USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 773 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 39 HIS :FLIP no HE2:sc= -12.6! C(o=-26!,f=-23!) USER MOD Set 1.2: A 89 CYS SG : rot -149:sc= -1.22! USER MOD Set 1.3: A 92 HIS : no HD1:sc= -8.9! C(o=-23!,f=-27!) USER MOD Set 2.1: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 74 THR OG1 : rot -132:sc= 0.0367 USER MOD Set 3.1: A 67 SER OG : rot 120:sc= -3.44! USER MOD Set 3.2: A 70 GLN : amide:sc= -3.15! C(o=-6.6!,f=-7.7!) USER MOD Set 4.1: A 40 ASN : amide:sc= -0.461 K(o=-6.5,f=-11!) USER MOD Set 4.2: A 61 HIS : no HE2:sc= -6.06! C(o=-6.5!,f=-8.7!) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0.103 USER MOD Set 5.2: A 75 THR OG1 : rot 66:sc= 0.101 USER MOD Single : A 2 THR OG1 : rot 28:sc= 0.617 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -36:sc= 0.239 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 31:sc= -0.0278 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -11.8! C(o=-12!,f=-22!) USER MOD Single : A 34 ASN : amide:sc= -0.475 K(o=-0.48,f=-1.6) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -3.25! C(o=-3.3!,f=-9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 1:sc= 0.623 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -17:sc= -0.526! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -44:sc= -1.32! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.177 USER MOD Single : A 86 THR OG1 : rot 112:sc= 0.144 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -128:sc= -2.97 (180deg=-7.82!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 1.824 14.587 2.519 1.00 0.00 N ATOM 19 CA THR A 2 1.188 13.265 2.780 1.00 0.00 C ATOM 20 C THR A 2 0.497 12.771 1.508 1.00 0.00 C ATOM 21 O THR A 2 -0.237 13.497 0.866 1.00 0.00 O ATOM 22 CB THR A 2 0.151 13.410 3.897 1.00 0.00 C ATOM 23 OG1 THR A 2 0.604 14.372 4.840 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.044 12.062 4.592 1.00 0.00 C ATOM 0 HA THR A 2 1.952 12.548 3.082 1.00 0.00 H new ATOM 0 HB THR A 2 -0.798 13.737 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.186 15.021 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.782 12.166 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.392 11.326 3.867 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.904 11.732 5.018 1.00 0.00 H new ATOM 32 N TYR A 3 0.723 11.540 1.138 1.00 0.00 N ATOM 33 CA TYR A 3 0.077 10.999 -0.090 1.00 0.00 C ATOM 34 C TYR A 3 -1.181 10.222 0.301 1.00 0.00 C ATOM 35 O TYR A 3 -1.414 9.948 1.461 1.00 0.00 O ATOM 36 CB TYR A 3 1.051 10.065 -0.811 1.00 0.00 C ATOM 37 CG TYR A 3 2.197 10.871 -1.374 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.017 11.623 -2.542 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.439 10.869 -0.728 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.079 12.371 -3.063 1.00 0.00 C ATOM 41 CE2 TYR A 3 4.500 11.617 -1.250 1.00 0.00 C ATOM 42 CZ TYR A 3 4.321 12.368 -2.417 1.00 0.00 C ATOM 43 OH TYR A 3 5.368 13.105 -2.930 1.00 0.00 O ATOM 0 H TYR A 3 1.328 10.885 1.634 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.193 11.821 -0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.428 9.311 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.537 9.534 -1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.059 11.626 -3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.578 10.290 0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.940 12.951 -3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.458 11.615 -0.752 1.00 0.00 H new ATOM 0 HH TYR A 3 6.157 12.993 -2.360 1.00 0.00 H new ATOM 53 N THR A 4 -1.995 9.868 -0.655 1.00 0.00 N ATOM 54 CA THR A 4 -3.237 9.112 -0.328 1.00 0.00 C ATOM 55 C THR A 4 -3.709 8.335 -1.559 1.00 0.00 C ATOM 56 O THR A 4 -3.594 8.793 -2.678 1.00 0.00 O ATOM 57 CB THR A 4 -4.331 10.092 0.102 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.773 11.072 0.966 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.438 9.334 0.834 1.00 0.00 C ATOM 0 H THR A 4 -1.855 10.069 -1.645 1.00 0.00 H new ATOM 0 HA THR A 4 -3.030 8.414 0.483 1.00 0.00 H new ATOM 0 HB THR A 4 -4.750 10.580 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.090 10.657 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.217 10.033 1.140 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.865 8.583 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.023 8.845 1.715 1.00 0.00 H new ATOM 67 N VAL A 5 -4.247 7.164 -1.356 1.00 0.00 N ATOM 68 CA VAL A 5 -4.737 6.354 -2.507 1.00 0.00 C ATOM 69 C VAL A 5 -6.175 5.907 -2.226 1.00 0.00 C ATOM 70 O VAL A 5 -6.440 4.744 -1.994 1.00 0.00 O ATOM 71 CB VAL A 5 -3.841 5.126 -2.684 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.990 4.584 -4.106 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.381 5.518 -2.440 1.00 0.00 C ATOM 0 H VAL A 5 -4.369 6.732 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.710 6.951 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.136 4.358 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.351 3.710 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.028 4.303 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.696 5.353 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.743 4.643 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.087 6.287 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.272 5.903 -1.426 1.00 0.00 H new ATOM 83 N LYS A 6 -7.102 6.827 -2.236 1.00 0.00 N ATOM 84 CA LYS A 6 -8.523 6.467 -1.960 1.00 0.00 C ATOM 85 C LYS A 6 -8.949 5.296 -2.849 1.00 0.00 C ATOM 86 O LYS A 6 -9.162 5.449 -4.035 1.00 0.00 O ATOM 87 CB LYS A 6 -9.421 7.672 -2.247 1.00 0.00 C ATOM 88 CG LYS A 6 -10.887 7.267 -2.079 1.00 0.00 C ATOM 89 CD LYS A 6 -11.666 7.628 -3.345 1.00 0.00 C ATOM 90 CE LYS A 6 -12.062 9.105 -3.298 1.00 0.00 C ATOM 91 NZ LYS A 6 -13.371 9.248 -2.600 1.00 0.00 N ATOM 0 H LYS A 6 -6.936 7.816 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.619 6.177 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.178 8.490 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.247 8.036 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.960 6.196 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.319 7.775 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.057 7.432 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.556 7.004 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.296 9.681 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.132 9.506 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.640 10.252 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.099 8.711 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.289 8.881 -1.630 1.00 0.00 H new ATOM 105 N LEU A 7 -9.088 4.129 -2.280 1.00 0.00 N ATOM 106 CA LEU A 7 -9.512 2.955 -3.084 1.00 0.00 C ATOM 107 C LEU A 7 -11.036 2.852 -3.051 1.00 0.00 C ATOM 108 O LEU A 7 -11.673 3.256 -2.099 1.00 0.00 O ATOM 109 CB LEU A 7 -8.907 1.681 -2.492 1.00 0.00 C ATOM 110 CG LEU A 7 -8.891 1.766 -0.965 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.132 0.375 -0.376 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.531 2.287 -0.498 1.00 0.00 C ATOM 0 H LEU A 7 -8.925 3.941 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.170 3.074 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.485 0.813 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.893 1.543 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.675 2.445 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.121 0.434 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.100 0.001 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.347 -0.303 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.519 2.348 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.747 1.608 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.357 3.277 -0.919 1.00 0.00 H new ATOM 124 N GLY A 8 -11.628 2.315 -4.081 1.00 0.00 N ATOM 125 CA GLY A 8 -13.112 2.188 -4.102 1.00 0.00 C ATOM 126 C GLY A 8 -13.685 3.008 -5.258 1.00 0.00 C ATOM 127 O GLY A 8 -14.375 3.988 -5.054 1.00 0.00 O ATOM 0 H GLY A 8 -11.149 1.959 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.395 1.141 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.529 2.534 -3.156 1.00 0.00 H new ATOM 131 N SER A 9 -13.411 2.616 -6.472 1.00 0.00 N ATOM 132 CA SER A 9 -13.949 3.372 -7.637 1.00 0.00 C ATOM 133 C SER A 9 -15.456 3.556 -7.466 1.00 0.00 C ATOM 134 O SER A 9 -16.052 4.455 -8.026 1.00 0.00 O ATOM 135 CB SER A 9 -13.678 2.588 -8.919 1.00 0.00 C ATOM 136 OG SER A 9 -13.647 1.198 -8.622 1.00 0.00 O ATOM 0 H SER A 9 -12.838 1.805 -6.707 1.00 0.00 H new ATOM 0 HA SER A 9 -13.465 4.347 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.452 2.797 -9.657 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.729 2.900 -9.356 1.00 0.00 H new ATOM 0 HG SER A 9 -14.253 1.009 -7.875 1.00 0.00 H new ATOM 142 N ASP A 10 -16.073 2.702 -6.696 1.00 0.00 N ATOM 143 CA ASP A 10 -17.544 2.803 -6.475 1.00 0.00 C ATOM 144 C ASP A 10 -18.281 2.184 -7.663 1.00 0.00 C ATOM 145 O ASP A 10 -19.382 2.574 -7.997 1.00 0.00 O ATOM 146 CB ASP A 10 -17.948 4.272 -6.329 1.00 0.00 C ATOM 147 CG ASP A 10 -19.135 4.380 -5.371 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.610 3.347 -4.929 1.00 0.00 O ATOM 149 OD2 ASP A 10 -19.550 5.494 -5.096 1.00 0.00 O ATOM 0 H ASP A 10 -15.617 1.932 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.808 2.268 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.108 4.856 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.213 4.686 -7.302 1.00 0.00 H new ATOM 154 N LYS A 11 -17.682 1.216 -8.303 1.00 0.00 N ATOM 155 CA LYS A 11 -18.349 0.567 -9.466 1.00 0.00 C ATOM 156 C LYS A 11 -18.470 -0.935 -9.203 1.00 0.00 C ATOM 157 O LYS A 11 -18.655 -1.722 -10.110 1.00 0.00 O ATOM 158 CB LYS A 11 -17.518 0.799 -10.731 1.00 0.00 C ATOM 159 CG LYS A 11 -18.262 1.760 -11.661 1.00 0.00 C ATOM 160 CD LYS A 11 -17.779 1.560 -13.100 1.00 0.00 C ATOM 161 CE LYS A 11 -18.379 0.272 -13.667 1.00 0.00 C ATOM 162 NZ LYS A 11 -19.368 0.611 -14.729 1.00 0.00 N ATOM 0 H LYS A 11 -16.760 0.847 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.341 0.997 -9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.544 1.211 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.337 -0.148 -11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.336 1.583 -11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.090 2.790 -11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.072 2.411 -13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.691 1.508 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.591 -0.359 -14.077 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.862 -0.297 -12.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.776 -0.264 -15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.125 1.197 -14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.893 1.137 -15.490 1.00 0.00 H new ATOM 176 N GLY A 12 -18.367 -1.339 -7.967 1.00 0.00 N ATOM 177 CA GLY A 12 -18.475 -2.790 -7.644 1.00 0.00 C ATOM 178 C GLY A 12 -17.073 -3.391 -7.523 1.00 0.00 C ATOM 179 O GLY A 12 -16.907 -4.593 -7.463 1.00 0.00 O ATOM 0 H GLY A 12 -18.213 -0.727 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.022 -2.926 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.038 -3.306 -8.422 1.00 0.00 H new ATOM 183 N LEU A 13 -16.064 -2.564 -7.487 1.00 0.00 N ATOM 184 CA LEU A 13 -14.673 -3.088 -7.371 1.00 0.00 C ATOM 185 C LEU A 13 -13.768 -2.003 -6.784 1.00 0.00 C ATOM 186 O LEU A 13 -13.926 -0.831 -7.065 1.00 0.00 O ATOM 187 CB LEU A 13 -14.159 -3.486 -8.757 1.00 0.00 C ATOM 188 CG LEU A 13 -13.537 -4.881 -8.692 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.559 -5.916 -9.166 1.00 0.00 C ATOM 190 CD2 LEU A 13 -12.302 -4.930 -9.595 1.00 0.00 C ATOM 0 H LEU A 13 -16.143 -1.548 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 13 -14.667 -3.960 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -14.978 -3.475 -9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.420 -2.763 -9.103 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.245 -5.103 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.117 -6.911 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.439 -5.880 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.851 -5.695 -10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.857 -5.924 -9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.593 -4.709 -10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.575 -4.192 -9.257 1.00 0.00 H new ATOM 202 N LEU A 14 -12.819 -2.381 -5.973 1.00 0.00 N ATOM 203 CA LEU A 14 -11.905 -1.369 -5.374 1.00 0.00 C ATOM 204 C LEU A 14 -10.570 -1.387 -6.122 1.00 0.00 C ATOM 205 O LEU A 14 -10.095 -2.426 -6.538 1.00 0.00 O ATOM 206 CB LEU A 14 -11.672 -1.696 -3.894 1.00 0.00 C ATOM 207 CG LEU A 14 -12.951 -2.270 -3.267 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.908 -2.064 -1.753 1.00 0.00 C ATOM 209 CD2 LEU A 14 -14.185 -1.558 -3.828 1.00 0.00 C ATOM 0 H LEU A 14 -12.637 -3.347 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.354 -0.379 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.858 -2.414 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.369 -0.796 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.011 -3.333 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.815 -2.470 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.038 -2.576 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.840 -0.999 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.084 -1.976 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.125 -0.493 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.226 -1.697 -4.908 1.00 0.00 H new ATOM 221 N VAL A 15 -9.962 -0.246 -6.300 1.00 0.00 N ATOM 222 CA VAL A 15 -8.661 -0.202 -7.024 1.00 0.00 C ATOM 223 C VAL A 15 -7.868 1.026 -6.579 1.00 0.00 C ATOM 224 O VAL A 15 -8.366 2.134 -6.586 1.00 0.00 O ATOM 225 CB VAL A 15 -8.917 -0.117 -8.530 1.00 0.00 C ATOM 226 CG1 VAL A 15 -9.212 -1.513 -9.077 1.00 0.00 C ATOM 227 CG2 VAL A 15 -10.116 0.797 -8.795 1.00 0.00 C ATOM 0 H VAL A 15 -10.310 0.656 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.093 -1.105 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.034 0.289 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.394 -1.452 -10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.359 -2.165 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.094 -1.919 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.298 0.857 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.999 0.392 -8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.907 1.794 -8.406 1.00 0.00 H new ATOM 237 N PHE A 16 -6.635 0.842 -6.195 1.00 0.00 N ATOM 238 CA PHE A 16 -5.818 2.006 -5.757 1.00 0.00 C ATOM 239 C PHE A 16 -5.940 3.122 -6.795 1.00 0.00 C ATOM 240 O PHE A 16 -5.989 2.876 -7.984 1.00 0.00 O ATOM 241 CB PHE A 16 -4.353 1.587 -5.624 1.00 0.00 C ATOM 242 CG PHE A 16 -4.162 0.837 -4.329 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.590 -0.491 -4.223 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.559 1.468 -3.235 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.414 -1.189 -3.022 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.382 0.771 -2.035 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.810 -0.558 -1.928 1.00 0.00 C ATOM 0 H PHE A 16 -6.160 -0.060 -6.166 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.177 2.362 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.065 0.959 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.708 2.466 -5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.056 -0.977 -5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.230 2.493 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.744 -2.214 -2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.915 1.258 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.674 -1.096 -1.002 1.00 0.00 H new ATOM 257 N GLU A 17 -5.995 4.347 -6.355 1.00 0.00 N ATOM 258 CA GLU A 17 -6.117 5.477 -7.317 1.00 0.00 C ATOM 259 C GLU A 17 -5.168 6.605 -6.895 1.00 0.00 C ATOM 260 O GLU A 17 -5.396 7.253 -5.893 1.00 0.00 O ATOM 261 CB GLU A 17 -7.557 5.995 -7.307 1.00 0.00 C ATOM 262 CG GLU A 17 -8.437 5.075 -8.155 1.00 0.00 C ATOM 263 CD GLU A 17 -9.702 5.826 -8.573 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.582 6.972 -8.973 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.770 5.243 -8.483 1.00 0.00 O ATOM 0 H GLU A 17 -5.961 4.615 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.858 5.136 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.933 6.035 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.592 7.011 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.890 4.742 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.701 4.182 -7.588 1.00 0.00 H new ATOM 272 N PRO A 18 -4.126 6.808 -7.665 1.00 0.00 N ATOM 273 CA PRO A 18 -3.843 6.026 -8.883 1.00 0.00 C ATOM 274 C PRO A 18 -3.262 4.656 -8.522 1.00 0.00 C ATOM 275 O PRO A 18 -3.122 4.315 -7.365 1.00 0.00 O ATOM 276 CB PRO A 18 -2.810 6.880 -9.621 1.00 0.00 C ATOM 277 CG PRO A 18 -2.150 7.786 -8.561 1.00 0.00 C ATOM 278 CD PRO A 18 -3.123 7.850 -7.375 1.00 0.00 C ATOM 0 HA PRO A 18 -4.733 5.826 -9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.066 6.251 -10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.285 7.477 -10.399 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.186 7.382 -8.251 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.963 8.782 -8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.612 7.658 -6.431 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.585 8.834 -7.293 1.00 0.00 H new ATOM 286 N ALA A 19 -2.925 3.867 -9.506 1.00 0.00 N ATOM 287 CA ALA A 19 -2.358 2.522 -9.223 1.00 0.00 C ATOM 288 C ALA A 19 -0.867 2.646 -8.903 1.00 0.00 C ATOM 289 O ALA A 19 -0.180 1.662 -8.715 1.00 0.00 O ATOM 290 CB ALA A 19 -2.544 1.623 -10.447 1.00 0.00 C ATOM 0 H ALA A 19 -3.019 4.098 -10.495 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.874 2.086 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.129 0.637 -10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.606 1.529 -10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.030 2.062 -11.302 1.00 0.00 H new ATOM 296 N LYS A 20 -0.359 3.846 -8.839 1.00 0.00 N ATOM 297 CA LYS A 20 1.088 4.026 -8.530 1.00 0.00 C ATOM 298 C LYS A 20 1.280 5.304 -7.714 1.00 0.00 C ATOM 299 O LYS A 20 0.432 6.174 -7.696 1.00 0.00 O ATOM 300 CB LYS A 20 1.879 4.128 -9.837 1.00 0.00 C ATOM 301 CG LYS A 20 1.351 5.303 -10.664 1.00 0.00 C ATOM 302 CD LYS A 20 1.638 5.055 -12.147 1.00 0.00 C ATOM 303 CE LYS A 20 0.493 5.620 -12.991 1.00 0.00 C ATOM 304 NZ LYS A 20 0.949 5.785 -14.401 1.00 0.00 N ATOM 0 H LYS A 20 -0.882 4.709 -8.987 1.00 0.00 H new ATOM 0 HA LYS A 20 1.447 3.172 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.939 4.267 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.787 3.201 -10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.279 5.420 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.825 6.230 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.579 5.527 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.748 3.987 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.367 4.951 -12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.169 6.579 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.171 6.169 -14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.757 6.440 -14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.238 4.862 -14.783 1.00 0.00 H new ATOM 318 N LEU A 21 2.388 5.426 -7.035 1.00 0.00 N ATOM 319 CA LEU A 21 2.628 6.649 -6.219 1.00 0.00 C ATOM 320 C LEU A 21 4.130 6.822 -5.989 1.00 0.00 C ATOM 321 O LEU A 21 4.835 5.878 -5.693 1.00 0.00 O ATOM 322 CB LEU A 21 1.921 6.509 -4.870 1.00 0.00 C ATOM 323 CG LEU A 21 0.812 7.558 -4.764 1.00 0.00 C ATOM 324 CD1 LEU A 21 -0.143 7.181 -3.631 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.431 8.927 -4.471 1.00 0.00 C ATOM 0 H LEU A 21 3.136 4.733 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 21 2.237 7.519 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.501 5.508 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.636 6.637 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 21 0.262 7.599 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.932 7.929 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.585 6.206 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.407 7.139 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.641 9.675 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.981 8.884 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.112 9.199 -5.278 1.00 0.00 H new ATOM 337 N THR A 22 4.624 8.022 -6.119 1.00 0.00 N ATOM 338 CA THR A 22 6.079 8.254 -5.905 1.00 0.00 C ATOM 339 C THR A 22 6.288 8.939 -4.553 1.00 0.00 C ATOM 340 O THR A 22 6.130 10.136 -4.421 1.00 0.00 O ATOM 341 CB THR A 22 6.624 9.150 -7.021 1.00 0.00 C ATOM 342 OG1 THR A 22 6.617 8.432 -8.247 1.00 0.00 O ATOM 343 CG2 THR A 22 8.054 9.576 -6.685 1.00 0.00 C ATOM 0 H THR A 22 4.083 8.851 -6.364 1.00 0.00 H new ATOM 0 HA THR A 22 6.606 7.300 -5.917 1.00 0.00 H new ATOM 0 HB THR A 22 5.997 10.037 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.964 9.004 -8.963 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.440 10.214 -7.480 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.058 10.127 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.684 8.692 -6.591 1.00 0.00 H new ATOM 351 N ILE A 23 6.641 8.188 -3.546 1.00 0.00 N ATOM 352 CA ILE A 23 6.856 8.794 -2.206 1.00 0.00 C ATOM 353 C ILE A 23 8.347 9.005 -1.976 1.00 0.00 C ATOM 354 O ILE A 23 9.173 8.577 -2.756 1.00 0.00 O ATOM 355 CB ILE A 23 6.319 7.859 -1.122 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.864 6.446 -1.352 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.794 7.835 -1.181 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.524 5.928 -0.069 1.00 0.00 C ATOM 0 H ILE A 23 6.789 7.180 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 23 6.332 9.749 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 23 6.638 8.215 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.055 5.779 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.588 6.454 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.410 7.169 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.408 8.841 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.473 7.478 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.910 4.923 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.344 6.589 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.788 5.903 0.734 1.00 0.00 H new ATOM 370 N LYS A 24 8.700 9.648 -0.902 1.00 0.00 N ATOM 371 CA LYS A 24 10.140 9.864 -0.616 1.00 0.00 C ATOM 372 C LYS A 24 10.616 8.753 0.323 1.00 0.00 C ATOM 373 O LYS A 24 9.833 7.920 0.731 1.00 0.00 O ATOM 374 CB LYS A 24 10.337 11.231 0.044 1.00 0.00 C ATOM 375 CG LYS A 24 11.242 12.096 -0.837 1.00 0.00 C ATOM 376 CD LYS A 24 10.462 13.309 -1.346 1.00 0.00 C ATOM 377 CE LYS A 24 11.406 14.236 -2.113 1.00 0.00 C ATOM 378 NZ LYS A 24 11.128 15.650 -1.736 1.00 0.00 N ATOM 0 H LYS A 24 8.055 10.032 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 24 10.716 9.841 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.374 11.721 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.781 11.109 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.112 12.424 -0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.613 11.511 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.647 12.985 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.011 13.843 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.442 13.985 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.272 14.102 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.770 16.281 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.143 15.885 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.277 15.772 -0.714 1.00 0.00 H new ATOM 392 N PRO A 25 11.881 8.766 0.637 1.00 0.00 N ATOM 393 CA PRO A 25 12.476 7.756 1.526 1.00 0.00 C ATOM 394 C PRO A 25 12.108 8.047 2.984 1.00 0.00 C ATOM 395 O PRO A 25 12.932 8.477 3.766 1.00 0.00 O ATOM 396 CB PRO A 25 13.981 7.911 1.289 1.00 0.00 C ATOM 397 CG PRO A 25 14.188 9.339 0.729 1.00 0.00 C ATOM 398 CD PRO A 25 12.833 9.782 0.147 1.00 0.00 C ATOM 0 HA PRO A 25 12.126 6.743 1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.537 7.773 2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.343 7.161 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.514 10.020 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.961 9.346 -0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.560 10.781 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.858 9.812 -0.942 1.00 0.00 H new ATOM 406 N GLY A 26 10.876 7.813 3.358 1.00 0.00 N ATOM 407 CA GLY A 26 10.469 8.076 4.769 1.00 0.00 C ATOM 408 C GLY A 26 9.246 8.993 4.803 1.00 0.00 C ATOM 409 O GLY A 26 9.039 9.730 5.747 1.00 0.00 O ATOM 0 H GLY A 26 10.139 7.454 2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.242 7.136 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.293 8.537 5.313 1.00 0.00 H new ATOM 413 N ASP A 27 8.428 8.947 3.791 1.00 0.00 N ATOM 414 CA ASP A 27 7.214 9.809 3.779 1.00 0.00 C ATOM 415 C ASP A 27 6.072 9.064 4.472 1.00 0.00 C ATOM 416 O ASP A 27 6.287 8.074 5.143 1.00 0.00 O ATOM 417 CB ASP A 27 6.827 10.125 2.333 1.00 0.00 C ATOM 418 CG ASP A 27 7.762 11.203 1.781 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.910 11.230 2.193 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.313 11.984 0.958 1.00 0.00 O ATOM 0 H ASP A 27 8.547 8.351 2.972 1.00 0.00 H new ATOM 0 HA ASP A 27 7.414 10.743 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.892 9.224 1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.793 10.467 2.288 1.00 0.00 H new ATOM 425 N THR A 28 4.860 9.522 4.321 1.00 0.00 N ATOM 426 CA THR A 28 3.725 8.826 4.977 1.00 0.00 C ATOM 427 C THR A 28 2.553 8.717 4.000 1.00 0.00 C ATOM 428 O THR A 28 1.921 9.698 3.660 1.00 0.00 O ATOM 429 CB THR A 28 3.288 9.610 6.216 1.00 0.00 C ATOM 430 OG1 THR A 28 4.428 9.901 7.015 1.00 0.00 O ATOM 431 CG2 THR A 28 2.294 8.776 7.027 1.00 0.00 C ATOM 0 H THR A 28 4.610 10.345 3.773 1.00 0.00 H new ATOM 0 HA THR A 28 4.040 7.826 5.275 1.00 0.00 H new ATOM 0 HB THR A 28 2.811 10.540 5.908 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.151 10.404 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.984 9.336 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.421 8.552 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.768 7.845 7.337 1.00 0.00 H new ATOM 439 N VAL A 29 2.256 7.530 3.550 1.00 0.00 N ATOM 440 CA VAL A 29 1.128 7.351 2.601 1.00 0.00 C ATOM 441 C VAL A 29 -0.102 6.867 3.371 1.00 0.00 C ATOM 442 O VAL A 29 -0.010 6.005 4.223 1.00 0.00 O ATOM 443 CB VAL A 29 1.510 6.315 1.542 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.721 6.577 0.258 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.009 6.415 1.248 1.00 0.00 C ATOM 0 H VAL A 29 2.750 6.674 3.801 1.00 0.00 H new ATOM 0 HA VAL A 29 0.905 8.299 2.112 1.00 0.00 H new ATOM 0 HB VAL A 29 1.277 5.317 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.995 5.838 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.347 6.505 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.952 7.575 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.282 5.677 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.242 7.414 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.572 6.225 2.162 1.00 0.00 H new ATOM 455 N GLU A 30 -1.251 7.418 3.091 1.00 0.00 N ATOM 456 CA GLU A 30 -2.474 6.992 3.820 1.00 0.00 C ATOM 457 C GLU A 30 -3.341 6.104 2.924 1.00 0.00 C ATOM 458 O GLU A 30 -3.464 6.329 1.736 1.00 0.00 O ATOM 459 CB GLU A 30 -3.274 8.226 4.242 1.00 0.00 C ATOM 460 CG GLU A 30 -2.331 9.266 4.849 1.00 0.00 C ATOM 461 CD GLU A 30 -2.969 9.865 6.105 1.00 0.00 C ATOM 462 OE1 GLU A 30 -3.981 9.341 6.540 1.00 0.00 O ATOM 463 OE2 GLU A 30 -2.434 10.838 6.610 1.00 0.00 O ATOM 0 H GLU A 30 -1.394 8.144 2.389 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.180 6.425 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.791 8.648 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.038 7.946 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.376 8.804 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.125 10.052 4.123 1.00 0.00 H new ATOM 470 N PHE A 31 -3.953 5.103 3.495 1.00 0.00 N ATOM 471 CA PHE A 31 -4.829 4.196 2.698 1.00 0.00 C ATOM 472 C PHE A 31 -6.070 3.867 3.534 1.00 0.00 C ATOM 473 O PHE A 31 -5.990 3.718 4.736 1.00 0.00 O ATOM 474 CB PHE A 31 -4.080 2.897 2.353 1.00 0.00 C ATOM 475 CG PHE A 31 -2.586 3.096 2.495 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.841 3.627 1.434 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.945 2.746 3.690 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.459 3.807 1.569 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.564 2.926 3.825 1.00 0.00 C ATOM 480 CZ PHE A 31 0.179 3.456 2.764 1.00 0.00 C ATOM 0 H PHE A 31 -3.884 4.872 4.486 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.116 4.686 1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.410 2.093 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.318 2.592 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.333 3.898 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.518 2.336 4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.115 4.217 0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.072 2.656 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.245 3.594 2.868 1.00 0.00 H new ATOM 490 N LEU A 32 -7.219 3.768 2.921 1.00 0.00 N ATOM 491 CA LEU A 32 -8.447 3.463 3.706 1.00 0.00 C ATOM 492 C LEU A 32 -9.353 2.502 2.933 1.00 0.00 C ATOM 493 O LEU A 32 -8.972 1.946 1.922 1.00 0.00 O ATOM 494 CB LEU A 32 -9.203 4.762 3.993 1.00 0.00 C ATOM 495 CG LEU A 32 -9.333 5.571 2.703 1.00 0.00 C ATOM 496 CD1 LEU A 32 -10.507 6.544 2.827 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.043 6.358 2.465 1.00 0.00 C ATOM 0 H LEU A 32 -7.359 3.884 1.917 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.157 2.990 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.191 4.539 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.674 5.344 4.748 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.508 4.895 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.600 7.121 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.427 5.985 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.332 7.220 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.134 6.936 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.869 7.034 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.205 5.666 2.378 1.00 0.00 H new ATOM 509 N ASN A 33 -10.556 2.305 3.409 1.00 0.00 N ATOM 510 CA ASN A 33 -11.498 1.382 2.716 1.00 0.00 C ATOM 511 C ASN A 33 -12.692 2.182 2.181 1.00 0.00 C ATOM 512 O ASN A 33 -13.022 3.232 2.695 1.00 0.00 O ATOM 513 CB ASN A 33 -11.957 0.294 3.704 1.00 0.00 C ATOM 514 CG ASN A 33 -13.172 0.733 4.524 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.586 1.873 4.490 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.753 -0.147 5.289 1.00 0.00 N ATOM 0 H ASN A 33 -10.925 2.746 4.251 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.004 0.899 1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.201 -0.614 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.136 0.048 4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.555 0.123 5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.406 -1.106 5.318 1.00 0.00 H new ATOM 523 N ASN A 34 -13.337 1.705 1.153 1.00 0.00 N ATOM 524 CA ASN A 34 -14.501 2.455 0.598 1.00 0.00 C ATOM 525 C ASN A 34 -15.804 1.826 1.098 1.00 0.00 C ATOM 526 O ASN A 34 -16.345 2.223 2.111 1.00 0.00 O ATOM 527 CB ASN A 34 -14.458 2.409 -0.931 1.00 0.00 C ATOM 528 CG ASN A 34 -15.682 3.128 -1.498 1.00 0.00 C ATOM 529 OD1 ASN A 34 -16.279 3.952 -0.835 1.00 0.00 O ATOM 530 ND2 ASN A 34 -16.085 2.849 -2.707 1.00 0.00 N ATOM 0 H ASN A 34 -13.111 0.833 0.674 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.454 3.493 0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.545 2.881 -1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.440 1.374 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.901 3.323 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.584 2.157 -3.265 1.00 0.00 H new ATOM 537 N LYS A 35 -16.316 0.849 0.399 1.00 0.00 N ATOM 538 CA LYS A 35 -17.582 0.204 0.842 1.00 0.00 C ATOM 539 C LYS A 35 -17.523 -1.290 0.524 1.00 0.00 C ATOM 540 O LYS A 35 -18.520 -1.912 0.212 1.00 0.00 O ATOM 541 CB LYS A 35 -18.763 0.841 0.106 1.00 0.00 C ATOM 542 CG LYS A 35 -19.932 1.030 1.076 1.00 0.00 C ATOM 543 CD LYS A 35 -20.454 2.465 0.970 1.00 0.00 C ATOM 544 CE LYS A 35 -19.399 3.435 1.507 1.00 0.00 C ATOM 545 NZ LYS A 35 -20.056 4.451 2.378 1.00 0.00 N ATOM 0 H LYS A 35 -15.912 0.471 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.710 0.343 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.467 1.802 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.068 0.209 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.729 0.323 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.609 0.823 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.686 2.703 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -21.380 2.569 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.643 2.890 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.886 3.926 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.340 5.111 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.762 4.978 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.526 3.974 3.174 1.00 0.00 H new ATOM 559 N VAL A 36 -16.358 -1.868 0.605 1.00 0.00 N ATOM 560 CA VAL A 36 -16.216 -3.323 0.311 1.00 0.00 C ATOM 561 C VAL A 36 -15.005 -3.873 1.071 1.00 0.00 C ATOM 562 O VAL A 36 -14.038 -4.296 0.471 1.00 0.00 O ATOM 563 CB VAL A 36 -16.012 -3.527 -1.192 1.00 0.00 C ATOM 564 CG1 VAL A 36 -15.835 -5.018 -1.489 1.00 0.00 C ATOM 565 CG2 VAL A 36 -17.233 -2.998 -1.948 1.00 0.00 C ATOM 0 H VAL A 36 -15.493 -1.394 0.863 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.118 -3.849 0.625 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.122 -2.986 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.690 -5.161 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.965 -5.395 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.724 -5.561 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.089 -3.143 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.123 -3.538 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.358 -1.936 -1.739 1.00 0.00 H new ATOM 575 N PRO A 37 -15.096 -3.844 2.374 1.00 0.00 N ATOM 576 CA PRO A 37 -14.023 -4.331 3.260 1.00 0.00 C ATOM 577 C PRO A 37 -14.069 -5.860 3.367 1.00 0.00 C ATOM 578 O PRO A 37 -14.973 -6.488 2.852 1.00 0.00 O ATOM 579 CB PRO A 37 -14.361 -3.686 4.607 1.00 0.00 C ATOM 580 CG PRO A 37 -15.872 -3.354 4.571 1.00 0.00 C ATOM 581 CD PRO A 37 -16.279 -3.317 3.087 1.00 0.00 C ATOM 0 HA PRO A 37 -13.024 -4.080 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.133 -4.364 5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.770 -2.784 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.447 -4.106 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.070 -2.396 5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.162 -3.929 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.520 -2.304 2.765 1.00 0.00 H new ATOM 589 N PRO A 38 -13.106 -6.411 4.064 1.00 0.00 N ATOM 590 CA PRO A 38 -12.010 -5.648 4.689 1.00 0.00 C ATOM 591 C PRO A 38 -10.867 -5.433 3.695 1.00 0.00 C ATOM 592 O PRO A 38 -10.970 -5.761 2.532 1.00 0.00 O ATOM 593 CB PRO A 38 -11.548 -6.567 5.821 1.00 0.00 C ATOM 594 CG PRO A 38 -11.971 -8.002 5.418 1.00 0.00 C ATOM 595 CD PRO A 38 -13.047 -7.861 4.325 1.00 0.00 C ATOM 0 HA PRO A 38 -12.319 -4.659 5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.468 -6.504 5.957 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.006 -6.278 6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.116 -8.567 5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.363 -8.545 6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.778 -8.417 3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.010 -8.245 4.662 1.00 0.00 H new ATOM 603 N HIS A 39 -9.770 -4.895 4.155 1.00 0.00 N ATOM 604 CA HIS A 39 -8.613 -4.668 3.247 1.00 0.00 C ATOM 605 C HIS A 39 -7.317 -5.053 3.962 1.00 0.00 C ATOM 606 O HIS A 39 -7.253 -5.105 5.174 1.00 0.00 O ATOM 607 CB HIS A 39 -8.549 -3.192 2.846 1.00 0.00 C ATOM 608 CG HIS A 39 -9.630 -2.895 1.844 1.00 0.00 C ATOM 609 ND1 HIS A 39 -10.963 -2.609 1.999 1.00 0.00 N flip ATOM 610 CD2 HIS A 39 -9.386 -2.872 0.471 1.00 0.00 C flip ATOM 611 CE1 HIS A 39 -11.537 -2.419 0.755 1.00 0.00 C flip ATOM 612 NE2 HIS A 39 -10.554 -2.577 -0.128 1.00 0.00 N flip ATOM 0 H HIS A 39 -9.626 -4.603 5.122 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.735 -5.281 2.354 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.671 -2.560 3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.572 -2.962 2.421 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.453 -2.546 2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.441 -3.056 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.571 -2.189 0.544 1.00 0.00 H new ATOM 620 N ASN A 40 -6.282 -5.314 3.215 1.00 0.00 N ATOM 621 CA ASN A 40 -4.981 -5.688 3.832 1.00 0.00 C ATOM 622 C ASN A 40 -3.858 -4.981 3.072 1.00 0.00 C ATOM 623 O ASN A 40 -3.673 -5.186 1.889 1.00 0.00 O ATOM 624 CB ASN A 40 -4.788 -7.204 3.747 1.00 0.00 C ATOM 625 CG ASN A 40 -3.981 -7.687 4.954 1.00 0.00 C ATOM 626 OD1 ASN A 40 -3.595 -6.901 5.796 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.706 -8.957 5.073 1.00 0.00 N ATOM 0 H ASN A 40 -6.282 -5.284 2.195 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.966 -5.388 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.757 -7.703 3.721 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.271 -7.464 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.167 -9.289 5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.030 -9.617 4.366 1.00 0.00 H new ATOM 634 N VAL A 41 -3.116 -4.139 3.737 1.00 0.00 N ATOM 635 CA VAL A 41 -2.016 -3.410 3.045 1.00 0.00 C ATOM 636 C VAL A 41 -0.680 -4.097 3.336 1.00 0.00 C ATOM 637 O VAL A 41 -0.190 -4.079 4.447 1.00 0.00 O ATOM 638 CB VAL A 41 -1.980 -1.962 3.546 1.00 0.00 C ATOM 639 CG1 VAL A 41 -0.636 -1.318 3.195 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.106 -1.173 2.877 1.00 0.00 C ATOM 0 H VAL A 41 -3.224 -3.924 4.728 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.190 -3.417 1.969 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.108 -1.953 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.620 -0.289 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.171 -1.880 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.500 -1.326 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.086 -0.142 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.970 -1.190 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.066 -1.624 3.129 1.00 0.00 H new ATOM 650 N VAL A 42 -0.088 -4.704 2.342 1.00 0.00 N ATOM 651 CA VAL A 42 1.217 -5.393 2.557 1.00 0.00 C ATOM 652 C VAL A 42 2.163 -5.057 1.402 1.00 0.00 C ATOM 653 O VAL A 42 1.746 -4.602 0.356 1.00 0.00 O ATOM 654 CB VAL A 42 1.001 -6.911 2.606 1.00 0.00 C ATOM 655 CG1 VAL A 42 2.280 -7.593 3.094 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.143 -7.245 3.567 1.00 0.00 C ATOM 0 H VAL A 42 -0.452 -4.752 1.390 1.00 0.00 H new ATOM 0 HA VAL A 42 1.649 -5.058 3.500 1.00 0.00 H new ATOM 0 HB VAL A 42 0.750 -7.266 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.127 -8.672 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.098 -7.365 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.528 -7.229 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.290 -8.325 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.104 -6.885 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.059 -6.763 3.224 1.00 0.00 H new ATOM 666 N PHE A 43 3.436 -5.277 1.585 1.00 0.00 N ATOM 667 CA PHE A 43 4.408 -4.967 0.501 1.00 0.00 C ATOM 668 C PHE A 43 5.075 -6.259 0.024 1.00 0.00 C ATOM 669 O PHE A 43 5.705 -6.965 0.786 1.00 0.00 O ATOM 670 CB PHE A 43 5.462 -4.000 1.041 1.00 0.00 C ATOM 671 CG PHE A 43 4.768 -2.919 1.819 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.202 -1.823 1.157 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.683 -3.018 3.207 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.551 -0.826 1.892 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.035 -2.024 3.937 1.00 0.00 C ATOM 676 CZ PHE A 43 3.470 -0.931 3.285 1.00 0.00 C ATOM 0 H PHE A 43 3.844 -5.658 2.439 1.00 0.00 H new ATOM 0 HA PHE A 43 3.891 -4.507 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.170 -4.530 1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.034 -3.567 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.268 -1.747 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.119 -3.865 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.113 0.021 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.971 -2.101 5.012 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.968 -0.163 3.855 1.00 0.00 H new ATOM 686 N ASP A 44 4.934 -6.573 -1.235 1.00 0.00 N ATOM 687 CA ASP A 44 5.550 -7.820 -1.771 1.00 0.00 C ATOM 688 C ASP A 44 6.978 -7.962 -1.239 1.00 0.00 C ATOM 689 O ASP A 44 7.711 -6.999 -1.134 1.00 0.00 O ATOM 690 CB ASP A 44 5.579 -7.753 -3.299 1.00 0.00 C ATOM 691 CG ASP A 44 5.957 -9.123 -3.865 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.703 -10.109 -3.194 1.00 0.00 O ATOM 693 OD2 ASP A 44 6.494 -9.162 -4.959 1.00 0.00 O ATOM 0 H ASP A 44 4.417 -6.018 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 44 4.961 -8.680 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.604 -7.448 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.298 -7.002 -3.627 1.00 0.00 H new ATOM 698 N ALA A 45 7.377 -9.159 -0.903 1.00 0.00 N ATOM 699 CA ALA A 45 8.753 -9.366 -0.379 1.00 0.00 C ATOM 700 C ALA A 45 9.685 -9.770 -1.525 1.00 0.00 C ATOM 701 O ALA A 45 10.859 -10.012 -1.325 1.00 0.00 O ATOM 702 CB ALA A 45 8.735 -10.473 0.677 1.00 0.00 C ATOM 0 H ALA A 45 6.807 -10.002 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 45 9.112 -8.440 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.743 -10.625 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.074 -10.185 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.374 -11.398 0.228 1.00 0.00 H new ATOM 708 N ALA A 46 9.173 -9.847 -2.723 1.00 0.00 N ATOM 709 CA ALA A 46 10.033 -10.238 -3.877 1.00 0.00 C ATOM 710 C ALA A 46 10.419 -8.990 -4.674 1.00 0.00 C ATOM 711 O ALA A 46 11.439 -8.954 -5.332 1.00 0.00 O ATOM 712 CB ALA A 46 9.264 -11.204 -4.780 1.00 0.00 C ATOM 0 H ALA A 46 8.198 -9.656 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 46 10.936 -10.725 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.891 -11.491 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.991 -12.093 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.361 -10.717 -5.148 1.00 0.00 H new ATOM 718 N LEU A 47 9.612 -7.965 -4.618 1.00 0.00 N ATOM 719 CA LEU A 47 9.937 -6.721 -5.372 1.00 0.00 C ATOM 720 C LEU A 47 10.649 -5.738 -4.441 1.00 0.00 C ATOM 721 O LEU A 47 10.168 -4.653 -4.184 1.00 0.00 O ATOM 722 CB LEU A 47 8.647 -6.085 -5.893 1.00 0.00 C ATOM 723 CG LEU A 47 8.279 -6.704 -7.243 1.00 0.00 C ATOM 724 CD1 LEU A 47 9.256 -6.213 -8.314 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.357 -8.229 -7.144 1.00 0.00 C ATOM 0 H LEU A 47 8.744 -7.935 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 47 10.585 -6.964 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.839 -6.240 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.777 -5.008 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 47 7.265 -6.408 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.994 -6.654 -9.276 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.201 -5.127 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.270 -6.508 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.095 -8.670 -8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.371 -8.525 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.661 -8.580 -6.382 1.00 0.00 H new ATOM 737 N ASN A 48 11.791 -6.111 -3.933 1.00 0.00 N ATOM 738 CA ASN A 48 12.532 -5.199 -3.017 1.00 0.00 C ATOM 739 C ASN A 48 13.760 -4.637 -3.739 1.00 0.00 C ATOM 740 O ASN A 48 14.321 -5.285 -4.600 1.00 0.00 O ATOM 741 CB ASN A 48 12.983 -5.977 -1.780 1.00 0.00 C ATOM 742 CG ASN A 48 13.406 -7.387 -2.193 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.792 -7.611 -3.323 1.00 0.00 O ATOM 744 ND2 ASN A 48 13.352 -8.355 -1.320 1.00 0.00 N ATOM 0 H ASN A 48 12.243 -7.008 -4.112 1.00 0.00 H new ATOM 0 HA ASN A 48 11.880 -4.379 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.814 -5.463 -1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.173 -6.027 -1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.634 -9.298 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.028 -8.168 -0.371 1.00 0.00 H new ATOM 751 N PRO A 49 14.141 -3.445 -3.361 1.00 0.00 N ATOM 752 CA PRO A 49 15.305 -2.759 -3.950 1.00 0.00 C ATOM 753 C PRO A 49 16.604 -3.321 -3.368 1.00 0.00 C ATOM 754 O PRO A 49 17.685 -3.025 -3.839 1.00 0.00 O ATOM 755 CB PRO A 49 15.109 -1.299 -3.534 1.00 0.00 C ATOM 756 CG PRO A 49 14.192 -1.320 -2.288 1.00 0.00 C ATOM 757 CD PRO A 49 13.449 -2.669 -2.312 1.00 0.00 C ATOM 0 HA PRO A 49 15.376 -2.883 -5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.065 -0.829 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.656 -0.723 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.777 -1.216 -1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.487 -0.489 -2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.502 -3.170 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.392 -2.538 -2.545 1.00 0.00 H new ATOM 765 N ALA A 50 16.508 -4.129 -2.349 1.00 0.00 N ATOM 766 CA ALA A 50 17.737 -4.708 -1.740 1.00 0.00 C ATOM 767 C ALA A 50 17.530 -6.201 -1.499 1.00 0.00 C ATOM 768 O ALA A 50 18.071 -6.771 -0.573 1.00 0.00 O ATOM 769 CB ALA A 50 18.028 -4.008 -0.412 1.00 0.00 C ATOM 0 H ALA A 50 15.631 -4.413 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 50 18.580 -4.564 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.928 -4.432 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 50 18.178 -2.943 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.186 -4.149 0.266 1.00 0.00 H new ATOM 775 N LYS A 51 16.753 -6.833 -2.337 1.00 0.00 N ATOM 776 CA LYS A 51 16.494 -8.297 -2.187 1.00 0.00 C ATOM 777 C LYS A 51 16.410 -8.669 -0.704 1.00 0.00 C ATOM 778 O LYS A 51 16.890 -9.703 -0.286 1.00 0.00 O ATOM 779 CB LYS A 51 17.627 -9.085 -2.848 1.00 0.00 C ATOM 780 CG LYS A 51 18.946 -8.786 -2.133 1.00 0.00 C ATOM 781 CD LYS A 51 20.084 -9.545 -2.818 1.00 0.00 C ATOM 782 CE LYS A 51 21.423 -8.984 -2.341 1.00 0.00 C ATOM 783 NZ LYS A 51 22.448 -9.165 -3.408 1.00 0.00 N ATOM 0 H LYS A 51 16.281 -6.394 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 51 15.547 -8.542 -2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.413 -10.153 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.704 -8.816 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 51 19.147 -7.715 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.878 -9.080 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.019 -10.608 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.001 -9.449 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.320 -7.927 -2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.738 -9.492 -1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.359 -8.783 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.553 -10.178 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.148 -8.661 -4.267 1.00 0.00 H new ATOM 797 N SER A 52 15.806 -7.832 0.096 1.00 0.00 N ATOM 798 CA SER A 52 15.697 -8.139 1.550 1.00 0.00 C ATOM 799 C SER A 52 14.247 -8.487 1.893 1.00 0.00 C ATOM 800 O SER A 52 13.474 -8.880 1.043 1.00 0.00 O ATOM 801 CB SER A 52 16.132 -6.920 2.363 1.00 0.00 C ATOM 802 OG SER A 52 17.345 -6.408 1.828 1.00 0.00 O ATOM 0 H SER A 52 15.384 -6.950 -0.195 1.00 0.00 H new ATOM 0 HA SER A 52 16.340 -8.986 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.357 -6.154 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.270 -7.196 3.408 1.00 0.00 H new ATOM 0 HG SER A 52 17.610 -6.941 1.050 1.00 0.00 H new ATOM 808 N ALA A 53 13.875 -8.346 3.134 1.00 0.00 N ATOM 809 CA ALA A 53 12.476 -8.669 3.533 1.00 0.00 C ATOM 810 C ALA A 53 12.222 -8.168 4.956 1.00 0.00 C ATOM 811 O ALA A 53 11.491 -8.772 5.715 1.00 0.00 O ATOM 812 CB ALA A 53 12.267 -10.183 3.481 1.00 0.00 C ATOM 0 H ALA A 53 14.478 -8.021 3.890 1.00 0.00 H new ATOM 0 HA ALA A 53 11.782 -8.183 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.244 -10.419 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.447 -10.541 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.961 -10.670 4.166 1.00 0.00 H new ATOM 818 N ASP A 54 12.823 -7.071 5.326 1.00 0.00 N ATOM 819 CA ASP A 54 12.618 -6.539 6.697 1.00 0.00 C ATOM 820 C ASP A 54 11.840 -5.222 6.632 1.00 0.00 C ATOM 821 O ASP A 54 10.949 -4.978 7.422 1.00 0.00 O ATOM 822 CB ASP A 54 13.975 -6.296 7.360 1.00 0.00 C ATOM 823 CG ASP A 54 13.907 -6.711 8.830 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.688 -7.884 9.085 1.00 0.00 O ATOM 825 OD2 ASP A 54 14.074 -5.849 9.677 1.00 0.00 O ATOM 0 H ASP A 54 13.447 -6.521 4.736 1.00 0.00 H new ATOM 0 HA ASP A 54 12.051 -7.264 7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.750 -6.865 6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.247 -5.243 7.281 1.00 0.00 H new ATOM 830 N LEU A 55 12.170 -4.370 5.702 1.00 0.00 N ATOM 831 CA LEU A 55 11.449 -3.070 5.596 1.00 0.00 C ATOM 832 C LEU A 55 9.939 -3.317 5.667 1.00 0.00 C ATOM 833 O LEU A 55 9.192 -2.511 6.185 1.00 0.00 O ATOM 834 CB LEU A 55 11.807 -2.392 4.266 1.00 0.00 C ATOM 835 CG LEU A 55 11.006 -3.025 3.125 1.00 0.00 C ATOM 836 CD1 LEU A 55 9.643 -2.340 3.019 1.00 0.00 C ATOM 837 CD2 LEU A 55 11.768 -2.849 1.810 1.00 0.00 C ATOM 0 H LEU A 55 12.906 -4.517 5.012 1.00 0.00 H new ATOM 0 HA LEU A 55 11.744 -2.419 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.593 -1.325 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.875 -2.494 4.072 1.00 0.00 H new ATOM 0 HG LEU A 55 10.865 -4.087 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.072 -2.790 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.100 -2.463 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.784 -1.278 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.199 -3.299 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.908 -1.787 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.740 -3.336 1.885 1.00 0.00 H new ATOM 849 N ALA A 56 9.485 -4.427 5.151 1.00 0.00 N ATOM 850 CA ALA A 56 8.025 -4.727 5.190 1.00 0.00 C ATOM 851 C ALA A 56 7.664 -5.329 6.549 1.00 0.00 C ATOM 852 O ALA A 56 6.615 -5.059 7.098 1.00 0.00 O ATOM 853 CB ALA A 56 7.681 -5.725 4.083 1.00 0.00 C ATOM 0 H ALA A 56 10.062 -5.139 4.704 1.00 0.00 H new ATOM 0 HA ALA A 56 7.460 -3.807 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.614 -5.945 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.938 -5.297 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.245 -6.645 4.234 1.00 0.00 H new ATOM 859 N LYS A 57 8.525 -6.142 7.096 1.00 0.00 N ATOM 860 CA LYS A 57 8.226 -6.758 8.419 1.00 0.00 C ATOM 861 C LYS A 57 7.719 -5.680 9.378 1.00 0.00 C ATOM 862 O LYS A 57 6.917 -5.941 10.253 1.00 0.00 O ATOM 863 CB LYS A 57 9.496 -7.392 8.988 1.00 0.00 C ATOM 864 CG LYS A 57 9.199 -7.977 10.370 1.00 0.00 C ATOM 865 CD LYS A 57 9.642 -9.441 10.412 1.00 0.00 C ATOM 866 CE LYS A 57 8.413 -10.349 10.340 1.00 0.00 C ATOM 867 NZ LYS A 57 8.692 -11.493 9.425 1.00 0.00 N ATOM 0 H LYS A 57 9.421 -6.406 6.685 1.00 0.00 H new ATOM 0 HA LYS A 57 7.462 -7.526 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.855 -8.174 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.287 -6.646 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.721 -7.406 11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.133 -7.902 10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.313 -9.653 9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.199 -9.637 11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.162 -10.718 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.552 -9.785 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.856 -12.110 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.912 -11.132 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.503 -12.036 9.785 1.00 0.00 H new ATOM 881 N SER A 58 8.178 -4.469 9.220 1.00 0.00 N ATOM 882 CA SER A 58 7.718 -3.376 10.121 1.00 0.00 C ATOM 883 C SER A 58 6.936 -2.343 9.308 1.00 0.00 C ATOM 884 O SER A 58 6.945 -1.166 9.608 1.00 0.00 O ATOM 885 CB SER A 58 8.929 -2.703 10.768 1.00 0.00 C ATOM 886 OG SER A 58 9.877 -2.372 9.761 1.00 0.00 O ATOM 0 H SER A 58 8.851 -4.190 8.506 1.00 0.00 H new ATOM 0 HA SER A 58 7.076 -3.791 10.898 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.618 -1.804 11.301 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.380 -3.369 11.503 1.00 0.00 H new ATOM 0 HG SER A 58 10.654 -1.939 10.173 1.00 0.00 H new ATOM 892 N LEU A 59 6.258 -2.774 8.278 1.00 0.00 N ATOM 893 CA LEU A 59 5.477 -1.814 7.447 1.00 0.00 C ATOM 894 C LEU A 59 4.063 -2.353 7.233 1.00 0.00 C ATOM 895 O LEU A 59 3.085 -1.668 7.463 1.00 0.00 O ATOM 896 CB LEU A 59 6.156 -1.641 6.085 1.00 0.00 C ATOM 897 CG LEU A 59 5.815 -0.268 5.506 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.578 0.812 6.274 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.222 -0.226 4.031 1.00 0.00 C ATOM 0 H LEU A 59 6.212 -3.747 7.977 1.00 0.00 H new ATOM 0 HA LEU A 59 5.431 -0.853 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.236 -1.743 6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.828 -2.425 5.403 1.00 0.00 H new ATOM 0 HG LEU A 59 4.743 -0.090 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.336 1.792 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.293 0.780 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.650 0.635 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.980 0.752 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.294 -0.402 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.682 -0.998 3.482 1.00 0.00 H new ATOM 911 N SER A 60 3.944 -3.567 6.765 1.00 0.00 N ATOM 912 CA SER A 60 2.591 -4.135 6.506 1.00 0.00 C ATOM 913 C SER A 60 1.939 -4.569 7.817 1.00 0.00 C ATOM 914 O SER A 60 2.597 -4.772 8.819 1.00 0.00 O ATOM 915 CB SER A 60 2.722 -5.352 5.590 1.00 0.00 C ATOM 916 OG SER A 60 3.545 -5.021 4.480 1.00 0.00 O ATOM 0 H SER A 60 4.724 -4.188 6.552 1.00 0.00 H new ATOM 0 HA SER A 60 1.972 -3.372 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.153 -6.189 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.738 -5.669 5.245 1.00 0.00 H new ATOM 0 HG SER A 60 3.615 -4.046 4.404 1.00 0.00 H new ATOM 922 N HIS A 61 0.643 -4.711 7.812 1.00 0.00 N ATOM 923 CA HIS A 61 -0.074 -5.130 9.048 1.00 0.00 C ATOM 924 C HIS A 61 -0.814 -6.445 8.784 1.00 0.00 C ATOM 925 O HIS A 61 -1.272 -6.700 7.688 1.00 0.00 O ATOM 926 CB HIS A 61 -1.073 -4.037 9.449 1.00 0.00 C ATOM 927 CG HIS A 61 -2.288 -4.101 8.562 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.309 -5.019 8.775 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.658 -3.369 7.461 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.235 -4.813 7.817 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.885 -3.822 6.996 1.00 0.00 N ATOM 0 H HIS A 61 0.046 -4.554 7.000 1.00 0.00 H new ATOM 0 HA HIS A 61 0.640 -5.278 9.858 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.366 -4.165 10.491 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.604 -3.056 9.368 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.350 -5.718 9.517 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.084 -2.565 7.024 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.149 -5.381 7.726 1.00 0.00 H new ATOM 939 N LYS A 62 -0.934 -7.282 9.778 1.00 0.00 N ATOM 940 CA LYS A 62 -1.644 -8.578 9.576 1.00 0.00 C ATOM 941 C LYS A 62 -3.130 -8.402 9.894 1.00 0.00 C ATOM 942 O LYS A 62 -3.986 -8.682 9.079 1.00 0.00 O ATOM 943 CB LYS A 62 -1.049 -9.637 10.506 1.00 0.00 C ATOM 944 CG LYS A 62 0.442 -9.800 10.206 1.00 0.00 C ATOM 945 CD LYS A 62 0.768 -11.283 10.022 1.00 0.00 C ATOM 946 CE LYS A 62 1.023 -11.570 8.542 1.00 0.00 C ATOM 947 NZ LYS A 62 -0.265 -11.905 7.872 1.00 0.00 N ATOM 0 H LYS A 62 -0.572 -7.126 10.719 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.528 -8.896 8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.192 -9.344 11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.564 -10.588 10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.705 -9.245 9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.035 -9.385 11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.646 -11.549 10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.057 -11.895 10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.478 -10.702 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.726 -12.396 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.092 -12.100 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.682 -12.745 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.922 -11.103 7.961 1.00 0.00 H new ATOM 961 N GLN A 63 -3.441 -7.942 11.073 1.00 0.00 N ATOM 962 CA GLN A 63 -4.870 -7.751 11.446 1.00 0.00 C ATOM 963 C GLN A 63 -5.607 -7.034 10.312 1.00 0.00 C ATOM 964 O GLN A 63 -5.262 -5.933 9.932 1.00 0.00 O ATOM 965 CB GLN A 63 -4.951 -6.910 12.722 1.00 0.00 C ATOM 966 CG GLN A 63 -4.857 -7.827 13.943 1.00 0.00 C ATOM 967 CD GLN A 63 -6.256 -8.060 14.518 1.00 0.00 C ATOM 968 OE1 GLN A 63 -6.440 -8.056 15.719 1.00 0.00 O ATOM 969 NE2 GLN A 63 -7.257 -8.265 13.706 1.00 0.00 N ATOM 0 H GLN A 63 -2.767 -7.690 11.795 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.334 -8.722 11.618 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.143 -6.178 12.740 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.887 -6.352 12.744 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.405 -8.778 13.662 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.212 -7.378 14.699 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.103 -8.268 12.698 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.193 -8.422 14.080 1.00 0.00 H new ATOM 978 N LEU A 64 -6.624 -7.649 9.772 1.00 0.00 N ATOM 979 CA LEU A 64 -7.387 -7.003 8.667 1.00 0.00 C ATOM 980 C LEU A 64 -8.105 -5.766 9.211 1.00 0.00 C ATOM 981 O LEU A 64 -8.276 -5.615 10.403 1.00 0.00 O ATOM 982 CB LEU A 64 -8.415 -7.993 8.113 1.00 0.00 C ATOM 983 CG LEU A 64 -7.691 -9.139 7.402 1.00 0.00 C ATOM 984 CD1 LEU A 64 -7.184 -10.149 8.434 1.00 0.00 C ATOM 985 CD2 LEU A 64 -8.660 -9.838 6.446 1.00 0.00 C ATOM 0 H LEU A 64 -6.959 -8.572 10.049 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.705 -6.708 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.031 -8.385 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.086 -7.487 7.419 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.846 -8.738 6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.669 -10.963 7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.494 -9.655 9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.028 -10.549 8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.146 -10.654 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.504 -10.235 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.022 -9.123 5.707 1.00 0.00 H new ATOM 997 N LEU A 65 -8.525 -4.876 8.352 1.00 0.00 N ATOM 998 CA LEU A 65 -9.226 -3.655 8.842 1.00 0.00 C ATOM 999 C LEU A 65 -10.710 -3.732 8.479 1.00 0.00 C ATOM 1000 O LEU A 65 -11.092 -4.359 7.511 1.00 0.00 O ATOM 1001 CB LEU A 65 -8.602 -2.411 8.203 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.535 -2.589 6.686 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -9.105 -1.346 6.001 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.078 -2.780 6.260 1.00 0.00 C ATOM 0 H LEU A 65 -8.414 -4.941 7.340 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.124 -3.592 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.193 -1.529 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.602 -2.247 8.604 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.118 -3.464 6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.057 -1.473 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.143 -1.207 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.522 -0.472 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.029 -2.907 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.497 -1.905 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.669 -3.665 6.748 1.00 0.00 H new ATOM 1016 N MET A 66 -11.550 -3.101 9.253 1.00 0.00 N ATOM 1017 CA MET A 66 -13.010 -3.138 8.958 1.00 0.00 C ATOM 1018 C MET A 66 -13.603 -1.740 9.134 1.00 0.00 C ATOM 1019 O MET A 66 -14.802 -1.553 9.080 1.00 0.00 O ATOM 1020 CB MET A 66 -13.698 -4.101 9.925 1.00 0.00 C ATOM 1021 CG MET A 66 -13.289 -5.538 9.594 1.00 0.00 C ATOM 1022 SD MET A 66 -12.918 -6.427 11.126 1.00 0.00 S ATOM 1023 CE MET A 66 -14.598 -7.010 11.463 1.00 0.00 C ATOM 0 H MET A 66 -11.288 -2.561 10.078 1.00 0.00 H new ATOM 0 HA MET A 66 -13.164 -3.473 7.932 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.422 -3.861 10.952 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.780 -3.994 9.853 1.00 0.00 H new ATOM 0 HG2 MET A 66 -14.092 -6.041 9.054 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.417 -5.538 8.941 1.00 0.00 H new ATOM 0 HE1 MET A 66 -14.603 -7.594 12.383 1.00 0.00 H new ATOM 0 HE2 MET A 66 -15.265 -6.155 11.573 1.00 0.00 H new ATOM 0 HE3 MET A 66 -14.940 -7.633 10.636 1.00 0.00 H new ATOM 1033 N SER A 67 -12.774 -0.756 9.347 1.00 0.00 N ATOM 1034 CA SER A 67 -13.294 0.627 9.530 1.00 0.00 C ATOM 1035 C SER A 67 -13.627 1.231 8.158 1.00 0.00 C ATOM 1036 O SER A 67 -12.855 1.108 7.228 1.00 0.00 O ATOM 1037 CB SER A 67 -12.232 1.482 10.222 1.00 0.00 C ATOM 1038 OG SER A 67 -12.830 2.683 10.692 1.00 0.00 O ATOM 0 H SER A 67 -11.760 -0.850 9.402 1.00 0.00 H new ATOM 0 HA SER A 67 -14.194 0.601 10.144 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.791 0.932 11.053 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.424 1.712 9.527 1.00 0.00 H new ATOM 0 HG SER A 67 -12.728 2.740 11.665 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.777 1.855 8.069 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.252 2.478 6.818 1.00 0.00 C ATOM 1046 C PRO A 68 -14.573 3.830 6.567 1.00 0.00 C ATOM 1047 O PRO A 68 -15.067 4.864 6.973 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.754 2.663 7.060 1.00 0.00 C ATOM 1049 CG PRO A 68 -16.953 2.674 8.595 1.00 0.00 C ATOM 1050 CD PRO A 68 -15.713 1.996 9.205 1.00 0.00 C ATOM 0 HA PRO A 68 -15.027 1.873 5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.107 3.594 6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.324 1.855 6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.058 3.694 8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.862 2.140 8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.282 2.600 10.003 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.962 1.027 9.638 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.460 3.838 5.880 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.782 5.136 5.588 1.00 0.00 C ATOM 1060 C GLY A 69 -11.442 5.222 6.320 1.00 0.00 C ATOM 1061 O GLY A 69 -11.030 6.283 6.745 1.00 0.00 O ATOM 0 H GLY A 69 -12.994 3.009 5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.623 5.235 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.423 5.963 5.893 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.751 4.126 6.466 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.434 4.169 7.166 1.00 0.00 C ATOM 1067 C GLN A 70 -8.862 2.756 7.273 1.00 0.00 C ATOM 1068 O GLN A 70 -9.458 1.877 7.864 1.00 0.00 O ATOM 1069 CB GLN A 70 -9.615 4.755 8.568 1.00 0.00 C ATOM 1070 CG GLN A 70 -10.594 3.892 9.365 1.00 0.00 C ATOM 1071 CD GLN A 70 -11.416 4.785 10.294 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -11.394 4.614 11.498 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -12.147 5.738 9.783 1.00 0.00 N ATOM 0 H GLN A 70 -11.038 3.206 6.133 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.746 4.795 6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.654 4.800 9.081 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.988 5.777 8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.253 3.349 8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.050 3.147 9.946 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.165 5.881 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.700 6.340 10.393 1.00 0.00 H new ATOM 1082 N SER A 71 -7.708 2.530 6.707 1.00 0.00 N ATOM 1083 CA SER A 71 -7.099 1.173 6.779 1.00 0.00 C ATOM 1084 C SER A 71 -5.874 1.216 7.693 1.00 0.00 C ATOM 1085 O SER A 71 -5.909 0.755 8.817 1.00 0.00 O ATOM 1086 CB SER A 71 -6.684 0.717 5.377 1.00 0.00 C ATOM 1087 OG SER A 71 -5.545 1.454 4.954 1.00 0.00 O ATOM 0 H SER A 71 -7.162 3.226 6.199 1.00 0.00 H new ATOM 0 HA SER A 71 -7.827 0.468 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.458 -0.349 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.506 0.865 4.677 1.00 0.00 H new ATOM 0 HG SER A 71 -5.667 2.401 5.175 1.00 0.00 H new ATOM 1093 N THR A 72 -4.789 1.766 7.222 1.00 0.00 N ATOM 1094 CA THR A 72 -3.566 1.838 8.066 1.00 0.00 C ATOM 1095 C THR A 72 -2.623 2.908 7.514 1.00 0.00 C ATOM 1096 O THR A 72 -2.000 2.727 6.488 1.00 0.00 O ATOM 1097 CB THR A 72 -2.858 0.482 8.052 1.00 0.00 C ATOM 1098 OG1 THR A 72 -1.563 0.622 8.620 1.00 0.00 O ATOM 1099 CG2 THR A 72 -2.735 -0.017 6.612 1.00 0.00 C ATOM 0 H THR A 72 -4.698 2.168 6.289 1.00 0.00 H new ATOM 0 HA THR A 72 -3.846 2.094 9.088 1.00 0.00 H new ATOM 0 HB THR A 72 -3.435 -0.237 8.634 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.108 -0.246 8.614 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.230 -0.983 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.729 -0.123 6.177 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.158 0.699 6.027 1.00 0.00 H new ATOM 1107 N SER A 73 -2.500 4.017 8.188 1.00 0.00 N ATOM 1108 CA SER A 73 -1.583 5.081 7.696 1.00 0.00 C ATOM 1109 C SER A 73 -0.154 4.690 8.064 1.00 0.00 C ATOM 1110 O SER A 73 0.368 5.084 9.088 1.00 0.00 O ATOM 1111 CB SER A 73 -1.940 6.413 8.354 1.00 0.00 C ATOM 1112 OG SER A 73 -1.149 7.447 7.783 1.00 0.00 O ATOM 0 H SER A 73 -2.993 4.232 9.055 1.00 0.00 H new ATOM 0 HA SER A 73 -1.676 5.188 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.999 6.629 8.212 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.767 6.359 9.429 1.00 0.00 H new ATOM 0 HG SER A 73 -1.377 8.303 8.202 1.00 0.00 H new ATOM 1118 N THR A 74 0.472 3.896 7.242 1.00 0.00 N ATOM 1119 CA THR A 74 1.858 3.450 7.542 1.00 0.00 C ATOM 1120 C THR A 74 2.850 4.578 7.270 1.00 0.00 C ATOM 1121 O THR A 74 3.132 4.911 6.136 1.00 0.00 O ATOM 1122 CB THR A 74 2.204 2.252 6.657 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.438 1.127 7.065 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.696 1.935 6.786 1.00 0.00 C ATOM 0 H THR A 74 0.081 3.536 6.372 1.00 0.00 H new ATOM 0 HA THR A 74 1.920 3.170 8.594 1.00 0.00 H new ATOM 0 HB THR A 74 1.975 2.488 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.024 0.347 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.942 1.081 6.155 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.280 2.800 6.471 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.929 1.698 7.824 1.00 0.00 H new ATOM 1132 N THR A 75 3.401 5.151 8.302 1.00 0.00 N ATOM 1133 CA THR A 75 4.396 6.237 8.102 1.00 0.00 C ATOM 1134 C THR A 75 5.733 5.588 7.743 1.00 0.00 C ATOM 1135 O THR A 75 6.536 5.287 8.602 1.00 0.00 O ATOM 1136 CB THR A 75 4.543 7.042 9.396 1.00 0.00 C ATOM 1137 OG1 THR A 75 5.611 7.969 9.258 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.837 6.094 10.560 1.00 0.00 C ATOM 0 H THR A 75 3.205 4.914 9.274 1.00 0.00 H new ATOM 0 HA THR A 75 4.074 6.909 7.306 1.00 0.00 H new ATOM 0 HB THR A 75 3.616 7.581 9.594 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.378 8.638 8.581 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.941 6.669 11.480 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.017 5.384 10.667 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.762 5.553 10.364 1.00 0.00 H new ATOM 1146 N PHE A 76 5.956 5.347 6.476 1.00 0.00 N ATOM 1147 CA PHE A 76 7.222 4.690 6.035 1.00 0.00 C ATOM 1148 C PHE A 76 8.400 5.172 6.894 1.00 0.00 C ATOM 1149 O PHE A 76 8.386 6.275 7.403 1.00 0.00 O ATOM 1150 CB PHE A 76 7.474 5.012 4.560 1.00 0.00 C ATOM 1151 CG PHE A 76 6.649 4.076 3.702 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.271 4.287 3.555 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.262 2.994 3.059 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.511 3.416 2.765 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.501 2.123 2.270 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.126 2.334 2.123 1.00 0.00 C ATOM 0 H PHE A 76 5.309 5.580 5.722 1.00 0.00 H new ATOM 0 HA PHE A 76 7.128 3.611 6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.208 6.048 4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.533 4.902 4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.796 5.121 4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.324 2.831 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.449 3.579 2.651 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.975 1.289 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.539 1.662 1.514 1.00 0.00 H new ATOM 1166 N PRO A 77 9.377 4.310 7.041 1.00 0.00 N ATOM 1167 CA PRO A 77 10.579 4.588 7.851 1.00 0.00 C ATOM 1168 C PRO A 77 11.548 5.513 7.116 1.00 0.00 C ATOM 1169 O PRO A 77 11.503 5.651 5.911 1.00 0.00 O ATOM 1170 CB PRO A 77 11.212 3.207 8.041 1.00 0.00 C ATOM 1171 CG PRO A 77 10.680 2.322 6.891 1.00 0.00 C ATOM 1172 CD PRO A 77 9.374 2.976 6.404 1.00 0.00 C ATOM 0 HA PRO A 77 10.338 5.090 8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.300 3.271 8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.944 2.787 9.010 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.407 2.259 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.499 1.304 7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.349 3.054 5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.502 2.394 6.702 1.00 0.00 H new ATOM 1180 N ALA A 78 12.444 6.127 7.841 1.00 0.00 N ATOM 1181 CA ALA A 78 13.439 7.026 7.198 1.00 0.00 C ATOM 1182 C ALA A 78 14.554 6.177 6.581 1.00 0.00 C ATOM 1183 O ALA A 78 15.542 6.691 6.094 1.00 0.00 O ATOM 1184 CB ALA A 78 14.034 7.964 8.249 1.00 0.00 C ATOM 0 H ALA A 78 12.528 6.043 8.854 1.00 0.00 H new ATOM 0 HA ALA A 78 12.953 7.617 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.763 8.623 7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.239 8.562 8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.524 7.376 9.025 1.00 0.00 H new ATOM 1190 N ASP A 79 14.399 4.879 6.591 1.00 0.00 N ATOM 1191 CA ASP A 79 15.441 3.999 6.001 1.00 0.00 C ATOM 1192 C ASP A 79 15.012 3.592 4.589 1.00 0.00 C ATOM 1193 O ASP A 79 15.753 2.946 3.875 1.00 0.00 O ATOM 1194 CB ASP A 79 15.608 2.749 6.870 1.00 0.00 C ATOM 1195 CG ASP A 79 14.235 2.142 7.164 1.00 0.00 C ATOM 1196 OD1 ASP A 79 13.478 1.954 6.225 1.00 0.00 O ATOM 1197 OD2 ASP A 79 13.964 1.874 8.323 1.00 0.00 O ATOM 0 H ASP A 79 13.593 4.393 6.984 1.00 0.00 H new ATOM 0 HA ASP A 79 16.391 4.532 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.237 2.020 6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.110 3.006 7.802 1.00 0.00 H new ATOM 1202 N ALA A 80 13.818 3.976 4.187 1.00 0.00 N ATOM 1203 CA ALA A 80 13.322 3.635 2.815 1.00 0.00 C ATOM 1204 C ALA A 80 14.498 3.630 1.829 1.00 0.00 C ATOM 1205 O ALA A 80 14.993 4.677 1.462 1.00 0.00 O ATOM 1206 CB ALA A 80 12.308 4.693 2.375 1.00 0.00 C ATOM 0 H ALA A 80 13.165 4.514 4.756 1.00 0.00 H new ATOM 0 HA ALA A 80 12.855 2.650 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.941 4.453 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.472 4.709 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.787 5.672 2.360 1.00 0.00 H new ATOM 1212 N PRO A 81 14.921 2.453 1.438 1.00 0.00 N ATOM 1213 CA PRO A 81 16.054 2.286 0.506 1.00 0.00 C ATOM 1214 C PRO A 81 15.633 2.563 -0.942 1.00 0.00 C ATOM 1215 O PRO A 81 16.036 1.870 -1.855 1.00 0.00 O ATOM 1216 CB PRO A 81 16.449 0.818 0.685 1.00 0.00 C ATOM 1217 CG PRO A 81 15.204 0.095 1.253 1.00 0.00 C ATOM 1218 CD PRO A 81 14.316 1.182 1.887 1.00 0.00 C ATOM 0 HA PRO A 81 16.870 2.979 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.753 0.379 -0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.296 0.724 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.668 -0.432 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.493 -0.650 1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.281 1.094 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.309 1.106 2.974 1.00 0.00 H new ATOM 1226 N ALA A 82 14.840 3.578 -1.159 1.00 0.00 N ATOM 1227 CA ALA A 82 14.401 3.909 -2.545 1.00 0.00 C ATOM 1228 C ALA A 82 13.935 2.640 -3.264 1.00 0.00 C ATOM 1229 O ALA A 82 13.925 1.563 -2.703 1.00 0.00 O ATOM 1230 CB ALA A 82 15.569 4.527 -3.316 1.00 0.00 C ATOM 0 H ALA A 82 14.476 4.194 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 82 13.575 4.618 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.249 4.769 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.897 5.436 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.395 3.817 -3.357 1.00 0.00 H new ATOM 1236 N GLY A 83 13.550 2.758 -4.506 1.00 0.00 N ATOM 1237 CA GLY A 83 13.096 1.557 -5.259 1.00 0.00 C ATOM 1238 C GLY A 83 11.576 1.428 -5.170 1.00 0.00 C ATOM 1239 O GLY A 83 10.886 2.334 -4.746 1.00 0.00 O ATOM 0 H GLY A 83 13.531 3.633 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.402 1.635 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.569 0.663 -4.853 1.00 0.00 H new ATOM 1243 N GLU A 84 11.053 0.305 -5.574 1.00 0.00 N ATOM 1244 CA GLU A 84 9.579 0.104 -5.525 1.00 0.00 C ATOM 1245 C GLU A 84 9.239 -0.956 -4.474 1.00 0.00 C ATOM 1246 O GLU A 84 10.035 -1.821 -4.171 1.00 0.00 O ATOM 1247 CB GLU A 84 9.095 -0.371 -6.894 1.00 0.00 C ATOM 1248 CG GLU A 84 9.907 -1.597 -7.318 1.00 0.00 C ATOM 1249 CD GLU A 84 9.168 -2.342 -8.431 1.00 0.00 C ATOM 1250 OE1 GLU A 84 8.057 -2.783 -8.185 1.00 0.00 O ATOM 1251 OE2 GLU A 84 9.726 -2.460 -9.510 1.00 0.00 O ATOM 0 H GLU A 84 11.585 -0.485 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 84 9.091 1.043 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.034 -0.619 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.207 0.426 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.894 -1.290 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.060 -2.257 -6.464 1.00 0.00 H new ATOM 1258 N TYR A 85 8.056 -0.898 -3.925 1.00 0.00 N ATOM 1259 CA TYR A 85 7.657 -1.907 -2.903 1.00 0.00 C ATOM 1260 C TYR A 85 6.524 -2.765 -3.469 1.00 0.00 C ATOM 1261 O TYR A 85 6.482 -3.964 -3.276 1.00 0.00 O ATOM 1262 CB TYR A 85 7.185 -1.191 -1.633 1.00 0.00 C ATOM 1263 CG TYR A 85 8.302 -0.325 -1.096 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.638 -0.654 -1.364 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.001 0.808 -0.331 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.670 0.150 -0.867 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.035 1.612 0.166 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.369 1.283 -0.102 1.00 0.00 C ATOM 1269 OH TYR A 85 11.387 2.075 0.386 1.00 0.00 O ATOM 0 H TYR A 85 7.349 -0.195 -4.140 1.00 0.00 H new ATOM 0 HA TYR A 85 8.508 -2.542 -2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.310 -0.579 -1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.884 -1.921 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.871 -1.528 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.972 1.062 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.699 -0.104 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.803 2.486 0.756 1.00 0.00 H new ATOM 0 HH TYR A 85 12.153 2.035 -0.224 1.00 0.00 H new ATOM 1279 N THR A 86 5.614 -2.161 -4.181 1.00 0.00 N ATOM 1280 CA THR A 86 4.491 -2.938 -4.779 1.00 0.00 C ATOM 1281 C THR A 86 3.653 -3.592 -3.680 1.00 0.00 C ATOM 1282 O THR A 86 4.005 -4.626 -3.149 1.00 0.00 O ATOM 1283 CB THR A 86 5.058 -4.026 -5.694 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.783 -3.420 -6.754 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.913 -4.864 -6.267 1.00 0.00 C ATOM 0 H THR A 86 5.599 -1.160 -4.375 1.00 0.00 H new ATOM 0 HA THR A 86 3.859 -2.260 -5.352 1.00 0.00 H new ATOM 0 HB THR A 86 5.724 -4.672 -5.121 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.737 -3.619 -6.653 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.319 -5.638 -6.918 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.359 -5.329 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.244 -4.222 -6.840 1.00 0.00 H new ATOM 1293 N PHE A 87 2.533 -3.009 -3.349 1.00 0.00 N ATOM 1294 CA PHE A 87 1.662 -3.608 -2.303 1.00 0.00 C ATOM 1295 C PHE A 87 0.454 -4.261 -2.978 1.00 0.00 C ATOM 1296 O PHE A 87 0.262 -4.139 -4.172 1.00 0.00 O ATOM 1297 CB PHE A 87 1.199 -2.536 -1.314 1.00 0.00 C ATOM 1298 CG PHE A 87 1.138 -1.206 -2.010 1.00 0.00 C ATOM 1299 CD1 PHE A 87 0.046 -0.891 -2.820 1.00 0.00 C ATOM 1300 CD2 PHE A 87 2.185 -0.294 -1.852 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -0.002 0.341 -3.475 1.00 0.00 C ATOM 1302 CE2 PHE A 87 2.139 0.938 -2.505 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.045 1.259 -3.319 1.00 0.00 C ATOM 0 H PHE A 87 2.185 -2.143 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 87 2.225 -4.360 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.219 -2.794 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.885 -2.485 -0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.761 -1.599 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.029 -0.543 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.846 0.587 -4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.947 1.644 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.009 2.212 -3.825 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.360 -4.960 -2.237 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.536 -5.616 -2.864 1.00 0.00 C ATOM 1315 C TYR A 88 -2.631 -5.836 -1.821 1.00 0.00 C ATOM 1316 O TYR A 88 -2.617 -5.250 -0.756 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.108 -6.962 -3.451 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.514 -7.820 -2.359 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.766 -7.539 -1.866 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.244 -8.895 -1.838 1.00 0.00 C ATOM 1321 CE1 TYR A 88 1.316 -8.332 -0.853 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -0.694 -9.688 -0.824 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.586 -9.407 -0.331 1.00 0.00 C ATOM 1324 OH TYR A 88 1.128 -10.189 0.669 1.00 0.00 O ATOM 0 H TYR A 88 -0.261 -5.104 -1.232 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.926 -4.976 -3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.965 -7.465 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.378 -6.809 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.329 -6.710 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.231 -9.112 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.304 -8.115 -0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.257 -10.517 -0.422 1.00 0.00 H new ATOM 0 HH TYR A 88 0.490 -10.890 0.918 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.584 -6.673 -2.124 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.687 -6.931 -1.159 1.00 0.00 C ATOM 1336 C CYS A 89 -4.978 -8.430 -1.108 1.00 0.00 C ATOM 1337 O CYS A 89 -4.889 -9.125 -2.101 1.00 0.00 O ATOM 1338 CB CYS A 89 -5.941 -6.188 -1.619 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.848 -5.581 -0.177 1.00 0.00 S ATOM 0 H CYS A 89 -3.646 -7.190 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.395 -6.583 -0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.666 -5.355 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.575 -6.852 -2.207 1.00 0.00 H new ATOM 0 HG CYS A 89 -8.120 -5.556 -0.444 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.325 -8.935 0.042 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.622 -10.389 0.156 1.00 0.00 C ATOM 1346 C GLU A 90 -7.074 -10.677 -0.274 1.00 0.00 C ATOM 1347 O GLU A 90 -7.313 -11.620 -1.002 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.394 -10.846 1.603 1.00 0.00 C ATOM 1349 CG GLU A 90 -6.082 -12.194 1.837 1.00 0.00 C ATOM 1350 CD GLU A 90 -5.942 -12.592 3.308 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -5.580 -11.738 4.100 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -6.198 -13.744 3.615 1.00 0.00 O ATOM 0 H GLU A 90 -5.416 -8.404 0.908 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.954 -10.942 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.326 -10.933 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.788 -10.102 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.136 -12.128 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.636 -12.957 1.199 1.00 0.00 H new ATOM 1359 N PRO A 91 -8.006 -9.872 0.186 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.430 -10.052 -0.149 1.00 0.00 C ATOM 1361 C PRO A 91 -9.732 -9.524 -1.558 1.00 0.00 C ATOM 1362 O PRO A 91 -10.382 -10.181 -2.346 1.00 0.00 O ATOM 1363 CB PRO A 91 -10.159 -9.229 0.916 1.00 0.00 C ATOM 1364 CG PRO A 91 -9.141 -8.190 1.440 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.741 -8.718 1.073 1.00 0.00 C ATOM 0 HA PRO A 91 -9.735 -11.098 -0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -11.034 -8.736 0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.513 -9.868 1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.317 -7.214 0.988 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.237 -8.064 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.148 -7.956 0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.184 -9.018 1.960 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.269 -8.347 -1.884 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.540 -7.797 -3.245 1.00 0.00 C ATOM 1375 C HIS A 92 -8.453 -8.264 -4.214 1.00 0.00 C ATOM 1376 O HIS A 92 -8.272 -7.702 -5.276 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.555 -6.267 -3.193 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.603 -5.811 -2.216 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.296 -5.515 -0.892 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.956 -5.613 -2.348 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.456 -5.169 -0.292 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.481 -5.215 -1.135 1.00 0.00 N ATOM 0 H HIS A 92 -8.718 -7.745 -1.272 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.511 -8.155 -3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.576 -5.893 -2.894 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.763 -5.860 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.521 -5.748 -3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.540 -4.889 0.748 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.457 -5.000 -0.928 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.727 -9.289 -3.861 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.656 -9.788 -4.768 1.00 0.00 C ATOM 1392 C ARG A 93 -7.247 -10.054 -6.156 1.00 0.00 C ATOM 1393 O ARG A 93 -8.312 -10.625 -6.288 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.073 -11.086 -4.204 1.00 0.00 C ATOM 1395 CG ARG A 93 -5.207 -11.763 -5.269 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.988 -12.404 -4.605 1.00 0.00 C ATOM 1397 NE ARG A 93 -4.267 -13.843 -4.338 1.00 0.00 N ATOM 1398 CZ ARG A 93 -3.288 -14.706 -4.311 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -2.651 -15.007 -5.410 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -2.946 -15.268 -3.184 1.00 0.00 N ATOM 0 H ARG A 93 -7.829 -9.802 -2.985 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.867 -9.040 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.477 -10.874 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.877 -11.754 -3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.787 -12.520 -5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.887 -11.032 -6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.115 -12.305 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.755 -11.889 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.225 -14.154 -4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.918 -14.568 -6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.886 -15.681 -5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.444 -15.033 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.181 -15.942 -3.162 1.00 0.00 H new ATOM 1414 N GLY A 94 -6.564 -9.647 -7.191 1.00 0.00 N ATOM 1415 CA GLY A 94 -7.086 -9.880 -8.568 1.00 0.00 C ATOM 1416 C GLY A 94 -7.971 -8.707 -8.991 1.00 0.00 C ATOM 1417 O GLY A 94 -8.386 -8.610 -10.129 1.00 0.00 O ATOM 0 H GLY A 94 -5.667 -9.163 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.257 -9.993 -9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.657 -10.808 -8.598 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.266 -7.815 -8.087 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.125 -6.652 -8.445 1.00 0.00 C ATOM 1423 C ALA A 95 -8.246 -5.427 -8.712 1.00 0.00 C ATOM 1424 O ALA A 95 -8.587 -4.318 -8.353 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.088 -6.352 -7.294 1.00 0.00 C ATOM 0 H ALA A 95 -7.950 -7.841 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.697 -6.888 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.716 -5.501 -7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.717 -7.223 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.518 -6.118 -6.395 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.118 -5.618 -9.341 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.218 -4.465 -9.636 1.00 0.00 C ATOM 1433 C GLY A 96 -5.771 -3.803 -8.329 1.00 0.00 C ATOM 1434 O GLY A 96 -5.220 -2.720 -8.330 1.00 0.00 O ATOM 0 H GLY A 96 -6.780 -6.524 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.348 -4.806 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.736 -3.739 -10.262 1.00 0.00 H new ATOM 1438 N MET A 97 -6.000 -4.443 -7.216 1.00 0.00 N ATOM 1439 CA MET A 97 -5.584 -3.847 -5.914 1.00 0.00 C ATOM 1440 C MET A 97 -4.099 -4.124 -5.671 1.00 0.00 C ATOM 1441 O MET A 97 -3.726 -4.705 -4.672 1.00 0.00 O ATOM 1442 CB MET A 97 -6.403 -4.471 -4.783 1.00 0.00 C ATOM 1443 CG MET A 97 -7.663 -3.640 -4.538 1.00 0.00 C ATOM 1444 SD MET A 97 -7.608 -2.956 -2.863 1.00 0.00 S ATOM 1445 CE MET A 97 -8.162 -1.283 -3.275 1.00 0.00 C ATOM 0 H MET A 97 -6.457 -5.353 -7.151 1.00 0.00 H new ATOM 0 HA MET A 97 -5.754 -2.771 -5.941 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.675 -5.494 -5.041 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.805 -4.520 -3.873 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.731 -2.835 -5.270 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.551 -4.259 -4.662 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.460 -0.556 -2.866 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.210 -1.172 -4.358 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.151 -1.112 -2.849 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.247 -3.720 -6.574 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.790 -3.971 -6.381 1.00 0.00 C ATOM 1457 C VAL A 98 -0.985 -2.745 -6.825 1.00 0.00 C ATOM 1458 O VAL A 98 -0.319 -2.764 -7.841 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.363 -5.187 -7.208 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.077 -5.560 -6.854 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.280 -6.373 -6.898 1.00 0.00 C ATOM 0 H VAL A 98 -3.495 -3.229 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.600 -4.163 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.433 -4.943 -8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.384 -6.426 -7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.735 -4.720 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.140 -5.801 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.972 -7.235 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.213 -6.617 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.309 -6.112 -7.146 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.032 -1.682 -6.067 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.262 -0.463 -6.443 1.00 0.00 C ATOM 1473 C GLY A 99 1.196 -0.639 -6.013 1.00 0.00 C ATOM 1474 O GLY A 99 1.595 -1.698 -5.573 1.00 0.00 O ATOM 0 H GLY A 99 -1.570 -1.606 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.319 -0.299 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.692 0.416 -5.963 1.00 0.00 H new ATOM 1478 N LYS A 100 2.001 0.383 -6.137 1.00 0.00 N ATOM 1479 CA LYS A 100 3.430 0.247 -5.734 1.00 0.00 C ATOM 1480 C LYS A 100 3.988 1.606 -5.303 1.00 0.00 C ATOM 1481 O LYS A 100 3.768 2.611 -5.949 1.00 0.00 O ATOM 1482 CB LYS A 100 4.240 -0.271 -6.922 1.00 0.00 C ATOM 1483 CG LYS A 100 3.379 -1.219 -7.757 1.00 0.00 C ATOM 1484 CD LYS A 100 4.180 -1.703 -8.967 1.00 0.00 C ATOM 1485 CE LYS A 100 3.627 -1.056 -10.237 1.00 0.00 C ATOM 1486 NZ LYS A 100 4.714 -0.305 -10.927 1.00 0.00 N ATOM 0 H LYS A 100 1.733 1.299 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 100 3.500 -0.450 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.579 0.564 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.131 -0.789 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.064 -2.069 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.474 -0.710 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.233 -1.448 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.122 -2.789 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.221 -1.820 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.807 -0.382 -9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.338 0.135 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.081 0.434 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.482 -0.959 -11.178 1.00 0.00 H new ATOM 1500 N ILE A 101 4.723 1.639 -4.224 1.00 0.00 N ATOM 1501 CA ILE A 101 5.311 2.925 -3.761 1.00 0.00 C ATOM 1502 C ILE A 101 6.654 3.135 -4.476 1.00 0.00 C ATOM 1503 O ILE A 101 7.567 2.344 -4.345 1.00 0.00 O ATOM 1504 CB ILE A 101 5.496 2.878 -2.224 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.533 3.882 -1.575 1.00 0.00 C ATOM 1506 CG2 ILE A 101 6.939 3.227 -1.826 1.00 0.00 C ATOM 1507 CD1 ILE A 101 4.954 4.155 -0.124 1.00 0.00 C ATOM 0 H ILE A 101 4.941 0.829 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 101 4.652 3.760 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 101 5.283 1.866 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.529 4.813 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.516 3.490 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.037 3.186 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.625 2.512 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.180 4.232 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.264 4.868 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.934 3.224 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.963 4.567 -0.109 1.00 0.00 H new ATOM 1519 N THR A 102 6.780 4.193 -5.224 1.00 0.00 N ATOM 1520 CA THR A 102 8.061 4.451 -5.938 1.00 0.00 C ATOM 1521 C THR A 102 8.873 5.477 -5.152 1.00 0.00 C ATOM 1522 O THR A 102 8.590 6.659 -5.173 1.00 0.00 O ATOM 1523 CB THR A 102 7.762 4.991 -7.336 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.524 4.459 -7.789 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.878 4.579 -8.296 1.00 0.00 C ATOM 0 H THR A 102 6.051 4.891 -5.373 1.00 0.00 H new ATOM 0 HA THR A 102 8.630 3.525 -6.024 1.00 0.00 H new ATOM 0 HB THR A 102 7.702 6.079 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.328 4.804 -8.685 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.662 4.965 -9.292 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.827 4.986 -7.947 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.942 3.492 -8.335 1.00 0.00 H new ATOM 1533 N VAL A 103 9.875 5.030 -4.451 1.00 0.00 N ATOM 1534 CA VAL A 103 10.704 5.969 -3.650 1.00 0.00 C ATOM 1535 C VAL A 103 11.983 6.303 -4.420 1.00 0.00 C ATOM 1536 O VAL A 103 13.070 5.921 -4.038 1.00 0.00 O ATOM 1537 CB VAL A 103 11.059 5.310 -2.316 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.702 6.341 -1.388 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.786 4.763 -1.666 1.00 0.00 C ATOM 0 H VAL A 103 10.156 4.051 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 103 10.148 6.888 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 103 11.761 4.494 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.954 5.869 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.608 6.732 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.003 7.159 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.036 4.293 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.086 5.580 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.328 4.026 -2.326 1.00 0.00 H new ATOM 1549 N ALA A 104 11.858 7.017 -5.504 1.00 0.00 N ATOM 1550 CA ALA A 104 13.063 7.377 -6.300 1.00 0.00 C ATOM 1551 C ALA A 104 13.850 6.107 -6.627 1.00 0.00 C ATOM 1552 O ALA A 104 13.395 5.007 -6.388 1.00 0.00 O ATOM 1553 CB ALA A 104 13.942 8.332 -5.489 1.00 0.00 C ATOM 0 H ALA A 104 10.973 7.366 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 104 12.759 7.865 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.825 8.596 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.378 9.235 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.250 7.846 -4.563 1.00 0.00 H new