATOM 179 O ILE A 14 3.139 -8.123 2.231 1.00 0.00 O ATOM 180 CB ILE A 14 1.102 -6.447 0.761 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.495 -5.386 -0.160 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.262 -6.605 2.020 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.781 -5.625 -1.626 1.00 0.00 C ATOM 0 H ILE A 14 3.187 -7.024 -0.629 1.00 0.00 H new ATOM 0 HA ILE A 14 2.588 -5.015 1.387 1.00 0.00 H new ATOM 0 HB ILE A 14 1.111 -7.399 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.584 -5.359 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.882 -4.407 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.759 -6.869 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.685 -7.392 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.257 -5.666 2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.321 -4.835 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.858 -5.623 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.370 -6.589 -1.924 1.00 0.00 H new ATOM 195 N LYS A 15 3.197 -6.239 3.458 1.00 0.00 N ATOM 196 CA LYS A 15 3.617 -6.915 4.679 1.00 0.00 C ATOM 197 C LYS A 15 2.776 -6.463 5.868 1.00 0.00 C ATOM 198 O LYS A 15 3.038 -5.417 6.464 1.00 0.00 O ATOM 199 CB LYS A 15 5.098 -6.642 4.954 1.00 0.00 C ATOM 200 CG LYS A 15 5.689 -7.529 6.036 1.00 0.00 C ATOM 201 CD LYS A 15 7.006 -6.975 6.553 1.00 0.00 C ATOM 202 CE LYS A 15 7.322 -7.497 7.946 1.00 0.00 C ATOM 203 NZ LYS A 15 8.385 -6.694 8.612 1.00 0.00 N ATOM 0 H LYS A 15 3.080 -5.230 3.554 1.00 0.00 H new ATOM 0 HA LYS A 15 3.471 -7.986 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.662 -6.783 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.219 -5.599 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.982 -7.619 6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.846 -8.532 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.810 -7.248 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.961 -5.886 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.418 -7.478 8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.640 -8.537 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.571 -7.082 9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.256 -6.732 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.071 -5.706 8.698 1.00 0.00 H new ATOM 217 N CYS A 16 1.768 -7.257 6.210 1.00 0.00 N ATOM 218 CA CYS A 16 0.889 -6.939 7.330 1.00 0.00 C ATOM 219 C CYS A 16 1.657 -6.964 8.648 1.00 0.00 C ATOM 220 O CYS A 16 2.003 -8.031 9.156 1.00 0.00 O ATOM 221 CB CYS A 16 -0.278 -7.925 7.386 1.00 0.00 C ATOM 222 SG CYS A 16 -1.451 -7.759 6.021 1.00 0.00 S ATOM 0 H CYS A 16 1.539 -8.126 5.728 1.00 0.00 H new ATOM 0 HA CYS A 16 0.497 -5.933 7.178 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.118 -8.940 7.389 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.811 -7.788 8.327 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.400 -8.637 6.155 1.00 0.00 H new ATOM 228 N SER A 17 1.921 -5.782 9.196 1.00 0.00 N ATOM 229 CA SER A 17 2.653 -5.669 10.452 1.00 0.00 C ATOM 230 C SER A 17 1.880 -6.326 11.592 1.00 0.00 C ATOM 231 O SER A 17 2.442 -6.626 12.645 1.00 0.00 O ATOM 232 CB SER A 17 2.917 -4.198 10.782 1.00 0.00 C ATOM 233 OG SER A 17 3.885 -4.072 11.809 1.00 0.00 O ATOM 0 H SER A 17 1.639 -4.890 8.790 1.00 0.00 H new ATOM 0 HA SER A 17 3.606 -6.185 10.337 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.261 -3.677 9.888 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.988 -3.719 11.092 1.00 0.00 H new ATOM 0 HG SER A 17 4.037 -3.123 12.000 1.00 0.00 H new ATOM 239 N ASN A 18 0.588 -6.548 11.373 1.00 0.00 N ATOM 240 CA ASN A 18 -0.263 -7.169 12.381 1.00 0.00 C ATOM 241 C ASN A 18 -0.297 -8.684 12.205 1.00 0.00 C ATOM 242 O ASN A 18 -0.850 -9.403 13.037 1.00 0.00 O ATOM 243 CB ASN A 18 -1.682 -6.603 12.300 1.00 0.00 C ATOM 244 CG ASN A 18 -1.833 -5.309 13.075 1.00 0.00 C ATOM 245 OD1 ASN A 18 -2.037 -4.243 12.493 1.00 0.00 O ATOM 246 ND2 ASN A 18 -1.733 -5.396 14.397 1.00 0.00 N ATOM 0 H ASN A 18 0.108 -6.307 10.506 1.00 0.00 H new ATOM 0 HA ASN A 18 0.155 -6.944 13.362 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.942 -6.430 11.256 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.387 -7.339 12.687 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.826 -4.558 14.972 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.563 -6.300 14.837 1.00 0.00 H new ATOM 253 N GLN A 19 0.299 -9.162 11.117 1.00 0.00 N ATOM 254 CA GLN A 19 0.336 -10.591 10.832 1.00 0.00 C ATOM 255 C GLN A 19 1.747 -11.036 10.460 1.00 0.00 C ATOM 256 O GLN A 19 2.137 -11.036 9.293 1.00 0.00 O ATOM 257 CB GLN A 19 -0.634 -10.933 9.699 1.00 0.00 C ATOM 258 CG GLN A 19 -1.958 -10.192 9.788 1.00 0.00 C ATOM 259 CD GLN A 19 -2.781 -10.611 10.990 1.00 0.00 C ATOM 260 OE1 GLN A 19 -3.216 -9.774 11.782 1.00 0.00 O ATOM 261 NE2 GLN A 19 -3.000 -11.913 11.134 1.00 0.00 N ATOM 0 H GLN A 19 0.763 -8.580 10.419 1.00 0.00 H new ATOM 0 HA GLN A 19 0.032 -11.123 11.734 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.161 -10.702 8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.826 -12.006 9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.767 -9.120 9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.532 -10.371 8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.621 -12.572 10.454 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.547 -12.254 11.924 1.00 0.00 H new ATOM 270 N PRO A 20 2.533 -11.423 11.476 1.00 0.00 N ATOM 271 CA PRO A 20 3.913 -11.877 11.281 1.00 0.00 C ATOM 272 C PRO A 20 3.984 -13.230 10.581 1.00 0.00 C ATOM 273 O PRO A 20 4.919 -13.499 9.827 1.00 0.00 O ATOM 274 CB PRO A 20 4.456 -11.984 12.708 1.00 0.00 C ATOM 275 CG PRO A 20 3.252 -12.205 13.557 1.00 0.00 C ATOM 276 CD PRO A 20 2.134 -11.448 12.894 1.00 0.00 C ATOM 0 HA PRO A 20 4.480 -11.198 10.645 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.163 -12.808 12.802 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.984 -11.076 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.015 -13.266 13.630 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.419 -11.845 14.572 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.174 -11.946 13.033 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.033 -10.442 13.301 1.00 0.00 H new ATOM 284 N GLU A 21 2.991 -14.076 10.836 1.00 0.00 N ATOM 285 CA GLU A 21 2.944 -15.401 10.229 1.00 0.00 C ATOM 286 C GLU A 21 2.579 -15.310 8.750 1.00 0.00 C ATOM 287 O GLU A 21 3.121 -16.040 7.920 1.00 0.00 O ATOM 288 CB GLU A 21 1.932 -16.286 10.962 1.00 0.00 C ATOM 289 CG GLU A 21 2.517 -17.015 12.160 1.00 0.00 C ATOM 290 CD GLU A 21 2.734 -16.101 13.350 1.00 0.00 C ATOM 291 OE1 GLU A 21 1.781 -15.391 13.734 1.00 0.00 O ATOM 292 OE2 GLU A 21 3.857 -16.095 13.897 1.00 0.00 O ATOM 0 H GLU A 21 2.210 -13.868 11.458 1.00 0.00 H new ATOM 0 HA GLU A 21 3.935 -15.847 10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.097 -15.670 11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.529 -17.019 10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.850 -17.827 12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.467 -17.468 11.877 1.00 0.00 H new ATOM 299 N ARG A 22 1.656 -14.409 8.429 1.00 0.00 N ATOM 300 CA ARG A 22 1.217 -14.223 7.051 1.00 0.00 C ATOM 301 C ARG A 22 2.405 -13.948 6.134 1.00 0.00 C ATOM 302 O ARG A 22 3.173 -13.015 6.362 1.00 0.00 O ATOM 303 CB ARG A 22 0.215 -13.070 6.965 1.00 0.00 C ATOM 304 CG ARG A 22 -0.482 -12.969 5.618 1.00 0.00 C ATOM 305 CD ARG A 22 -1.755 -12.143 5.710 1.00 0.00 C ATOM 306 NE ARG A 22 -2.525 -12.183 4.469 1.00 0.00 N ATOM 307 CZ ARG A 22 -3.230 -13.237 4.075 1.00 0.00 C ATOM 308 NH1 ARG A 22 -3.264 -14.333 4.822 1.00 0.00 N ATOM 309 NH2 ARG A 22 -3.905 -13.197 2.933 1.00 0.00 N ATOM 0 H ARG A 22 1.198 -13.797 9.104 1.00 0.00 H new ATOM 0 HA ARG A 22 0.733 -15.143 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.536 -13.194 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.734 -12.133 7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.193 -12.519 4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.721 -13.969 5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.370 -12.515 6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.500 -11.110 5.945 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.521 -11.356 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.748 -14.367 5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.806 -15.141 4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.883 -12.356 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.446 -14.007 2.632 1.00 0.00 H new ATOM 323 N GLN A 23 2.548 -14.769 5.099 1.00 0.00 N ATOM 324 CA GLN A 23 3.643 -14.615 4.149 1.00 0.00 C ATOM 325 C GLN A 23 3.494 -13.324 3.350 1.00 0.00 C ATOM 326 O GLN A 23 2.381 -12.847 3.126 1.00 0.00 O ATOM 327 CB GLN A 23 3.695 -15.813 3.199 1.00 0.00 C ATOM 328 CG GLN A 23 5.095 -16.133 2.699 1.00 0.00 C ATOM 329 CD GLN A 23 5.271 -17.599 2.358 1.00 0.00 C ATOM 330 OE1 GLN A 23 4.572 -18.138 1.499 1.00 0.00 O ATOM 331 NE2 GLN A 23 6.210 -18.255 3.031 1.00 0.00 N ATOM 0 H GLN A 23 1.920 -15.547 4.897 1.00 0.00 H new ATOM 0 HA GLN A 23 4.575 -14.566 4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.291 -16.688 3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.049 -15.616 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.308 -15.530 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.822 -15.851 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.767 -17.769 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.374 -19.244 2.844 1.00 0.00 H new ATOM 340 N ILE A 24 4.621 -12.764 2.924 1.00 0.00 N ATOM 341 CA ILE A 24 4.614 -11.529 2.150 1.00 0.00 C ATOM 342 C ILE A 24 3.995 -11.746 0.773 1.00 0.00 C ATOM 343 O ILE A 24 4.051 -12.846 0.222 1.00 0.00 O ATOM 344 CB ILE A 24 6.037 -10.965 1.977 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.673 -10.700 3.344 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.005 -9.691 1.146 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.185 -10.665 3.310 1.00 0.00 C ATOM 0 H ILE A 24 5.550 -13.146 3.102 1.00 0.00 H new ATOM 0 HA ILE A 24 4.012 -10.811 2.707 1.00 0.00 H new ATOM 0 HB ILE A 24 6.643 -11.703 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.304 -9.749 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.351 -11.473 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.018 -9.305 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.588 -9.908 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.386 -8.946 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.567 -10.473 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.563 -11.624 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.516 -9.873 2.638 1.00 0.00 H new ATOM 359 N LEU A 25 3.407 -10.690 0.222 1.00 0.00 N ATOM 360 CA LEU A 25 2.778 -10.764 -1.092 1.00 0.00 C ATOM 361 C LEU A 25 3.173 -9.567 -1.952 1.00 0.00 C ATOM 362 O LEU A 25 3.723 -8.587 -1.453 1.00 0.00 O ATOM 363 CB LEU A 25 1.257 -10.824 -0.949 1.00 0.00 C ATOM 364 CG LEU A 25 0.728 -11.483 0.325 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.702 -11.045 0.599 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.811 -12.999 0.215 1.00 0.00 C ATOM 0 H LEU A 25 3.353 -9.773 0.665 1.00 0.00 H new ATOM 0 HA LEU A 25 3.126 -11.672 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.867 -9.807 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.852 -11.361 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 25 1.350 -11.164 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.061 -11.524 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.734 -9.962 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.338 -11.334 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.430 -13.452 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.213 -13.336 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.849 -13.297 0.067 1.00 0.00 H new ATOM 378 N GLU A 26 2.885 -9.655 -3.247 1.00 0.00 N ATOM 379 CA GLU A 26 3.209 -8.579 -4.176 1.00 0.00 C ATOM 380 C GLU A 26 2.007 -8.235 -5.051 1.00 0.00 C ATOM 381 O GLU A 26 1.557 -9.051 -5.856 1.00 0.00 O ATOM 382 CB GLU A 26 4.398 -8.973 -5.055 1.00 0.00 C ATOM 383 CG GLU A 26 4.805 -7.897 -6.047 1.00 0.00 C ATOM 384 CD GLU A 26 5.541 -8.459 -7.248 1.00 0.00 C ATOM 385 OE1 GLU A 26 6.586 -9.114 -7.049 1.00 0.00 O ATOM 386 OE2 GLU A 26 5.072 -8.245 -8.385 1.00 0.00 O ATOM 0 H GLU A 26 2.428 -10.460 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 26 3.475 -7.698 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.250 -9.207 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.150 -9.883 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.916 -7.366 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.440 -7.167 -5.545 1.00 0.00 H new ATOM 393 N LYS A 27 1.491 -7.022 -4.888 1.00 0.00 N ATOM 394 CA LYS A 27 0.342 -6.568 -5.662 1.00 0.00 C ATOM 395 C LYS A 27 0.639 -5.239 -6.349 1.00 0.00 C ATOM 396 O LYS A 27 1.222 -4.337 -5.749 1.00 0.00 O ATOM 397 CB LYS A 27 -0.884 -6.423 -4.758 1.00 0.00 C ATOM 398 CG LYS A 27 -2.200 -6.688 -5.469 1.00 0.00 C ATOM 399 CD LYS A 27 -2.775 -5.416 -6.069 1.00 0.00 C ATOM 400 CE LYS A 27 -4.232 -5.596 -6.466 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.383 -6.541 -7.607 1.00 0.00 N ATOM 0 H LYS A 27 1.851 -6.335 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 27 0.135 -7.315 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.789 -7.112 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.902 -5.415 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.047 -7.426 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.915 -7.115 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.691 -4.602 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.191 -5.129 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.798 -5.965 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.657 -4.629 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.390 -6.637 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.864 -6.176 -8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.001 -7.471 -7.341 1.00 0.00 H new ATOM 415 N GLN A 28 0.235 -5.127 -7.610 1.00 0.00 N ATOM 416 CA GLN A 28 0.458 -3.907 -8.378 1.00 0.00 C ATOM 417 C GLN A 28 -0.772 -3.006 -8.338 1.00 0.00 C ATOM 418 O GLN A 28 -1.874 -3.426 -8.692 1.00 0.00 O ATOM 419 CB GLN A 28 0.808 -4.248 -9.827 1.00 0.00 C ATOM 420 CG GLN A 28 2.136 -4.973 -9.978 1.00 0.00 C ATOM 421 CD GLN A 28 2.538 -5.159 -11.428 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.913 -4.204 -12.107 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.461 -6.394 -11.910 1.00 0.00 N ATOM 0 H GLN A 28 -0.248 -5.865 -8.122 1.00 0.00 H new ATOM 0 HA GLN A 28 1.293 -3.371 -7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.016 -4.867 -10.247 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.837 -3.328 -10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.913 -4.412 -9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.070 -5.948 -9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.145 -7.156 -11.311 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.718 -6.580 -12.879 1.00 0.00 H new ATOM 432 N LEU A 29 -0.576 -1.766 -7.904 1.00 0.00 N ATOM 433 CA LEU A 29 -1.670 -0.804 -7.818 1.00 0.00 C ATOM 434 C LEU A 29 -1.306 0.500 -8.521 1.00 0.00 C ATOM 435 O LEU A 29 -0.159 0.948 -8.495 1.00 0.00 O ATOM 436 CB LEU A 29 -2.017 -0.528 -6.354 1.00 0.00 C ATOM 437 CG LEU A 29 -2.491 -1.731 -5.538 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.599 -2.471 -6.271 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.327 -2.666 -5.242 1.00 0.00 C ATOM 0 H LEU A 29 0.329 -1.403 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.539 -1.233 -8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.138 -0.107 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.794 0.235 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.890 -1.369 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.923 -3.324 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.442 -1.799 -6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.227 -2.822 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.682 -3.517 -4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.898 -3.021 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.566 -2.131 -4.674 1.00 0.00 H new ATOM 451 N PRO A 30 -2.304 1.125 -9.162 1.00 0.00 N ATOM 452 CA PRO A 30 -2.114 2.388 -9.882 1.00 0.00 C ATOM 453 C PRO A 30 -1.854 3.559 -8.940 1.00 0.00 C ATOM 454 O PRO A 30 -2.672 3.862 -8.071 1.00 0.00 O ATOM 455 CB PRO A 30 -3.441 2.579 -10.620 1.00 0.00 C ATOM 456 CG PRO A 30 -4.437 1.822 -9.810 1.00 0.00 C ATOM 457 CD PRO A 30 -3.695 0.648 -9.234 1.00 0.00 C ATOM 0 HA PRO A 30 -1.246 2.355 -10.540 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.707 3.634 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.386 2.196 -11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.853 2.447 -9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.272 1.491 -10.428 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.077 0.374 -8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.785 -0.234 -9.868 1.00 0.00 H new ATOM 465 N ASP A 31 -0.712 4.214 -9.118 1.00 0.00 N ATOM 466 CA ASP A 31 -0.346 5.353 -8.284 1.00 0.00 C ATOM 467 C ASP A 31 -1.541 6.277 -8.072 1.00 0.00 C ATOM 468 O ASP A 31 -1.589 7.034 -7.102 1.00 0.00 O ATOM 469 CB ASP A 31 0.807 6.129 -8.922 1.00 0.00 C ATOM 470 CG ASP A 31 0.409 6.790 -10.227 1.00 0.00 C ATOM 471 OD1 ASP A 31 0.355 6.085 -11.257 1.00 0.00 O ATOM 472 OD2 ASP A 31 0.150 8.011 -10.218 1.00 0.00 O ATOM 0 H ASP A 31 -0.024 3.976 -9.832 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.026 4.974 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.158 6.890 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.642 5.451 -9.101 1.00 0.00 H new ATOM 477 N SER A 32 -2.504 6.211 -8.985 1.00 0.00 N ATOM 478 CA SER A 32 -3.697 7.045 -8.901 1.00 0.00 C ATOM 479 C SER A 32 -4.546 6.657 -7.694 1.00 0.00 C ATOM 480 O SER A 32 -5.052 7.519 -6.975 1.00 0.00 O ATOM 481 CB SER A 32 -4.524 6.921 -10.182 1.00 0.00 C ATOM 482 OG SER A 32 -5.561 7.886 -10.215 1.00 0.00 O ATOM 0 H SER A 32 -2.481 5.588 -9.792 1.00 0.00 H new ATOM 0 HA SER A 32 -3.379 8.081 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.877 7.048 -11.050 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.952 5.921 -10.247 1.00 0.00 H new ATOM 0 HG SER A 32 -6.074 7.787 -11.044 1.00 0.00 H new ATOM 488 N MET A 33 -4.698 5.355 -7.479 1.00 0.00 N ATOM 489 CA MET A 33 -5.486 4.852 -6.359 1.00 0.00 C ATOM 490 C MET A 33 -5.184 5.637 -5.087 1.00 0.00 C ATOM 491 O MET A 33 -4.025 5.785 -4.695 1.00 0.00 O ATOM 492 CB MET A 33 -5.201 3.366 -6.135 1.00 0.00 C ATOM 493 CG MET A 33 -6.383 2.601 -5.561 1.00 0.00 C ATOM 494 SD MET A 33 -6.410 0.874 -6.080 1.00 0.00 S ATOM 495 CE MET A 33 -5.586 0.092 -4.695 1.00 0.00 C ATOM 0 H MET A 33 -4.286 4.629 -8.065 1.00 0.00 H new ATOM 0 HA MET A 33 -6.541 4.980 -6.602 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.911 2.913 -7.083 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.351 3.265 -5.460 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.348 2.649 -4.473 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.309 3.084 -5.872 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.771 -0.982 -4.721 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.514 0.277 -4.758 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.972 0.504 -3.762 1.00 0.00 H new ATOM 505 N THR A 34 -6.233 6.141 -4.444 1.00 0.00 N ATOM 506 CA THR A 34 -6.080 6.912 -3.217 1.00 0.00 C ATOM 507 C THR A 34 -5.740 6.008 -2.038 1.00 0.00 C ATOM 508 O THR A 34 -6.338 4.945 -1.865 1.00 0.00 O ATOM 509 CB THR A 34 -7.359 7.706 -2.889 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.489 6.826 -2.865 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.590 8.807 -3.913 1.00 0.00 C ATOM 0 H THR A 34 -7.198 6.029 -4.753 1.00 0.00 H new ATOM 0 HA THR A 34 -5.260 7.611 -3.383 1.00 0.00 H new ATOM 0 HB THR A 34 -7.234 8.164 -1.908 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.298 7.338 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.499 9.354 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.742 9.491 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.696 8.366 -4.904 1.00 0.00 H new ATOM 519 N VAL A 35 -4.778 6.436 -1.228 1.00 0.00 N ATOM 520 CA VAL A 35 -4.360 5.666 -0.063 1.00 0.00 C ATOM 521 C VAL A 35 -5.559 5.040 0.641 1.00 0.00 C ATOM 522 O VAL A 35 -5.476 3.925 1.155 1.00 0.00 O ATOM 523 CB VAL A 35 -3.588 6.541 0.942 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.544 5.874 2.308 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.183 6.825 0.432 1.00 0.00 C ATOM 0 H VAL A 35 -4.273 7.313 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.702 4.876 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.111 7.492 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.994 6.507 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.560 5.728 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.046 4.908 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.652 7.444 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.648 5.885 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.241 7.349 -0.522 1.00 0.00 H new ATOM 535 N GLN A 36 -6.672 5.765 0.660 1.00 0.00 N ATOM 536 CA GLN A 36 -7.889 5.280 1.301 1.00 0.00 C ATOM 537 C GLN A 36 -8.360 3.979 0.661 1.00 0.00 C ATOM 538 O GLN A 36 -8.756 3.041 1.354 1.00 0.00 O ATOM 539 CB GLN A 36 -8.993 6.336 1.212 1.00 0.00 C ATOM 540 CG GLN A 36 -9.981 6.281 2.366 1.00 0.00 C ATOM 541 CD GLN A 36 -11.143 7.237 2.184 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.013 7.021 1.340 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.164 8.302 2.977 1.00 0.00 N ATOM 0 H GLN A 36 -6.757 6.690 0.239 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.665 5.087 2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.537 7.325 1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.534 6.206 0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.363 5.265 2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.462 6.518 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.422 8.442 3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.922 8.980 2.900 1.00 0.00 H new ATOM 552 N LYS A 37 -8.316 3.928 -0.666 1.00 0.00 N ATOM 553 CA LYS A 37 -8.737 2.742 -1.401 1.00 0.00 C ATOM 554 C LYS A 37 -7.915 1.525 -0.988 1.00 0.00 C ATOM 555 O LYS A 37 -8.466 0.478 -0.647 1.00 0.00 O ATOM 556 CB LYS A 37 -8.600 2.975 -2.908 1.00 0.00 C ATOM 557 CG LYS A 37 -9.644 3.923 -3.474 1.00 0.00 C ATOM 558 CD LYS A 37 -10.913 3.185 -3.866 1.00 0.00 C ATOM 559 CE LYS A 37 -10.806 2.598 -5.265 1.00 0.00 C ATOM 560 NZ LYS A 37 -12.116 2.082 -5.752 1.00 0.00 N ATOM 0 H LYS A 37 -7.993 4.696 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.783 2.550 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.607 3.374 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.673 2.017 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.881 4.688 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.237 4.436 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.107 2.387 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.761 3.868 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.438 3.360 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.075 1.790 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.001 1.690 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.455 1.337 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.807 2.858 -5.777 1.00 0.00 H new ATOM 574 N VAL A 38 -6.594 1.670 -1.020 1.00 0.00 N ATOM 575 CA VAL A 38 -5.697 0.584 -0.646 1.00 0.00 C ATOM 576 C VAL A 38 -6.086 -0.012 0.703 1.00 0.00 C ATOM 577 O VAL A 38 -6.065 -1.229 0.886 1.00 0.00 O ATOM 578 CB VAL A 38 -4.234 1.062 -0.580 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.293 -0.121 -0.405 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.877 1.857 -1.826 1.00 0.00 C ATOM 0 H VAL A 38 -6.122 2.529 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.788 -0.181 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.122 1.716 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.264 0.236 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.536 -0.645 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.404 -0.802 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.840 2.187 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.005 1.229 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.530 2.726 -1.903 1.00 0.00 H new ATOM 590 N LYS A 39 -6.443 0.855 1.645 1.00 0.00 N ATOM 591 CA LYS A 39 -6.840 0.416 2.978 1.00 0.00 C ATOM 592 C LYS A 39 -8.200 -0.275 2.941 1.00 0.00 C ATOM 593 O LYS A 39 -8.420 -1.271 3.628 1.00 0.00 O ATOM 594 CB LYS A 39 -6.888 1.608 3.936 1.00 0.00 C ATOM 595 CG LYS A 39 -5.516 2.135 4.321 1.00 0.00 C ATOM 596 CD LYS A 39 -5.586 3.574 4.802 1.00 0.00 C ATOM 597 CE LYS A 39 -4.198 4.167 4.991 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.257 5.587 5.435 1.00 0.00 N ATOM 0 H LYS A 39 -6.466 1.866 1.510 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.098 -0.299 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.460 2.412 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.422 1.316 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.092 1.508 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.846 2.069 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.144 4.173 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.133 3.618 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.649 3.579 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.645 4.102 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.298 5.990 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.859 6.130 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.656 5.634 6.394 1.00 0.00 H new ATOM 612 N GLY A 40 -9.109 0.261 2.131 1.00 0.00 N ATOM 613 CA GLY A 40 -10.435 -0.318 2.019 1.00 0.00 C ATOM 614 C GLY A 40 -10.419 -1.675 1.344 1.00 0.00 C ATOM 615 O GLY A 40 -11.299 -2.505 1.580 1.00 0.00 O ATOM 0 H GLY A 40 -8.951 1.085 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.871 -0.415 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.077 0.358 1.454 1.00 0.00 H new ATOM 619 N LEU A 41 -9.419 -1.903 0.500 1.00 0.00 N ATOM 620 CA LEU A 41 -9.293 -3.169 -0.213 1.00 0.00 C ATOM 621 C LEU A 41 -9.116 -4.329 0.762 1.00 0.00 C ATOM 622 O LEU A 41 -9.903 -5.277 0.765 1.00 0.00 O ATOM 623 CB LEU A 41 -8.109 -3.117 -1.180 1.00 0.00 C ATOM 624 CG LEU A 41 -7.650 -4.458 -1.754 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.509 -4.850 -2.946 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.182 -4.395 -2.149 1.00 0.00 C ATOM 0 H LEU A 41 -8.683 -1.227 0.293 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.210 -3.331 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.372 -2.461 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.265 -2.657 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.765 -5.220 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.168 -5.807 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.549 -4.937 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.427 -4.087 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.873 -5.358 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.041 -3.621 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.579 -4.161 -1.272 1.00 0.00 H new ATOM 638 N LEU A 42 -8.081 -4.246 1.590 1.00 0.00 N ATOM 639 CA LEU A 42 -7.802 -5.288 2.573 1.00 0.00 C ATOM 640 C LEU A 42 -8.766 -5.197 3.751 1.00 0.00 C ATOM 641 O LEU A 42 -9.074 -6.201 4.392 1.00 0.00 O ATOM 642 CB LEU A 42 -6.359 -5.175 3.069 1.00 0.00 C ATOM 643 CG LEU A 42 -5.272 -5.250 1.996 1.00 0.00 C ATOM 644 CD1 LEU A 42 -4.037 -4.478 2.433 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.919 -6.699 1.696 1.00 0.00 C ATOM 0 H LEU A 42 -7.421 -3.468 1.601 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.939 -6.256 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.252 -4.230 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.182 -5.970 3.793 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.656 -4.794 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.274 -4.543 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.300 -3.433 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.650 -4.904 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.144 -6.734 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.554 -7.180 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.806 -7.223 1.339 1.00 0.00 H new ATOM 657 N SER A 43 -9.240 -3.987 4.029 1.00 0.00 N ATOM 658 CA SER A 43 -10.168 -3.764 5.132 1.00 0.00 C ATOM 659 C SER A 43 -11.240 -4.849 5.166 1.00 0.00 C ATOM 660 O SER A 43 -11.527 -5.421 6.219 1.00 0.00 O ATOM 661 CB SER A 43 -10.824 -2.388 5.004 1.00 0.00 C ATOM 662 OG SER A 43 -12.049 -2.339 5.715 1.00 0.00 O ATOM 0 H SER A 43 -8.997 -3.146 3.506 1.00 0.00 H new ATOM 0 HA SER A 43 -9.604 -3.804 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.148 -1.622 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.001 -2.162 3.952 1.00 0.00 H new ATOM 0 HG SER A 43 -11.911 -2.670 6.627 1.00 0.00 H new ATOM 668 N ARG A 44 -11.829 -5.128 4.008 1.00 0.00 N ATOM 669 CA ARG A 44 -12.871 -6.143 3.905 1.00 0.00 C ATOM 670 C ARG A 44 -12.291 -7.539 4.113 1.00 0.00 C ATOM 671 O ARG A 44 -12.997 -8.461 4.524 1.00 0.00 O ATOM 672 CB ARG A 44 -13.558 -6.062 2.541 1.00 0.00 C ATOM 673 CG ARG A 44 -14.281 -4.747 2.300 1.00 0.00 C ATOM 674 CD ARG A 44 -15.495 -4.935 1.403 1.00 0.00 C ATOM 675 NE ARG A 44 -15.768 -3.749 0.596 1.00 0.00 N ATOM 676 CZ ARG A 44 -16.766 -3.667 -0.277 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.582 -4.698 -0.454 1.00 0.00 N ATOM 678 NH2 ARG A 44 -16.950 -2.554 -0.974 1.00 0.00 N ATOM 0 H ARG A 44 -11.602 -4.665 3.128 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.607 -5.954 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.812 -6.205 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.272 -6.881 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.594 -4.323 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.596 -4.033 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.332 -5.790 0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.367 -5.165 2.016 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.159 -2.939 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.444 -5.556 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.348 -4.633 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.325 -1.759 -0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.717 -2.493 -1.644 1.00 0.00 H new ATOM 692 N LEU A 45 -11.003 -7.688 3.827 1.00 0.00 N ATOM 693 CA LEU A 45 -10.328 -8.972 3.982 1.00 0.00 C ATOM 694 C LEU A 45 -10.005 -9.243 5.447 1.00 0.00 C ATOM 695 O LEU A 45 -10.507 -10.201 6.038 1.00 0.00 O ATOM 696 CB LEU A 45 -9.044 -8.999 3.151 1.00 0.00 C ATOM 697 CG LEU A 45 -9.187 -9.489 1.710 1.00 0.00 C ATOM 698 CD1 LEU A 45 -9.739 -8.384 0.822 1.00 0.00 C ATOM 699 CD2 LEU A 45 -7.849 -9.983 1.179 1.00 0.00 C ATOM 0 H LEU A 45 -10.404 -6.936 3.486 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.000 -9.753 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.627 -7.992 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.319 -9.635 3.660 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.890 -10.322 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.834 -8.752 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.718 -8.077 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.061 -7.531 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.970 -10.328 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.124 -9.169 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.493 -10.806 1.799 1.00 0.00 H new ATOM 711 N LEU A 46 -9.165 -8.394 6.030 1.00 0.00 N ATOM 712 CA LEU A 46 -8.776 -8.541 7.428 1.00 0.00 C ATOM 713 C LEU A 46 -9.879 -8.039 8.355 1.00 0.00 C ATOM 714 O LEU A 46 -9.692 -7.953 9.569 1.00 0.00 O ATOM 715 CB LEU A 46 -7.479 -7.778 7.700 1.00 0.00 C ATOM 716 CG LEU A 46 -6.249 -8.247 6.922 1.00 0.00 C ATOM 717 CD1 LEU A 46 -5.177 -7.168 6.917 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.705 -9.539 7.512 1.00 0.00 C ATOM 0 H LEU A 46 -8.740 -7.597 5.556 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.615 -9.601 7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.647 -6.725 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.258 -7.845 8.765 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.547 -8.439 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.309 -7.520 6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.570 -6.267 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.882 -6.943 7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.830 -9.858 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.424 -9.374 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.471 -10.313 7.462 1.00 0.00 H new ATOM 730 N LYS A 47 -11.028 -7.711 7.776 1.00 0.00 N ATOM 731 CA LYS A 47 -12.163 -7.221 8.549 1.00 0.00 C ATOM 732 C LYS A 47 -11.745 -6.070 9.459 1.00 0.00 C ATOM 733 O LYS A 47 -12.228 -5.948 10.585 1.00 0.00 O ATOM 734 CB LYS A 47 -12.764 -8.353 9.385 1.00 0.00 C ATOM 735 CG LYS A 47 -13.220 -9.543 8.559 1.00 0.00 C ATOM 736 CD LYS A 47 -12.100 -10.554 8.373 1.00 0.00 C ATOM 737 CE LYS A 47 -12.076 -11.573 9.501 1.00 0.00 C ATOM 738 NZ LYS A 47 -13.294 -12.430 9.502 1.00 0.00 N ATOM 0 H LYS A 47 -11.198 -7.776 6.772 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.915 -6.855 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.025 -8.688 10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.613 -7.966 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.068 -10.023 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.567 -9.199 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.227 -11.068 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.143 -10.034 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.190 -12.201 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.996 -11.055 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.085 -13.330 9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.062 -11.942 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.587 -12.617 8.522 1.00 0.00 H new ATOM 752 N VAL A 48 -10.846 -5.226 8.962 1.00 0.00 N ATOM 753 CA VAL A 48 -10.366 -4.082 9.729 1.00 0.00 C ATOM 754 C VAL A 48 -10.819 -2.769 9.100 1.00 0.00 C ATOM 755 O VAL A 48 -10.782 -2.590 7.883 1.00 0.00 O ATOM 756 CB VAL A 48 -8.829 -4.084 9.836 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.353 -2.929 10.704 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.336 -5.414 10.386 1.00 0.00 C ATOM 0 H VAL A 48 -10.436 -5.313 8.032 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.793 -4.169 10.728 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.412 -3.952 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.265 -2.946 10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.675 -1.986 10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.777 -3.026 11.703 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.248 -5.398 10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.760 -5.578 11.377 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.646 -6.220 9.721 1.00 0.00 H new ATOM 768 N PRO A 49 -11.256 -1.827 9.949 1.00 0.00 N ATOM 769 CA PRO A 49 -11.724 -0.513 9.499 1.00 0.00 C ATOM 770 C PRO A 49 -10.589 0.355 8.966 1.00 0.00 C ATOM 771 O PRO A 49 -9.518 0.431 9.567 1.00 0.00 O ATOM 772 CB PRO A 49 -12.319 0.105 10.767 1.00 0.00 C ATOM 773 CG PRO A 49 -11.611 -0.574 11.888 1.00 0.00 C ATOM 774 CD PRO A 49 -11.328 -1.972 11.412 1.00 0.00 C ATOM 0 HA PRO A 49 -12.432 -0.593 8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.160 1.183 10.794 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.395 -0.060 10.821 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.687 -0.053 12.139 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.226 -0.585 12.788 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.395 -2.355 11.824 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.116 -2.665 11.709 1.00 0.00 H new ATOM 782 N VAL A 50 -10.832 1.010 7.835 1.00 0.00 N ATOM 783 CA VAL A 50 -9.830 1.874 7.222 1.00 0.00 C ATOM 784 C VAL A 50 -9.390 2.972 8.183 1.00 0.00 C ATOM 785 O VAL A 50 -8.256 3.448 8.120 1.00 0.00 O ATOM 786 CB VAL A 50 -10.363 2.521 5.930 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.470 3.677 5.504 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.473 1.485 4.821 1.00 0.00 C ATOM 0 H VAL A 50 -11.714 0.959 7.325 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.974 1.244 6.978 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.360 2.916 6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.862 4.122 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.447 4.429 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.460 3.309 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.851 1.960 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.490 1.058 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.157 0.694 5.129 1.00 0.00 H new ATOM 798 N SER A 51 -10.293 3.369 9.073 1.00 0.00 N ATOM 799 CA SER A 51 -9.999 4.414 10.047 1.00 0.00 C ATOM 800 C SER A 51 -8.913 3.962 11.019 1.00 0.00 C ATOM 801 O SER A 51 -8.292 4.779 11.696 1.00 0.00 O ATOM 802 CB SER A 51 -11.265 4.793 10.819 1.00 0.00 C ATOM 803 OG SER A 51 -11.963 5.841 10.170 1.00 0.00 O ATOM 0 H SER A 51 -11.235 2.983 9.140 1.00 0.00 H new ATOM 0 HA SER A 51 -9.637 5.288 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.914 3.922 10.910 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.000 5.100 11.831 1.00 0.00 H new ATOM 0 HG SER A 51 -12.769 6.064 10.682 1.00 0.00 H new ATOM 809 N GLU A 52 -8.692 2.652 11.080 1.00 0.00 N ATOM 810 CA GLU A 52 -7.682 2.090 11.969 1.00 0.00 C ATOM 811 C GLU A 52 -6.459 1.628 11.181 1.00 0.00 C ATOM 812 O GLU A 52 -5.340 1.628 11.694 1.00 0.00 O ATOM 813 CB GLU A 52 -8.264 0.918 12.762 1.00 0.00 C ATOM 814 CG GLU A 52 -9.361 1.324 13.732 1.00 0.00 C ATOM 815 CD GLU A 52 -9.964 0.138 14.460 1.00 0.00 C ATOM 816 OE1 GLU A 52 -9.282 -0.902 14.569 1.00 0.00 O ATOM 817 OE2 GLU A 52 -11.120 0.251 14.920 1.00 0.00 O ATOM 0 H GLU A 52 -9.198 1.962 10.525 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.371 2.871 12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.662 0.181 12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.462 0.432 13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.955 2.025 14.461 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.146 1.849 13.188 1.00 0.00 H new ATOM 824 N LEU A 53 -6.682 1.234 9.932 1.00 0.00 N ATOM 825 CA LEU A 53 -5.600 0.769 9.072 1.00 0.00 C ATOM 826 C LEU A 53 -4.603 1.890 8.797 1.00 0.00 C ATOM 827 O LEU A 53 -4.967 2.948 8.282 1.00 0.00 O ATOM 828 CB LEU A 53 -6.163 0.237 7.753 1.00 0.00 C ATOM 829 CG LEU A 53 -6.676 -1.203 7.774 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.557 -1.474 6.565 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.512 -2.183 7.819 1.00 0.00 C ATOM 0 H LEU A 53 -7.602 1.227 9.492 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.079 -0.037 9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.980 0.888 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.386 0.314 6.992 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.277 -1.341 8.673 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.913 -2.504 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.410 -0.795 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.981 -1.318 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.896 -3.203 7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.885 -2.044 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.921 -2.005 8.717 1.00 0.00 H new ATOM 843 N LEU A 54 -3.342 1.651 9.142 1.00 0.00 N ATOM 844 CA LEU A 54 -2.290 2.639 8.931 1.00 0.00 C ATOM 845 C LEU A 54 -1.272 2.141 7.910 1.00 0.00 C ATOM 846 O LEU A 54 -0.485 1.237 8.193 1.00 0.00 O ATOM 847 CB LEU A 54 -1.590 2.959 10.253 1.00 0.00 C ATOM 848 CG LEU A 54 -2.499 3.381 11.408 1.00 0.00 C ATOM 849 CD1 LEU A 54 -1.706 3.478 12.702 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.178 4.706 11.096 1.00 0.00 C ATOM 0 H LEU A 54 -3.024 0.781 9.569 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.751 3.547 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.025 2.080 10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.868 3.756 10.075 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.271 2.622 11.534 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.369 3.779 13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.267 2.507 12.934 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.913 4.217 12.588 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.821 4.990 11.929 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.421 5.475 10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.779 4.603 10.193 1.00 0.00 H new ATOM 862 N LEU A 55 -1.291 2.738 6.724 1.00 0.00 N ATOM 863 CA LEU A 55 -0.367 2.357 5.661 1.00 0.00 C ATOM 864 C LEU A 55 0.926 3.162 5.748 1.00 0.00 C ATOM 865 O LEU A 55 0.900 4.391 5.811 1.00 0.00 O ATOM 866 CB LEU A 55 -1.019 2.564 4.293 1.00 0.00 C ATOM 867 CG LEU A 55 -1.699 1.338 3.681 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.685 0.230 3.441 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.825 0.849 4.579 1.00 0.00 C ATOM 0 H LEU A 55 -1.936 3.488 6.474 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.125 1.302 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.760 3.359 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.256 2.916 3.599 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.127 1.625 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.187 -0.634 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.086 0.585 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.227 -0.056 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.297 -0.024 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.421 0.579 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.565 1.641 4.699 1.00 0.00 H new ATOM 881 N SER A 56 2.055 2.461 5.748 1.00 0.00 N ATOM 882 CA SER A 56 3.358 3.110 5.829 1.00 0.00 C ATOM 883 C SER A 56 4.351 2.455 4.873 1.00 0.00 C ATOM 884 O SER A 56 4.690 1.281 5.021 1.00 0.00 O ATOM 885 CB SER A 56 3.894 3.049 7.260 1.00 0.00 C ATOM 886 OG SER A 56 3.737 1.752 7.809 1.00 0.00 O ATOM 0 H SER A 56 2.094 1.443 5.693 1.00 0.00 H new ATOM 0 HA SER A 56 3.235 4.154 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.948 3.326 7.269 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.369 3.776 7.880 1.00 0.00 H new ATOM 0 HG SER A 56 4.089 1.739 8.724 1.00 0.00 H new ATOM 892 N TYR A 57 4.813 3.224 3.893 1.00 0.00 N ATOM 893 CA TYR A 57 5.766 2.719 2.911 1.00 0.00 C ATOM 894 C TYR A 57 7.196 3.069 3.310 1.00 0.00 C ATOM 895 O TYR A 57 7.461 4.155 3.824 1.00 0.00 O ATOM 896 CB TYR A 57 5.456 3.292 1.528 1.00 0.00 C ATOM 897 CG TYR A 57 6.147 4.608 1.249 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.678 5.792 1.805 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.266 4.668 0.428 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.306 6.997 1.553 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.900 5.868 0.172 1.00 0.00 C ATOM 902 CZ TYR A 57 7.416 7.030 0.736 1.00 0.00 C ATOM 903 OH TYR A 57 8.045 8.227 0.482 1.00 0.00 O ATOM 0 H TYR A 57 4.543 4.198 3.757 1.00 0.00 H new ATOM 0 HA TYR A 57 5.673 1.634 2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.752 2.568 0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.379 3.430 1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.808 5.770 2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.647 3.761 -0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.929 7.908 1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.770 5.896 -0.467 1.00 0.00 H new ATOM 0 HH TYR A 57 7.437 8.818 -0.010 1.00 0.00 H new ATOM 913 N GLU A 58 8.115 2.139 3.069 1.00 0.00 N ATOM 914 CA GLU A 58 9.519 2.348 3.403 1.00 0.00 C ATOM 915 C GLU A 58 10.329 2.695 2.157 1.00 0.00 C ATOM 916 O GLU A 58 10.311 1.962 1.168 1.00 0.00 O ATOM 917 CB GLU A 58 10.099 1.100 4.071 1.00 0.00 C ATOM 918 CG GLU A 58 11.346 1.374 4.895 1.00 0.00 C ATOM 919 CD GLU A 58 12.232 0.151 5.036 1.00 0.00 C ATOM 920 OE1 GLU A 58 11.867 -0.762 5.806 1.00 0.00 O ATOM 921 OE2 GLU A 58 13.292 0.108 4.376 1.00 0.00 O ATOM 0 H GLU A 58 7.913 1.234 2.644 1.00 0.00 H new ATOM 0 HA GLU A 58 9.579 3.185 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.339 0.656 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.336 0.364 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.915 2.179 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.053 1.722 5.886 1.00 0.00 H new ATOM 928 N SER A 59 11.038 3.818 2.213 1.00 0.00 N ATOM 929 CA SER A 59 11.851 4.265 1.088 1.00 0.00 C ATOM 930 C SER A 59 13.067 3.362 0.903 1.00 0.00 C ATOM 931 O SER A 59 13.898 3.229 1.802 1.00 0.00 O ATOM 932 CB SER A 59 12.304 5.711 1.302 1.00 0.00 C ATOM 933 OG SER A 59 12.548 6.357 0.065 1.00 0.00 O ATOM 0 H SER A 59 11.066 4.435 3.025 1.00 0.00 H new ATOM 0 HA SER A 59 11.240 4.212 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.540 6.256 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.210 5.726 1.908 1.00 0.00 H new ATOM 0 HG SER A 59 12.834 7.280 0.229 1.00 0.00 H new ATOM 939 N SER A 60 13.163 2.742 -0.269 1.00 0.00 N ATOM 940 CA SER A 60 14.274 1.848 -0.572 1.00 0.00 C ATOM 941 C SER A 60 15.602 2.599 -0.537 1.00 0.00 C ATOM 942 O SER A 60 16.648 2.022 -0.243 1.00 0.00 O ATOM 943 CB SER A 60 14.077 1.202 -1.945 1.00 0.00 C ATOM 944 OG SER A 60 13.088 0.188 -1.894 1.00 0.00 O ATOM 0 H SER A 60 12.485 2.843 -1.024 1.00 0.00 H new ATOM 0 HA SER A 60 14.298 1.068 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.786 1.962 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.020 0.778 -2.290 1.00 0.00 H new ATOM 0 HG SER A 60 12.979 -0.208 -2.784 1.00 0.00 H new ATOM 950 N LYS A 61 15.550 3.892 -0.838 1.00 0.00 N ATOM 951 CA LYS A 61 16.747 4.726 -0.841 1.00 0.00 C ATOM 952 C LYS A 61 17.080 5.204 0.569 1.00 0.00 C ATOM 953 O LYS A 61 18.214 5.588 0.852 1.00 0.00 O ATOM 954 CB LYS A 61 16.553 5.929 -1.766 1.00 0.00 C ATOM 955 CG LYS A 61 15.380 6.813 -1.377 1.00 0.00 C ATOM 956 CD LYS A 61 15.431 8.154 -2.091 1.00 0.00 C ATOM 957 CE LYS A 61 14.777 8.080 -3.462 1.00 0.00 C ATOM 958 NZ LYS A 61 15.099 9.272 -4.295 1.00 0.00 N ATOM 0 H LYS A 61 14.692 4.386 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 61 17.578 4.124 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.464 6.528 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.406 5.573 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.446 6.306 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.386 6.973 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.928 8.909 -1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.468 8.471 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.110 7.178 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.696 8.000 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.635 9.184 -5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.759 10.131 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.129 9.335 -4.428 1.00 0.00 H new ATOM 972 N MET A 62 16.085 5.175 1.449 1.00 0.00 N ATOM 973 CA MET A 62 16.274 5.603 2.830 1.00 0.00 C ATOM 974 C MET A 62 15.730 4.560 3.802 1.00 0.00 C ATOM 975 O MET A 62 14.595 4.647 4.272 1.00 0.00 O ATOM 976 CB MET A 62 15.586 6.948 3.069 1.00 0.00 C ATOM 977 CG MET A 62 16.269 7.801 4.126 1.00 0.00 C ATOM 978 SD MET A 62 17.856 8.453 3.574 1.00 0.00 S ATOM 979 CE MET A 62 18.538 9.043 5.122 1.00 0.00 C ATOM 0 H MET A 62 15.140 4.860 1.231 1.00 0.00 H new ATOM 0 HA MET A 62 17.344 5.715 3.006 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.555 7.502 2.131 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.553 6.770 3.369 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.615 8.630 4.397 1.00 0.00 H new ATOM 0 HG3 MET A 62 16.419 7.206 5.027 1.00 0.00 H new ATOM 0 HE1 MET A 62 19.522 9.476 4.944 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.879 9.801 5.544 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.628 8.211 5.820 1.00 0.00 H new ATOM 989 N PRO A 63 16.556 3.550 4.112 1.00 0.00 N ATOM 990 CA PRO A 63 16.179 2.472 5.030 1.00 0.00 C ATOM 991 C PRO A 63 16.067 2.952 6.473 1.00 0.00 C ATOM 992 O PRO A 63 16.676 3.951 6.854 1.00 0.00 O ATOM 993 CB PRO A 63 17.325 1.467 4.888 1.00 0.00 C ATOM 994 CG PRO A 63 18.490 2.282 4.442 1.00 0.00 C ATOM 995 CD PRO A 63 17.923 3.383 3.589 1.00 0.00 C ATOM 0 HA PRO A 63 15.199 2.058 4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.531 0.966 5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.083 0.691 4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 63 19.031 2.689 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.197 1.675 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.503 4.301 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.919 3.112 2.533 1.00 0.00 H new ATOM 1003 N GLY A 64 15.285 2.233 7.273 1.00 0.00 N ATOM 1004 CA GLY A 64 15.108 2.602 8.665 1.00 0.00 C ATOM 1005 C GLY A 64 14.278 3.859 8.831 1.00 0.00 C ATOM 1006 O GLY A 64 14.480 4.624 9.775 1.00 0.00 O ATOM 0 H GLY A 64 14.771 1.402 6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.628 1.781 9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.085 2.752 9.125 1.00 0.00 H new ATOM 1010 N ARG A 65 13.344 4.075 7.911 1.00 0.00 N ATOM 1011 CA ARG A 65 12.482 5.251 7.958 1.00 0.00 C ATOM 1012 C ARG A 65 11.204 5.021 7.157 1.00 0.00 C ATOM 1013 O ARG A 65 11.251 4.791 5.949 1.00 0.00 O ATOM 1014 CB ARG A 65 13.223 6.474 7.417 1.00 0.00 C ATOM 1015 CG ARG A 65 12.668 7.796 7.923 1.00 0.00 C ATOM 1016 CD ARG A 65 13.020 8.943 6.988 1.00 0.00 C ATOM 1017 NE ARG A 65 12.181 10.115 7.220 1.00 0.00 N ATOM 1018 CZ ARG A 65 11.974 11.062 6.312 1.00 0.00 C ATOM 1019 NH1 ARG A 65 12.542 10.975 5.117 1.00 0.00 N ATOM 1020 NH2 ARG A 65 11.197 12.099 6.598 1.00 0.00 N ATOM 0 H ARG A 65 13.164 3.452 7.124 1.00 0.00 H new ATOM 0 HA ARG A 65 12.210 5.430 8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.275 6.402 7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.177 6.464 6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.585 7.724 8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.064 8.001 8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.067 9.214 7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.908 8.616 5.954 1.00 0.00 H new ATOM 0 HE ARG A 65 11.729 10.212 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.140 10.179 4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.381 11.704 4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.758 12.169 7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.039 12.826 5.900 1.00 0.00 H new ATOM 1034 N GLU A 66 10.065 5.084 7.839 1.00 0.00 N ATOM 1035 CA GLU A 66 8.775 4.881 7.190 1.00 0.00 C ATOM 1036 C GLU A 66 7.932 6.152 7.244 1.00 0.00 C ATOM 1037 O GLU A 66 8.070 6.962 8.162 1.00 0.00 O ATOM 1038 CB GLU A 66 8.020 3.728 7.854 1.00 0.00 C ATOM 1039 CG GLU A 66 8.812 2.431 7.904 1.00 0.00 C ATOM 1040 CD GLU A 66 10.042 2.533 8.784 1.00 0.00 C ATOM 1041 OE1 GLU A 66 9.947 3.140 9.871 1.00 0.00 O ATOM 1042 OE2 GLU A 66 11.101 2.004 8.386 1.00 0.00 O ATOM 0 H GLU A 66 10.009 5.274 8.840 1.00 0.00 H new ATOM 0 HA GLU A 66 8.959 4.631 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.750 4.018 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.089 3.555 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.170 1.632 8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.114 2.155 6.894 1.00 0.00 H new ATOM 1049 N ILE A 67 7.062 6.321 6.254 1.00 0.00 N ATOM 1050 CA ILE A 67 6.197 7.493 6.190 1.00 0.00 C ATOM 1051 C ILE A 67 4.733 7.106 6.370 1.00 0.00 C ATOM 1052 O ILE A 67 4.114 6.544 5.468 1.00 0.00 O ATOM 1053 CB ILE A 67 6.358 8.238 4.851 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.785 8.774 4.710 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.348 9.371 4.751 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.772 7.741 4.214 1.00 0.00 C ATOM 0 H ILE A 67 6.937 5.662 5.486 1.00 0.00 H new ATOM 0 HA ILE A 67 6.499 8.153 7.003 1.00 0.00 H new ATOM 0 HB ILE A 67 6.171 7.538 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.780 9.620 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.120 9.150 5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.474 9.888 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.338 8.965 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.507 10.073 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.762 8.191 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.806 6.905 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.461 7.382 3.233 1.00 0.00 H new ATOM 1068 N GLU A 68 4.186 7.413 7.542 1.00 0.00 N ATOM 1069 CA GLU A 68 2.794 7.099 7.841 1.00 0.00 C ATOM 1070 C GLU A 68 1.852 7.899 6.946 1.00 0.00 C ATOM 1071 O GLU A 68 1.726 9.116 7.087 1.00 0.00 O ATOM 1072 CB GLU A 68 2.486 7.388 9.311 1.00 0.00 C ATOM 1073 CG GLU A 68 2.692 8.842 9.701 1.00 0.00 C ATOM 1074 CD GLU A 68 2.727 9.044 11.204 1.00 0.00 C ATOM 1075 OE1 GLU A 68 3.776 8.753 11.816 1.00 0.00 O ATOM 1076 OE2 GLU A 68 1.707 9.491 11.767 1.00 0.00 O ATOM 0 H GLU A 68 4.686 7.879 8.300 1.00 0.00 H new ATOM 0 HA GLU A 68 2.639 6.038 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.454 7.107 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.120 6.759 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.625 9.202 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.890 9.445 9.276 1.00 0.00 H new ATOM 1083 N LEU A 69 1.192 7.206 6.023 1.00 0.00 N ATOM 1084 CA LEU A 69 0.261 7.851 5.104 1.00 0.00 C ATOM 1085 C LEU A 69 -1.026 8.247 5.821 1.00 0.00 C ATOM 1086 O LEU A 69 -1.983 7.475 5.870 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.060 6.918 3.935 1.00 0.00 C ATOM 1088 CG LEU A 69 1.126 6.163 3.334 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.644 5.111 2.346 1.00 0.00 C ATOM 1090 CD2 LEU A 69 2.088 7.130 2.659 1.00 0.00 C ATOM 0 H LEU A 69 1.285 6.199 5.892 1.00 0.00 H new ATOM 0 HA LEU A 69 0.735 8.755 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.797 6.189 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.529 7.505 3.146 1.00 0.00 H new ATOM 0 HG LEU A 69 1.657 5.658 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.502 4.584 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.004 4.400 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.089 5.594 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.926 6.575 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.569 7.664 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.460 7.845 3.393 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.041 9.457 6.372 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.212 9.955 7.085 1.00 0.00 C ATOM 1104 C GLU A 70 -3.330 10.314 6.111 1.00 0.00 C ATOM 1105 O GLU A 70 -4.472 9.889 6.277 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.841 11.179 7.926 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.246 12.317 7.115 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.747 13.455 7.985 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.077 13.175 9.001 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -1.027 14.625 7.649 1.00 0.00 O ATOM 0 H GLU A 70 -0.257 10.109 6.339 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.568 9.164 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.732 11.538 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.127 10.879 8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.421 11.936 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.998 12.696 6.423 1.00 0.00 H new ATOM 1117 N ASN A 71 -2.992 11.100 5.094 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.967 11.518 4.093 1.00 0.00 C ATOM 1119 C ASN A 71 -4.382 10.342 3.214 1.00 0.00 C ATOM 1120 O ASN A 71 -3.573 9.803 2.459 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.390 12.639 3.226 1.00 0.00 C ATOM 1122 CG ASN A 71 -4.464 13.567 2.691 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.682 13.054 2.570 1.00 0.00 O flip ATOM 1124 ND2 ASN A 71 -4.200 14.732 2.392 1.00 0.00 N flip ATOM 0 H ASN A 71 -2.050 11.460 4.941 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.850 11.889 4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.674 13.216 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.841 12.203 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.249 15.084 2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.933 15.345 2.035 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.647 9.950 3.319 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.171 8.840 2.533 1.00 0.00 C ATOM 1133 C ASP A 72 -6.575 9.304 1.137 1.00 0.00 C ATOM 1134 O ASP A 72 -6.287 8.638 0.142 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.370 8.207 3.240 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.252 8.272 4.750 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -7.108 9.391 5.286 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -7.303 7.204 5.396 1.00 0.00 O ATOM 0 H ASP A 72 -6.328 10.385 3.941 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.382 8.094 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.282 8.715 2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.463 7.166 2.930 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.244 10.450 1.071 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.689 11.004 -0.203 1.00 0.00 C ATOM 1145 C LEU A 73 -6.508 11.223 -1.143 1.00 0.00 C ATOM 1146 O LEU A 73 -6.680 11.316 -2.358 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.427 12.325 0.023 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.871 12.211 0.514 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -9.923 12.249 2.033 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.725 13.323 -0.078 1.00 0.00 C ATOM 0 H LEU A 73 -7.490 11.014 1.885 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.370 10.289 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.864 12.914 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.425 12.884 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.273 11.254 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.958 12.167 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.346 11.418 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.502 13.190 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.749 13.226 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.324 14.290 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.714 13.250 -1.166 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.310 11.303 -0.573 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.101 11.509 -1.361 1.00 0.00 C ATOM 1164 C GLN A 74 -3.606 10.193 -1.952 1.00 0.00 C ATOM 1165 O GLN A 74 -3.542 9.166 -1.277 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.006 12.139 -0.499 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.352 13.532 0.002 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.197 14.593 -1.070 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.801 14.299 -2.198 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.510 15.836 -0.722 1.00 0.00 N ATOM 0 H GLN A 74 -5.151 11.228 0.432 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.342 12.186 -2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.811 11.492 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.083 12.189 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.379 13.538 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.711 13.779 0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.834 16.034 0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.426 16.592 -1.401 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.246 10.223 -3.244 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.749 9.041 -3.954 1.00 0.00 C ATOM 1181 C PRO A 75 -1.365 8.616 -3.477 1.00 0.00 C ATOM 1182 O PRO A 75 -0.709 9.337 -2.723 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.694 9.501 -5.413 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.542 10.981 -5.338 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.295 11.412 -4.110 1.00 0.00 C ATOM 0 HA PRO A 75 -3.385 8.171 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.857 9.043 -5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.601 9.223 -5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.491 11.263 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.944 11.460 -6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.828 12.275 -3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.321 11.695 -4.346 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.925 7.444 -3.920 1.00 0.00 N ATOM 1194 CA LEU A 76 0.383 6.923 -3.538 1.00 0.00 C ATOM 1195 C LEU A 76 1.501 7.814 -4.072 1.00 0.00 C ATOM 1196 O LEU A 76 2.545 7.962 -3.439 1.00 0.00 O ATOM 1197 CB LEU A 76 0.559 5.496 -4.060 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.244 4.414 -3.338 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.196 4.301 -1.887 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.735 4.710 -3.423 1.00 0.00 C ATOM 0 H LEU A 76 -1.455 6.836 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 76 0.439 6.914 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.286 5.480 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.616 5.236 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.054 3.460 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.387 3.526 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.254 4.042 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.037 5.254 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.291 3.929 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.942 5.674 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.041 4.739 -4.469 1.00 0.00 H new ATOM 1212 N GLN A 77 1.272 8.405 -5.241 1.00 0.00 N ATOM 1213 CA GLN A 77 2.259 9.281 -5.859 1.00 0.00 C ATOM 1214 C GLN A 77 2.481 10.532 -5.015 1.00 0.00 C ATOM 1215 O GLN A 77 3.543 11.153 -5.074 1.00 0.00 O ATOM 1216 CB GLN A 77 1.811 9.676 -7.268 1.00 0.00 C ATOM 1217 CG GLN A 77 2.643 10.790 -7.881 1.00 0.00 C ATOM 1218 CD GLN A 77 2.123 11.228 -9.236 1.00 0.00 C ATOM 1219 OE1 GLN A 77 2.815 11.109 -10.248 1.00 0.00 O ATOM 1220 NE2 GLN A 77 0.897 11.739 -9.264 1.00 0.00 N ATOM 0 H GLN A 77 0.412 8.293 -5.778 1.00 0.00 H new ATOM 0 HA GLN A 77 3.201 8.736 -5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.859 8.800 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.768 9.990 -7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.652 11.645 -7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.675 10.454 -7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.358 11.819 -8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.495 12.051 -10.148 1.00 0.00 H new ATOM 1229 N PHE A 78 1.472 10.897 -4.230 1.00 0.00 N ATOM 1230 CA PHE A 78 1.557 12.075 -3.374 1.00 0.00 C ATOM 1231 C PHE A 78 2.524 11.839 -2.218 1.00 0.00 C ATOM 1232 O PHE A 78 2.936 12.778 -1.537 1.00 0.00 O ATOM 1233 CB PHE A 78 0.173 12.437 -2.831 1.00 0.00 C ATOM 1234 CG PHE A 78 0.145 13.739 -2.083 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.116 14.945 -2.765 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.147 13.758 -0.698 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.091 16.144 -2.080 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.121 14.954 -0.006 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.092 16.149 -0.698 1.00 0.00 C ATOM 0 H PHE A 78 0.587 10.394 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 78 1.933 12.904 -3.974 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.532 12.488 -3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.169 11.640 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.113 14.947 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.169 12.826 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.071 17.077 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.123 14.954 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.070 17.085 -0.160 1.00 0.00 H new ATOM 1249 N TYR A 79 2.882 10.578 -2.002 1.00 0.00 N ATOM 1250 CA TYR A 79 3.798 10.216 -0.927 1.00 0.00 C ATOM 1251 C TYR A 79 5.151 9.787 -1.486 1.00 0.00 C ATOM 1252 O TYR A 79 5.988 9.242 -0.766 1.00 0.00 O ATOM 1253 CB TYR A 79 3.204 9.091 -0.079 1.00 0.00 C ATOM 1254 CG TYR A 79 2.130 9.557 0.879 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.459 10.232 2.047 1.00 0.00 C ATOM 1256 CD2 TYR A 79 0.786 9.322 0.614 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.482 10.659 2.925 1.00 0.00 C ATOM 1258 CE2 TYR A 79 -0.198 9.746 1.486 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.155 10.414 2.640 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.822 10.838 3.511 1.00 0.00 O ATOM 0 H TYR A 79 2.551 9.789 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 79 3.946 11.095 -0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.785 8.332 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.003 8.614 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.497 10.427 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.506 8.799 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.756 11.182 3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.238 9.555 1.265 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.692 10.492 3.221 1.00 0.00 H new ATOM 1270 N SER A 80 5.359 10.037 -2.774 1.00 0.00 N ATOM 1271 CA SER A 80 6.608 9.674 -3.432 1.00 0.00 C ATOM 1272 C SER A 80 6.817 8.163 -3.406 1.00 0.00 C ATOM 1273 O SER A 80 7.882 7.679 -3.022 1.00 0.00 O ATOM 1274 CB SER A 80 7.788 10.376 -2.756 1.00 0.00 C ATOM 1275 OG SER A 80 7.598 11.780 -2.727 1.00 0.00 O ATOM 0 H SER A 80 4.678 10.490 -3.383 1.00 0.00 H new ATOM 0 HA SER A 80 6.550 9.997 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.904 10.001 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.709 10.142 -3.290 1.00 0.00 H new ATOM 0 HG SER A 80 8.365 12.205 -2.289 1.00 0.00 H new ATOM 1281 N VAL A 81 5.793 7.423 -3.816 1.00 0.00 N ATOM 1282 CA VAL A 81 5.863 5.967 -3.841 1.00 0.00 C ATOM 1283 C VAL A 81 6.081 5.451 -5.259 1.00 0.00 C ATOM 1284 O VAL A 81 5.274 5.705 -6.153 1.00 0.00 O ATOM 1285 CB VAL A 81 4.581 5.333 -3.268 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.549 3.840 -3.555 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.478 5.600 -1.774 1.00 0.00 C ATOM 0 H VAL A 81 4.904 7.808 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 81 6.711 5.681 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 81 3.720 5.790 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.636 3.410 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.573 3.676 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.415 3.363 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.567 5.145 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.342 5.171 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.451 6.675 -1.598 1.00 0.00 H new ATOM 1297 N GLU A 82 7.177 4.726 -5.458 1.00 0.00 N ATOM 1298 CA GLU A 82 7.501 4.175 -6.768 1.00 0.00 C ATOM 1299 C GLU A 82 7.773 2.676 -6.676 1.00 0.00 C ATOM 1300 O GLU A 82 8.059 2.152 -5.601 1.00 0.00 O ATOM 1301 CB GLU A 82 8.718 4.890 -7.360 1.00 0.00 C ATOM 1302 CG GLU A 82 9.982 4.724 -6.534 1.00 0.00 C ATOM 1303 CD GLU A 82 11.129 5.573 -7.047 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.424 5.502 -8.259 1.00 0.00 O ATOM 1305 OE2 GLU A 82 11.732 6.309 -6.238 1.00 0.00 O ATOM 0 H GLU A 82 7.855 4.507 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 82 6.643 4.332 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.899 4.510 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.494 5.952 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.772 4.991 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.280 3.676 -6.539 1.00 0.00 H new ATOM 1312 N ASN A 83 7.681 1.993 -7.812 1.00 0.00 N ATOM 1313 CA ASN A 83 7.916 0.554 -7.861 1.00 0.00 C ATOM 1314 C ASN A 83 9.189 0.186 -7.106 1.00 0.00 C ATOM 1315 O ASN A 83 10.236 0.803 -7.295 1.00 0.00 O ATOM 1316 CB ASN A 83 8.014 0.081 -9.312 1.00 0.00 C ATOM 1317 CG ASN A 83 9.349 0.426 -9.943 1.00 0.00 C ATOM 1318 OD1 ASN A 83 10.289 -0.369 -9.908 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.439 1.616 -10.525 1.00 0.00 N ATOM 0 H ASN A 83 7.445 2.413 -8.711 1.00 0.00 H new ATOM 0 HA ASN A 83 7.073 0.056 -7.381 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.865 -0.998 -9.350 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.212 0.535 -9.894 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.312 1.903 -10.967 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.635 2.243 -10.530 1.00 0.00 H new ATOM 1326 N GLY A 84 9.092 -0.827 -6.250 1.00 0.00 N ATOM 1327 CA GLY A 84 10.243 -1.262 -5.480 1.00 0.00 C ATOM 1328 C GLY A 84 10.066 -1.031 -3.993 1.00 0.00 C ATOM 1329 O GLY A 84 10.630 -1.757 -3.174 1.00 0.00 O ATOM 0 H GLY A 84 8.236 -1.354 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.418 -2.322 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.129 -0.729 -5.824 1.00 0.00 H new ATOM 1333 N ASP A 85 9.281 -0.018 -3.642 1.00 0.00 N ATOM 1334 CA ASP A 85 9.032 0.307 -2.242 1.00 0.00 C ATOM 1335 C ASP A 85 8.338 -0.851 -1.531 1.00 0.00 C ATOM 1336 O ASP A 85 7.882 -1.801 -2.169 1.00 0.00 O ATOM 1337 CB ASP A 85 8.180 1.572 -2.134 1.00 0.00 C ATOM 1338 CG ASP A 85 9.009 2.838 -2.222 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.237 2.758 -2.010 1.00 0.00 O ATOM 1340 OD2 ASP A 85 8.431 3.909 -2.501 1.00 0.00 O ATOM 0 H ASP A 85 8.806 0.592 -4.307 1.00 0.00 H new ATOM 0 HA ASP A 85 9.993 0.483 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.435 1.573 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.638 1.561 -1.189 1.00 0.00 H new ATOM 1345 N CYS A 86 8.264 -0.766 -0.208 1.00 0.00 N ATOM 1346 CA CYS A 86 7.627 -1.807 0.591 1.00 0.00 C ATOM 1347 C CYS A 86 6.383 -1.271 1.292 1.00 0.00 C ATOM 1348 O CYS A 86 6.419 -0.211 1.919 1.00 0.00 O ATOM 1349 CB CYS A 86 8.611 -2.360 1.623 1.00 0.00 C ATOM 1350 SG CYS A 86 10.141 -3.010 0.911 1.00 0.00 S ATOM 0 H CYS A 86 8.637 0.013 0.335 1.00 0.00 H new ATOM 0 HA CYS A 86 7.325 -2.611 -0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.860 -1.570 2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.121 -3.153 2.188 1.00 0.00 H new ATOM 0 HG CYS A 86 10.909 -3.452 1.862 1.00 0.00 H new ATOM 1356 N LEU A 87 5.284 -2.009 1.181 1.00 0.00 N ATOM 1357 CA LEU A 87 4.027 -1.607 1.803 1.00 0.00 C ATOM 1358 C LEU A 87 3.858 -2.269 3.167 1.00 0.00 C ATOM 1359 O LEU A 87 4.014 -3.483 3.303 1.00 0.00 O ATOM 1360 CB LEU A 87 2.848 -1.970 0.898 1.00 0.00 C ATOM 1361 CG LEU A 87 2.593 -1.031 -0.281 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.202 -1.257 -0.853 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.768 0.420 0.145 1.00 0.00 C ATOM 0 H LEU A 87 5.238 -2.888 0.666 1.00 0.00 H new ATOM 0 HA LEU A 87 4.050 -0.526 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.011 -2.975 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.946 -2.008 1.508 1.00 0.00 H new ATOM 0 HG LEU A 87 3.323 -1.251 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.039 -0.580 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.113 -2.288 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.456 -1.066 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.583 1.074 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.062 0.653 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.785 0.573 0.506 1.00 0.00 H new ATOM 1375 N LEU A 88 3.538 -1.464 4.173 1.00 0.00 N ATOM 1376 CA LEU A 88 3.345 -1.971 5.528 1.00 0.00 C ATOM 1377 C LEU A 88 1.925 -1.700 6.014 1.00 0.00 C ATOM 1378 O LEU A 88 1.547 -0.552 6.248 1.00 0.00 O ATOM 1379 CB LEU A 88 4.355 -1.331 6.482 1.00 0.00 C ATOM 1380 CG LEU A 88 5.827 -1.474 6.095 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.637 -0.307 6.640 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.386 -2.796 6.602 1.00 0.00 C ATOM 0 H LEU A 88 3.406 -0.457 4.077 1.00 0.00 H new ATOM 0 HA LEU A 88 3.503 -3.049 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.123 -0.269 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.216 -1.766 7.472 1.00 0.00 H new ATOM 0 HG LEU A 88 5.900 -1.465 5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.682 -0.425 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.252 0.626 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.557 -0.285 7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.435 -2.881 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.300 -2.835 7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.824 -3.621 6.164 1.00 0.00 H new ATOM 1394 N VAL A 89 1.143 -2.764 6.166 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.234 -2.641 6.629 1.00 0.00 C ATOM 1396 C VAL A 89 -0.332 -2.876 8.132 1.00 0.00 C ATOM 1397 O VAL A 89 0.020 -3.946 8.627 1.00 0.00 O ATOM 1398 CB VAL A 89 -1.160 -3.635 5.903 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.618 -3.324 6.204 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.899 -3.609 4.405 1.00 0.00 C ATOM 0 H VAL A 89 1.440 -3.721 5.975 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.555 -1.624 6.402 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.945 -4.639 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.257 -4.036 5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.792 -3.399 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.851 -2.314 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.562 -4.317 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.085 -2.606 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.138 -3.885 4.211 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.814 -1.868 8.852 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.958 -1.964 10.300 1.00 0.00 C ATOM 1412 C ARG A 90 -2.334 -1.475 10.743 1.00 0.00 C ATOM 1413 O ARG A 90 -3.112 -0.968 9.935 1.00 0.00 O ATOM 1414 CB ARG A 90 0.133 -1.150 10.998 1.00 0.00 C ATOM 1415 CG ARG A 90 0.496 -1.674 12.378 1.00 0.00 C ATOM 1416 CD ARG A 90 1.852 -1.157 12.832 1.00 0.00 C ATOM 1417 NE ARG A 90 2.453 -2.017 13.847 1.00 0.00 N ATOM 1418 CZ ARG A 90 3.606 -1.748 14.449 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.278 -0.648 14.140 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.089 -2.580 15.364 1.00 0.00 N ATOM 0 H ARG A 90 -1.111 -0.976 8.457 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.856 -3.012 10.581 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.027 -1.146 10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.198 -0.115 11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.268 -1.373 13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.507 -2.764 12.363 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.520 -1.088 11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.741 -0.149 13.231 1.00 0.00 H new ATOM 0 HE ARG A 90 1.961 -2.871 14.108 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.910 -0.006 13.438 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.163 -0.444 14.604 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.575 -3.427 15.605 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.975 -2.372 15.825 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.625 -1.632 12.029 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.908 -1.208 12.579 1.00 0.00 C ATOM 1436 C TRP A 91 -3.935 -1.381 14.093 1.00 0.00 C ATOM 1437 O TRP A 91 -3.422 -2.367 14.623 1.00 0.00 O ATOM 1438 CB TRP A 91 -5.048 -2.003 11.941 1.00 0.00 C ATOM 1439 CG TRP A 91 -5.031 -3.458 12.300 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.388 -4.011 13.497 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.635 -4.544 11.456 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.237 -5.376 13.447 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.777 -5.728 12.206 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -4.176 -4.633 10.139 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.476 -6.982 11.682 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.876 -5.878 9.620 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -4.028 -7.039 10.390 1.00 0.00 C ATOM 0 H TRP A 91 -1.991 -2.049 12.710 1.00 0.00 H new ATOM 0 HA TRP A 91 -4.041 -0.150 12.351 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.000 -1.571 12.250 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.989 -1.903 10.857 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.737 -3.457 14.356 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.435 -6.022 14.211 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -4.058 -3.744 9.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.592 -7.878 12.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.518 -5.958 8.604 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.787 -7.998 9.955 1.00 0.00 H new ATOM 1458 N SER A 92 -4.537 -0.419 14.784 1.00 0.00 N ATOM 1459 CA SER A 92 -4.627 -0.464 16.239 1.00 0.00 C ATOM 1460 C SER A 92 -5.936 -1.111 16.682 1.00 0.00 C ATOM 1461 O SER A 92 -6.952 -0.435 16.842 1.00 0.00 O ATOM 1462 CB SER A 92 -4.518 0.946 16.823 1.00 0.00 C ATOM 1463 OG SER A 92 -4.745 0.938 18.221 1.00 0.00 O ATOM 0 H SER A 92 -4.970 0.401 14.360 1.00 0.00 H new ATOM 0 HA SER A 92 -3.799 -1.068 16.611 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.529 1.354 16.614 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.242 1.601 16.338 1.00 0.00 H new ATOM 0 HG SER A 92 -4.668 1.850 18.570 1.00 0.00 H new ATOM 1469 N GLY A 93 -5.904 -2.425 16.878 1.00 0.00 N ATOM 1470 CA GLY A 93 -7.093 -3.142 17.300 1.00 0.00 C ATOM 1471 C GLY A 93 -7.028 -4.620 16.967 1.00 0.00 C ATOM 1472 O GLY A 93 -7.550 -5.072 15.948 1.00 0.00 O ATOM 0 H GLY A 93 -5.075 -3.006 16.752 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.224 -3.020 18.375 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.968 -2.703 16.820 1.00 0.00 H new ATOM 1476 N PRO A 94 -6.372 -5.398 17.841 1.00 0.00 N ATOM 1477 CA PRO A 94 -6.224 -6.845 17.655 1.00 0.00 C ATOM 1478 C PRO A 94 -7.543 -7.590 17.831 1.00 0.00 C ATOM 1479 O PRO A 94 -8.139 -7.570 18.908 1.00 0.00 O ATOM 1480 CB PRO A 94 -5.234 -7.244 18.753 1.00 0.00 C ATOM 1481 CG PRO A 94 -5.394 -6.200 19.804 1.00 0.00 C ATOM 1482 CD PRO A 94 -5.725 -4.927 19.077 1.00 0.00 C ATOM 0 HA PRO A 94 -5.889 -7.094 16.648 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.456 -8.237 19.144 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.212 -7.271 18.374 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.187 -6.468 20.502 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.480 -6.090 20.387 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.390 -4.292 19.662 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.831 -4.342 18.864 1.00 0.00 H new ATOM 1490 N SER A 95 -7.993 -8.247 16.767 1.00 0.00 N ATOM 1491 CA SER A 95 -9.243 -8.996 16.803 1.00 0.00 C ATOM 1492 C SER A 95 -9.208 -10.060 17.896 1.00 0.00 C ATOM 1493 O SER A 95 -10.137 -10.177 18.694 1.00 0.00 O ATOM 1494 CB SER A 95 -9.509 -9.651 15.446 1.00 0.00 C ATOM 1495 OG SER A 95 -10.768 -10.301 15.432 1.00 0.00 O ATOM 0 H SER A 95 -7.510 -8.276 15.869 1.00 0.00 H new ATOM 0 HA SER A 95 -10.050 -8.298 17.026 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.478 -8.895 14.661 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.722 -10.372 15.226 1.00 0.00 H new ATOM 0 HG SER A 95 -10.915 -10.710 14.554 1.00 0.00 H new ATOM 1501 N SER A 96 -8.128 -10.834 17.924 1.00 0.00 N ATOM 1502 CA SER A 96 -7.971 -11.892 18.915 1.00 0.00 C ATOM 1503 C SER A 96 -6.541 -11.933 19.444 1.00 0.00 C ATOM 1504 O SER A 96 -5.625 -11.383 18.834 1.00 0.00 O ATOM 1505 CB SER A 96 -8.342 -13.247 18.310 1.00 0.00 C ATOM 1506 OG SER A 96 -9.742 -13.459 18.354 1.00 0.00 O ATOM 0 H SER A 96 -7.349 -10.748 17.272 1.00 0.00 H new ATOM 0 HA SER A 96 -8.642 -11.678 19.747 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.996 -13.295 17.277 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.833 -14.043 18.854 1.00 0.00 H new ATOM 0 HG SER A 96 -9.953 -14.331 17.960 1.00 0.00 H new ATOM 1512 N GLY A 97 -6.357 -12.591 20.585 1.00 0.00 N ATOM 1513 CA GLY A 97 -5.036 -12.692 21.179 1.00 0.00 C ATOM 1514 C GLY A 97 -4.402 -11.336 21.418 1.00 0.00 C ATOM 1515 O GLY A 97 -3.598 -11.173 22.335 1.00 0.00 O ATOM 0 H GLY A 97 -7.099 -13.056 21.108 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.107 -13.228 22.125 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.392 -13.281 20.526 1.00 0.00 H new TER 1519 GLY A 97