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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -13.3! C(o=-24!,f=-26!) USER MOD Set 2.2: A 89 CYS SG : rot -143:sc= -1.42! USER MOD Set 2.3: A 92 HIS : no HD1:sc= -9.6! C(o=-24!,f=-26!) USER MOD Set 3.1: A 61 HIS : no HE2:sc= -4.82! C(o=-4.5!,f=-13!) USER MOD Set 3.2: A 72 THR OG1 : rot -4:sc= 0.284 USER MOD Set 4.1: A 67 SER OG : rot -163:sc= -0.737 USER MOD Set 4.2: A 70 GLN :FLIP amide:sc= 0.0151 F(o=-1.6,f=-0.72) USER MOD Set 5.1: A 28 THR OG1 : rot -92:sc= 0.0205 USER MOD Set 5.2: A 75 THR OG1 : rot -65:sc= 0.477 USER MOD Single : A 2 THR OG1 : rot 35:sc= 0.176 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -54:sc= 1.11 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.247! 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -8.46! C(o=-8.5!,f=-20!) USER MOD Single : A 34 ASN : amide:sc= -3.39! C(o=-3.4!,f=-4.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 48 ASN : amide:sc= -3.5! C(o=-3.5!,f=-8.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-4.25e-05 USER MOD Single : A 60 SER OG : rot -70:sc= -0.676! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0555 K(o=-0.055,f=-1.7!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -52:sc= -2.84! USER MOD Single : A 73 SER OG : rot -66:sc= 1.13 USER MOD Single : A 74 THR OG1 : rot -92:sc= -0.547 USER MOD Single : A 85 TYR OH : rot 15:sc= 0.32 USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.96 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -150:sc= -0.75 (180deg=-2.07!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 2.000 13.488 2.626 1.00 0.00 N ATOM 19 CA THR A 2 1.010 12.436 2.986 1.00 0.00 C ATOM 20 C THR A 2 0.215 12.038 1.741 1.00 0.00 C ATOM 21 O THR A 2 -0.240 12.877 0.989 1.00 0.00 O ATOM 22 CB THR A 2 0.053 12.979 4.050 1.00 0.00 C ATOM 23 OG1 THR A 2 0.803 13.476 5.151 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.873 11.858 4.525 1.00 0.00 C ATOM 0 HA THR A 2 1.533 11.564 3.378 1.00 0.00 H new ATOM 0 HB THR A 2 -0.545 13.785 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.633 13.882 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.554 12.245 5.283 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.448 11.478 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.278 11.050 4.951 1.00 0.00 H new ATOM 32 N TYR A 3 0.042 10.764 1.516 1.00 0.00 N ATOM 33 CA TYR A 3 -0.724 10.316 0.319 1.00 0.00 C ATOM 34 C TYR A 3 -1.888 9.428 0.765 1.00 0.00 C ATOM 35 O TYR A 3 -1.721 8.253 1.024 1.00 0.00 O ATOM 36 CB TYR A 3 0.198 9.524 -0.612 1.00 0.00 C ATOM 37 CG TYR A 3 1.046 10.482 -1.417 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.176 11.074 -0.838 1.00 0.00 C ATOM 39 CD2 TYR A 3 0.702 10.777 -2.741 1.00 0.00 C ATOM 40 CE1 TYR A 3 2.962 11.961 -1.585 1.00 0.00 C ATOM 41 CE2 TYR A 3 1.488 11.665 -3.487 1.00 0.00 C ATOM 42 CZ TYR A 3 2.618 12.256 -2.909 1.00 0.00 C ATOM 43 OH TYR A 3 3.392 13.129 -3.645 1.00 0.00 O ATOM 0 H TYR A 3 0.398 10.015 2.109 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.112 11.185 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 3 0.835 8.859 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -0.393 8.896 -1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.441 10.847 0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.169 10.320 -3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.833 12.417 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.222 11.894 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 3 3.014 13.222 -4.545 1.00 0.00 H new ATOM 53 N THR A 4 -3.067 9.982 0.863 1.00 0.00 N ATOM 54 CA THR A 4 -4.239 9.171 1.298 1.00 0.00 C ATOM 55 C THR A 4 -4.883 8.500 0.083 1.00 0.00 C ATOM 56 O THR A 4 -5.839 8.997 -0.477 1.00 0.00 O ATOM 57 CB THR A 4 -5.264 10.083 1.975 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.758 10.510 3.232 1.00 0.00 O ATOM 59 CG2 THR A 4 -6.573 9.319 2.180 1.00 0.00 C ATOM 0 H THR A 4 -3.268 10.961 0.660 1.00 0.00 H new ATOM 0 HA THR A 4 -3.907 8.406 2.000 1.00 0.00 H new ATOM 0 HB THR A 4 -5.450 10.953 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.501 9.728 3.764 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.302 9.970 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.960 8.994 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.391 8.448 2.810 1.00 0.00 H new ATOM 67 N VAL A 5 -4.369 7.373 -0.330 1.00 0.00 N ATOM 68 CA VAL A 5 -4.955 6.675 -1.503 1.00 0.00 C ATOM 69 C VAL A 5 -6.165 5.851 -1.054 1.00 0.00 C ATOM 70 O VAL A 5 -6.027 4.828 -0.413 1.00 0.00 O ATOM 71 CB VAL A 5 -3.905 5.750 -2.116 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.674 6.567 -2.512 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.503 4.685 -1.094 1.00 0.00 C ATOM 0 H VAL A 5 -3.568 6.908 0.097 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.272 7.408 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.320 5.266 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.925 5.907 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.960 7.325 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.259 7.052 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.754 4.025 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.089 5.168 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.380 4.102 -0.812 1.00 0.00 H new ATOM 83 N LYS A 6 -7.349 6.289 -1.385 1.00 0.00 N ATOM 84 CA LYS A 6 -8.566 5.531 -0.978 1.00 0.00 C ATOM 85 C LYS A 6 -8.950 4.554 -2.091 1.00 0.00 C ATOM 86 O LYS A 6 -9.547 4.932 -3.080 1.00 0.00 O ATOM 87 CB LYS A 6 -9.720 6.508 -0.741 1.00 0.00 C ATOM 88 CG LYS A 6 -10.296 6.295 0.661 1.00 0.00 C ATOM 89 CD LYS A 6 -11.808 6.525 0.632 1.00 0.00 C ATOM 90 CE LYS A 6 -12.384 6.328 2.036 1.00 0.00 C ATOM 91 NZ LYS A 6 -12.617 7.657 2.669 1.00 0.00 N ATOM 0 H LYS A 6 -7.526 7.139 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.362 4.979 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.368 7.534 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.497 6.357 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.078 5.284 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.827 6.981 1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.026 7.532 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.278 5.832 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.319 5.770 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.696 5.740 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.008 7.523 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.717 8.173 2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.289 8.203 2.093 1.00 0.00 H new ATOM 105 N LEU A 7 -8.617 3.300 -1.941 1.00 0.00 N ATOM 106 CA LEU A 7 -8.967 2.310 -2.985 1.00 0.00 C ATOM 107 C LEU A 7 -10.484 2.279 -3.163 1.00 0.00 C ATOM 108 O LEU A 7 -11.216 2.895 -2.415 1.00 0.00 O ATOM 109 CB LEU A 7 -8.468 0.935 -2.548 1.00 0.00 C ATOM 110 CG LEU A 7 -8.938 0.642 -1.122 1.00 0.00 C ATOM 111 CD1 LEU A 7 -10.031 -0.429 -1.155 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.756 0.132 -0.293 1.00 0.00 C ATOM 0 H LEU A 7 -8.116 2.923 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.502 2.583 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.841 0.169 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.380 0.901 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.334 1.554 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.366 -0.638 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.873 -0.072 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.634 -1.341 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.088 -0.078 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.364 -0.780 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.974 0.891 -0.270 1.00 0.00 H new ATOM 124 N GLY A 8 -10.965 1.572 -4.147 1.00 0.00 N ATOM 125 CA GLY A 8 -12.438 1.511 -4.367 1.00 0.00 C ATOM 126 C GLY A 8 -12.934 2.874 -4.853 1.00 0.00 C ATOM 127 O GLY A 8 -13.611 3.589 -4.142 1.00 0.00 O ATOM 0 H GLY A 8 -10.404 1.034 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.676 0.742 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.944 1.236 -3.442 1.00 0.00 H new ATOM 131 N SER A 9 -12.598 3.240 -6.060 1.00 0.00 N ATOM 132 CA SER A 9 -13.047 4.558 -6.592 1.00 0.00 C ATOM 133 C SER A 9 -14.542 4.736 -6.322 1.00 0.00 C ATOM 134 O SER A 9 -14.941 5.233 -5.288 1.00 0.00 O ATOM 135 CB SER A 9 -12.792 4.612 -8.099 1.00 0.00 C ATOM 136 OG SER A 9 -13.542 3.588 -8.738 1.00 0.00 O ATOM 0 H SER A 9 -12.032 2.683 -6.701 1.00 0.00 H new ATOM 0 HA SER A 9 -12.492 5.356 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.077 5.587 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.729 4.483 -8.305 1.00 0.00 H new ATOM 0 HG SER A 9 -13.383 3.620 -9.704 1.00 0.00 H new ATOM 142 N ASP A 10 -15.373 4.336 -7.246 1.00 0.00 N ATOM 143 CA ASP A 10 -16.841 4.485 -7.042 1.00 0.00 C ATOM 144 C ASP A 10 -17.580 4.003 -8.292 1.00 0.00 C ATOM 145 O ASP A 10 -18.657 3.446 -8.211 1.00 0.00 O ATOM 146 CB ASP A 10 -17.174 5.957 -6.791 1.00 0.00 C ATOM 147 CG ASP A 10 -18.298 6.057 -5.759 1.00 0.00 C ATOM 148 OD1 ASP A 10 -18.260 5.309 -4.796 1.00 0.00 O ATOM 149 OD2 ASP A 10 -19.179 6.879 -5.949 1.00 0.00 O ATOM 0 H ASP A 10 -15.098 3.913 -8.133 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.151 3.890 -6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.290 6.485 -6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.477 6.436 -7.722 1.00 0.00 H new ATOM 154 N LYS A 11 -17.011 4.214 -9.448 1.00 0.00 N ATOM 155 CA LYS A 11 -17.685 3.768 -10.701 1.00 0.00 C ATOM 156 C LYS A 11 -16.825 2.707 -11.390 1.00 0.00 C ATOM 157 O LYS A 11 -16.712 2.676 -12.600 1.00 0.00 O ATOM 158 CB LYS A 11 -17.866 4.964 -11.642 1.00 0.00 C ATOM 159 CG LYS A 11 -18.275 6.200 -10.836 1.00 0.00 C ATOM 160 CD LYS A 11 -17.934 7.462 -11.631 1.00 0.00 C ATOM 161 CE LYS A 11 -16.801 8.216 -10.932 1.00 0.00 C ATOM 162 NZ LYS A 11 -15.502 7.861 -11.570 1.00 0.00 N ATOM 0 H LYS A 11 -16.111 4.675 -9.579 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.661 3.348 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.938 5.160 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.626 4.738 -12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.343 6.170 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.757 6.210 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.636 7.196 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.813 8.101 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.970 9.291 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.780 7.962 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.731 8.373 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.342 6.837 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.526 8.125 -12.576 1.00 0.00 H new ATOM 176 N GLY A 12 -16.218 1.835 -10.632 1.00 0.00 N ATOM 177 CA GLY A 12 -15.366 0.780 -11.249 1.00 0.00 C ATOM 178 C GLY A 12 -15.302 -0.438 -10.324 1.00 0.00 C ATOM 179 O GLY A 12 -16.250 -1.189 -10.206 1.00 0.00 O ATOM 0 H GLY A 12 -16.275 1.808 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.773 0.492 -12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.363 1.167 -11.427 1.00 0.00 H new ATOM 183 N LEU A 13 -14.189 -0.642 -9.671 1.00 0.00 N ATOM 184 CA LEU A 13 -14.062 -1.815 -8.760 1.00 0.00 C ATOM 185 C LEU A 13 -13.103 -1.467 -7.613 1.00 0.00 C ATOM 186 O LEU A 13 -13.021 -0.332 -7.189 1.00 0.00 O ATOM 187 CB LEU A 13 -13.523 -3.008 -9.555 1.00 0.00 C ATOM 188 CG LEU A 13 -14.405 -4.233 -9.303 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.404 -4.570 -7.811 1.00 0.00 C ATOM 190 CD2 LEU A 13 -15.836 -3.930 -9.754 1.00 0.00 C ATOM 0 H LEU A 13 -13.363 -0.047 -9.730 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.035 -2.071 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.507 -2.772 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.495 -3.220 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 13 -14.015 -5.081 -9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.033 -5.443 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.386 -4.785 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.793 -3.723 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -16.466 -4.801 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -16.223 -3.081 -9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -15.840 -3.692 -10.818 1.00 0.00 H new ATOM 202 N LEU A 14 -12.378 -2.430 -7.103 1.00 0.00 N ATOM 203 CA LEU A 14 -11.435 -2.140 -5.985 1.00 0.00 C ATOM 204 C LEU A 14 -10.019 -1.974 -6.545 1.00 0.00 C ATOM 205 O LEU A 14 -9.396 -2.925 -6.971 1.00 0.00 O ATOM 206 CB LEU A 14 -11.450 -3.302 -4.990 1.00 0.00 C ATOM 207 CG LEU A 14 -12.820 -3.387 -4.316 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.040 -4.806 -3.788 1.00 0.00 C ATOM 209 CD2 LEU A 14 -12.878 -2.398 -3.149 1.00 0.00 C ATOM 0 H LEU A 14 -12.399 -3.402 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.741 -1.223 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.229 -4.237 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.673 -3.160 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.596 -3.142 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.016 -4.868 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.998 -5.513 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.263 -5.049 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.855 -2.459 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.102 -2.644 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.719 -1.386 -3.521 1.00 0.00 H new ATOM 221 N VAL A 15 -9.507 -0.773 -6.547 1.00 0.00 N ATOM 222 CA VAL A 15 -8.132 -0.547 -7.077 1.00 0.00 C ATOM 223 C VAL A 15 -7.477 0.610 -6.320 1.00 0.00 C ATOM 224 O VAL A 15 -8.134 1.360 -5.625 1.00 0.00 O ATOM 225 CB VAL A 15 -8.206 -0.202 -8.566 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.693 -1.421 -9.351 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.184 0.958 -8.771 1.00 0.00 C ATOM 0 H VAL A 15 -9.982 0.062 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.540 -1.452 -6.943 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.217 0.086 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.745 -1.174 -10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.999 -2.249 -9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.682 -1.710 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.238 1.205 -9.831 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.173 0.668 -8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.839 1.828 -8.213 1.00 0.00 H new ATOM 237 N PHE A 16 -6.186 0.763 -6.449 1.00 0.00 N ATOM 238 CA PHE A 16 -5.492 1.873 -5.736 1.00 0.00 C ATOM 239 C PHE A 16 -5.563 3.145 -6.584 1.00 0.00 C ATOM 240 O PHE A 16 -5.343 3.120 -7.779 1.00 0.00 O ATOM 241 CB PHE A 16 -4.027 1.496 -5.505 1.00 0.00 C ATOM 242 CG PHE A 16 -3.912 0.642 -4.264 1.00 0.00 C ATOM 243 CD1 PHE A 16 -3.905 1.242 -2.999 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.811 -0.750 -4.379 1.00 0.00 C ATOM 245 CE1 PHE A 16 -3.795 0.451 -1.850 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.701 -1.541 -3.229 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.694 -0.941 -1.964 1.00 0.00 C ATOM 0 H PHE A 16 -5.583 0.168 -7.017 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.977 2.047 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.640 0.954 -6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.422 2.396 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.985 2.315 -2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.818 -1.213 -5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.788 0.914 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.622 -2.614 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.611 -1.551 -1.077 1.00 0.00 H new ATOM 257 N GLU A 17 -5.873 4.258 -5.977 1.00 0.00 N ATOM 258 CA GLU A 17 -5.962 5.530 -6.750 1.00 0.00 C ATOM 259 C GLU A 17 -5.056 6.587 -6.105 1.00 0.00 C ATOM 260 O GLU A 17 -5.361 7.085 -5.040 1.00 0.00 O ATOM 261 CB GLU A 17 -7.409 6.029 -6.733 1.00 0.00 C ATOM 262 CG GLU A 17 -8.306 5.019 -7.451 1.00 0.00 C ATOM 263 CD GLU A 17 -9.622 5.692 -7.844 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.255 6.263 -6.972 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.974 5.626 -9.010 1.00 0.00 O ATOM 0 H GLU A 17 -6.069 4.342 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.643 5.355 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.746 6.164 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.475 7.001 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.802 4.636 -8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.502 4.165 -6.802 1.00 0.00 H new ATOM 272 N PRO A 18 -3.965 6.901 -6.763 1.00 0.00 N ATOM 273 CA PRO A 18 -3.586 6.302 -8.055 1.00 0.00 C ATOM 274 C PRO A 18 -2.987 4.909 -7.844 1.00 0.00 C ATOM 275 O PRO A 18 -2.804 4.463 -6.729 1.00 0.00 O ATOM 276 CB PRO A 18 -2.533 7.269 -8.601 1.00 0.00 C ATOM 277 CG PRO A 18 -1.964 8.034 -7.387 1.00 0.00 C ATOM 278 CD PRO A 18 -2.999 7.898 -6.259 1.00 0.00 C ATOM 0 HA PRO A 18 -4.431 6.170 -8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.744 6.728 -9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.976 7.958 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.003 7.619 -7.083 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.795 9.082 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.534 7.566 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.485 8.851 -6.049 1.00 0.00 H new ATOM 286 N ALA A 19 -2.680 4.218 -8.908 1.00 0.00 N ATOM 287 CA ALA A 19 -2.092 2.859 -8.773 1.00 0.00 C ATOM 288 C ALA A 19 -0.599 2.978 -8.459 1.00 0.00 C ATOM 289 O ALA A 19 -0.060 2.236 -7.662 1.00 0.00 O ATOM 290 CB ALA A 19 -2.277 2.091 -10.083 1.00 0.00 C ATOM 0 H ALA A 19 -2.812 4.539 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.592 2.326 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.846 1.095 -9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.340 2.006 -10.308 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.777 2.624 -10.891 1.00 0.00 H new ATOM 296 N LYS A 20 0.072 3.910 -9.079 1.00 0.00 N ATOM 297 CA LYS A 20 1.531 4.080 -8.817 1.00 0.00 C ATOM 298 C LYS A 20 1.755 5.367 -8.020 1.00 0.00 C ATOM 299 O LYS A 20 1.148 6.386 -8.285 1.00 0.00 O ATOM 300 CB LYS A 20 2.293 4.163 -10.145 1.00 0.00 C ATOM 301 CG LYS A 20 1.375 4.714 -11.239 1.00 0.00 C ATOM 302 CD LYS A 20 2.147 4.811 -12.557 1.00 0.00 C ATOM 303 CE LYS A 20 1.184 4.596 -13.726 1.00 0.00 C ATOM 304 NZ LYS A 20 1.441 3.265 -14.345 1.00 0.00 N ATOM 0 H LYS A 20 -0.326 4.561 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 20 1.897 3.226 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.166 4.805 -10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.658 3.175 -10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.508 4.065 -11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.000 5.697 -10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.625 5.787 -12.640 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.940 4.064 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.153 4.653 -13.377 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.314 5.385 -14.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.786 3.119 -15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.421 3.227 -14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.296 2.518 -13.636 1.00 0.00 H new ATOM 318 N LEU A 21 2.620 5.328 -7.044 1.00 0.00 N ATOM 319 CA LEU A 21 2.879 6.549 -6.230 1.00 0.00 C ATOM 320 C LEU A 21 4.387 6.719 -6.025 1.00 0.00 C ATOM 321 O LEU A 21 5.015 5.957 -5.316 1.00 0.00 O ATOM 322 CB LEU A 21 2.195 6.405 -4.868 1.00 0.00 C ATOM 323 CG LEU A 21 0.748 6.888 -4.968 1.00 0.00 C ATOM 324 CD1 LEU A 21 -0.198 5.744 -4.599 1.00 0.00 C ATOM 325 CD2 LEU A 21 0.534 8.055 -4.002 1.00 0.00 C ATOM 0 H LEU A 21 3.158 4.504 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 21 2.483 7.422 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.220 5.364 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.732 6.985 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 21 0.543 7.215 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.230 6.088 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.045 4.910 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.006 5.418 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.497 8.401 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.738 7.726 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.209 8.871 -4.262 1.00 0.00 H new ATOM 337 N THR A 22 4.974 7.712 -6.636 1.00 0.00 N ATOM 338 CA THR A 22 6.439 7.926 -6.468 1.00 0.00 C ATOM 339 C THR A 22 6.689 8.727 -5.191 1.00 0.00 C ATOM 340 O THR A 22 6.560 9.935 -5.169 1.00 0.00 O ATOM 341 CB THR A 22 6.989 8.698 -7.671 1.00 0.00 C ATOM 342 OG1 THR A 22 6.769 7.944 -8.854 1.00 0.00 O ATOM 343 CG2 THR A 22 8.489 8.934 -7.485 1.00 0.00 C ATOM 0 H THR A 22 4.503 8.383 -7.243 1.00 0.00 H new ATOM 0 HA THR A 22 6.941 6.961 -6.400 1.00 0.00 H new ATOM 0 HB THR A 22 6.480 9.659 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.119 8.437 -9.626 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.880 9.483 -8.341 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.656 9.512 -6.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.001 7.975 -7.405 1.00 0.00 H new ATOM 351 N ILE A 23 7.044 8.064 -4.125 1.00 0.00 N ATOM 352 CA ILE A 23 7.298 8.786 -2.853 1.00 0.00 C ATOM 353 C ILE A 23 8.798 8.980 -2.663 1.00 0.00 C ATOM 354 O ILE A 23 9.597 8.588 -3.490 1.00 0.00 O ATOM 355 CB ILE A 23 6.747 7.974 -1.680 1.00 0.00 C ATOM 356 CG1 ILE A 23 7.231 6.524 -1.788 1.00 0.00 C ATOM 357 CG2 ILE A 23 5.222 8.008 -1.712 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.662 6.023 -0.407 1.00 0.00 C ATOM 0 H ILE A 23 7.168 7.053 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 23 6.804 9.757 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 23 7.100 8.403 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.435 5.893 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.065 6.459 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.828 7.430 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.879 9.040 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.868 7.579 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.006 4.992 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.471 6.648 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.816 6.072 0.278 1.00 0.00 H new ATOM 370 N LYS A 24 9.185 9.572 -1.571 1.00 0.00 N ATOM 371 CA LYS A 24 10.633 9.783 -1.315 1.00 0.00 C ATOM 372 C LYS A 24 11.142 8.624 -0.453 1.00 0.00 C ATOM 373 O LYS A 24 10.387 7.730 -0.124 1.00 0.00 O ATOM 374 CB LYS A 24 10.844 11.119 -0.591 1.00 0.00 C ATOM 375 CG LYS A 24 9.696 12.079 -0.917 1.00 0.00 C ATOM 376 CD LYS A 24 9.599 12.258 -2.433 1.00 0.00 C ATOM 377 CE LYS A 24 9.860 13.722 -2.792 1.00 0.00 C ATOM 378 NZ LYS A 24 11.321 14.002 -2.705 1.00 0.00 N ATOM 0 H LYS A 24 8.560 9.919 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 24 11.183 9.814 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.897 10.954 0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.794 11.560 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.757 11.687 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.865 13.042 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.324 11.615 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.611 11.957 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.498 13.931 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.312 14.377 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.499 14.997 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.653 13.818 -1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.833 13.386 -3.369 1.00 0.00 H new ATOM 392 N PRO A 25 12.404 8.659 -0.116 1.00 0.00 N ATOM 393 CA PRO A 25 13.024 7.605 0.699 1.00 0.00 C ATOM 394 C PRO A 25 12.655 7.784 2.171 1.00 0.00 C ATOM 395 O PRO A 25 13.495 8.069 3.000 1.00 0.00 O ATOM 396 CB PRO A 25 14.524 7.809 0.473 1.00 0.00 C ATOM 397 CG PRO A 25 14.700 9.275 0.013 1.00 0.00 C ATOM 398 CD PRO A 25 13.327 9.744 -0.506 1.00 0.00 C ATOM 0 HA PRO A 25 12.696 6.602 0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 25 15.084 7.619 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.901 7.117 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 25 15.036 9.902 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.455 9.347 -0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.036 10.695 -0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.338 9.889 -1.586 1.00 0.00 H new ATOM 406 N GLY A 26 11.403 7.612 2.505 1.00 0.00 N ATOM 407 CA GLY A 26 10.996 7.767 3.927 1.00 0.00 C ATOM 408 C GLY A 26 9.937 8.861 4.049 1.00 0.00 C ATOM 409 O GLY A 26 10.203 9.948 4.522 1.00 0.00 O ATOM 0 H GLY A 26 10.652 7.373 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.602 6.824 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.863 8.019 4.537 1.00 0.00 H new ATOM 413 N ASP A 27 8.736 8.579 3.635 1.00 0.00 N ATOM 414 CA ASP A 27 7.654 9.595 3.735 1.00 0.00 C ATOM 415 C ASP A 27 6.478 8.981 4.494 1.00 0.00 C ATOM 416 O ASP A 27 6.661 8.221 5.423 1.00 0.00 O ATOM 417 CB ASP A 27 7.209 10.007 2.331 1.00 0.00 C ATOM 418 CG ASP A 27 8.421 10.485 1.530 1.00 0.00 C ATOM 419 OD1 ASP A 27 9.054 9.655 0.898 1.00 0.00 O ATOM 420 OD2 ASP A 27 8.696 11.674 1.561 1.00 0.00 O ATOM 0 H ASP A 27 8.456 7.686 3.230 1.00 0.00 H new ATOM 0 HA ASP A 27 8.014 10.477 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.736 9.165 1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.465 10.801 2.392 1.00 0.00 H new ATOM 425 N THR A 28 5.271 9.290 4.108 1.00 0.00 N ATOM 426 CA THR A 28 4.106 8.704 4.814 1.00 0.00 C ATOM 427 C THR A 28 2.952 8.518 3.830 1.00 0.00 C ATOM 428 O THR A 28 2.229 9.443 3.518 1.00 0.00 O ATOM 429 CB THR A 28 3.670 9.627 5.953 1.00 0.00 C ATOM 430 OG1 THR A 28 4.689 9.663 6.945 1.00 0.00 O ATOM 431 CG2 THR A 28 2.371 9.101 6.566 1.00 0.00 C ATOM 0 H THR A 28 5.045 9.920 3.338 1.00 0.00 H new ATOM 0 HA THR A 28 4.387 7.736 5.228 1.00 0.00 H new ATOM 0 HB THR A 28 3.504 10.633 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.515 8.972 7.618 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.060 9.758 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.593 9.074 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.533 8.096 6.955 1.00 0.00 H new ATOM 439 N VAL A 29 2.776 7.324 3.343 1.00 0.00 N ATOM 440 CA VAL A 29 1.677 7.061 2.384 1.00 0.00 C ATOM 441 C VAL A 29 0.505 6.421 3.131 1.00 0.00 C ATOM 442 O VAL A 29 0.633 5.364 3.715 1.00 0.00 O ATOM 443 CB VAL A 29 2.181 6.112 1.295 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.256 6.185 0.078 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.597 6.522 0.882 1.00 0.00 C ATOM 0 H VAL A 29 3.352 6.514 3.572 1.00 0.00 H new ATOM 0 HA VAL A 29 1.347 7.993 1.926 1.00 0.00 H new ATOM 0 HB VAL A 29 2.191 5.092 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.618 5.508 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.247 5.895 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.243 7.204 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.959 5.848 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.583 7.542 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.258 6.468 1.747 1.00 0.00 H new ATOM 455 N GLU A 30 -0.635 7.057 3.127 1.00 0.00 N ATOM 456 CA GLU A 30 -1.803 6.487 3.847 1.00 0.00 C ATOM 457 C GLU A 30 -2.728 5.780 2.856 1.00 0.00 C ATOM 458 O GLU A 30 -2.733 6.071 1.676 1.00 0.00 O ATOM 459 CB GLU A 30 -2.570 7.611 4.549 1.00 0.00 C ATOM 460 CG GLU A 30 -3.926 7.085 5.027 1.00 0.00 C ATOM 461 CD GLU A 30 -4.714 8.221 5.682 1.00 0.00 C ATOM 462 OE1 GLU A 30 -4.344 9.366 5.481 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.676 7.927 6.373 1.00 0.00 O ATOM 0 H GLU A 30 -0.805 7.946 2.656 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.452 5.768 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.994 7.984 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.713 8.449 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.487 6.678 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.782 6.271 5.738 1.00 0.00 H new ATOM 470 N PHE A 31 -3.510 4.851 3.332 1.00 0.00 N ATOM 471 CA PHE A 31 -4.441 4.119 2.427 1.00 0.00 C ATOM 472 C PHE A 31 -5.699 3.731 3.214 1.00 0.00 C ATOM 473 O PHE A 31 -5.647 3.505 4.406 1.00 0.00 O ATOM 474 CB PHE A 31 -3.767 2.847 1.883 1.00 0.00 C ATOM 475 CG PHE A 31 -2.284 2.848 2.200 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.405 3.652 1.462 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.788 2.039 3.230 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.039 3.645 1.756 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.422 2.036 3.521 1.00 0.00 C ATOM 480 CZ PHE A 31 0.452 2.838 2.785 1.00 0.00 C ATOM 0 H PHE A 31 -3.545 4.566 4.311 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.706 4.763 1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.237 1.966 2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.913 2.785 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.783 4.277 0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.462 1.417 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.638 4.264 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.041 1.412 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.508 2.835 3.011 1.00 0.00 H new ATOM 490 N LEU A 32 -6.829 3.661 2.562 1.00 0.00 N ATOM 491 CA LEU A 32 -8.082 3.291 3.279 1.00 0.00 C ATOM 492 C LEU A 32 -8.948 2.397 2.384 1.00 0.00 C ATOM 493 O LEU A 32 -8.524 1.958 1.335 1.00 0.00 O ATOM 494 CB LEU A 32 -8.858 4.559 3.641 1.00 0.00 C ATOM 495 CG LEU A 32 -7.923 5.554 4.329 1.00 0.00 C ATOM 496 CD1 LEU A 32 -7.288 6.469 3.280 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.724 6.399 5.322 1.00 0.00 C ATOM 0 H LEU A 32 -6.938 3.844 1.564 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.828 2.748 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.284 5.006 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.691 4.312 4.299 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.140 5.011 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.622 7.178 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.719 5.869 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.070 7.013 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.060 7.109 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.506 6.942 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.178 5.749 6.070 1.00 0.00 H new ATOM 509 N ASN A 33 -10.162 2.131 2.791 1.00 0.00 N ATOM 510 CA ASN A 33 -11.059 1.271 1.964 1.00 0.00 C ATOM 511 C ASN A 33 -12.233 2.109 1.445 1.00 0.00 C ATOM 512 O ASN A 33 -12.545 3.151 1.987 1.00 0.00 O ATOM 513 CB ASN A 33 -11.565 0.093 2.815 1.00 0.00 C ATOM 514 CG ASN A 33 -12.807 0.467 3.632 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.247 1.596 3.639 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.389 -0.459 4.339 1.00 0.00 N ATOM 0 H ASN A 33 -10.571 2.472 3.661 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.510 0.874 1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.799 -0.750 2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.773 -0.234 3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.213 -0.233 4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.021 -1.410 4.335 1.00 0.00 H new ATOM 523 N ASN A 34 -12.891 1.667 0.408 1.00 0.00 N ATOM 524 CA ASN A 34 -14.046 2.449 -0.122 1.00 0.00 C ATOM 525 C ASN A 34 -15.344 1.906 0.481 1.00 0.00 C ATOM 526 O ASN A 34 -15.745 2.292 1.561 1.00 0.00 O ATOM 527 CB ASN A 34 -14.101 2.326 -1.645 1.00 0.00 C ATOM 528 CG ASN A 34 -15.419 2.910 -2.155 1.00 0.00 C ATOM 529 OD1 ASN A 34 -16.066 3.675 -1.467 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.848 2.577 -3.341 1.00 0.00 N ATOM 0 H ASN A 34 -12.681 0.804 -0.093 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.926 3.498 0.148 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.259 2.853 -2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.016 1.280 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.727 2.959 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.305 1.935 -3.918 1.00 0.00 H new ATOM 537 N LYS A 35 -16.004 1.012 -0.205 1.00 0.00 N ATOM 538 CA LYS A 35 -17.271 0.448 0.337 1.00 0.00 C ATOM 539 C LYS A 35 -17.367 -1.031 -0.038 1.00 0.00 C ATOM 540 O LYS A 35 -18.429 -1.541 -0.335 1.00 0.00 O ATOM 541 CB LYS A 35 -18.464 1.204 -0.251 1.00 0.00 C ATOM 542 CG LYS A 35 -19.655 1.098 0.703 1.00 0.00 C ATOM 543 CD LYS A 35 -19.729 2.356 1.571 1.00 0.00 C ATOM 544 CE LYS A 35 -21.019 3.118 1.259 1.00 0.00 C ATOM 545 NZ LYS A 35 -21.583 3.677 2.520 1.00 0.00 N ATOM 0 H LYS A 35 -15.720 0.649 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.280 0.551 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.203 2.250 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.726 0.790 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.579 0.980 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.552 0.214 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.701 2.084 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.864 2.992 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.817 3.922 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.742 2.452 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.460 4.195 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.790 2.902 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.893 4.325 2.951 1.00 0.00 H new ATOM 559 N VAL A 36 -16.262 -1.721 -0.024 1.00 0.00 N ATOM 560 CA VAL A 36 -16.278 -3.169 -0.377 1.00 0.00 C ATOM 561 C VAL A 36 -15.147 -3.877 0.372 1.00 0.00 C ATOM 562 O VAL A 36 -14.239 -4.409 -0.235 1.00 0.00 O ATOM 563 CB VAL A 36 -16.075 -3.341 -1.886 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.859 -4.563 -2.368 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.576 -2.094 -2.621 1.00 0.00 C ATOM 0 H VAL A 36 -15.345 -1.344 0.217 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.239 -3.601 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.014 -3.480 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.716 -4.687 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.502 -5.452 -1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.919 -4.421 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.430 -2.221 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.637 -1.951 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.019 -1.222 -2.279 1.00 0.00 H new ATOM 575 N PRO A 37 -15.238 -3.857 1.676 1.00 0.00 N ATOM 576 CA PRO A 37 -14.235 -4.484 2.553 1.00 0.00 C ATOM 577 C PRO A 37 -14.436 -6.003 2.588 1.00 0.00 C ATOM 578 O PRO A 37 -15.393 -6.511 2.039 1.00 0.00 O ATOM 579 CB PRO A 37 -14.524 -3.863 3.925 1.00 0.00 C ATOM 580 CG PRO A 37 -15.989 -3.369 3.884 1.00 0.00 C ATOM 581 CD PRO A 37 -16.355 -3.208 2.398 1.00 0.00 C ATOM 0 HA PRO A 37 -13.209 -4.320 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.384 -4.596 4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.842 -3.038 4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.653 -4.083 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.094 -2.422 4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.308 -3.685 2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.450 -2.158 2.123 1.00 0.00 H new ATOM 589 N PRO A 38 -13.534 -6.680 3.251 1.00 0.00 N ATOM 590 CA PRO A 38 -12.373 -6.058 3.916 1.00 0.00 C ATOM 591 C PRO A 38 -11.232 -5.843 2.917 1.00 0.00 C ATOM 592 O PRO A 38 -11.433 -5.880 1.723 1.00 0.00 O ATOM 593 CB PRO A 38 -11.974 -7.098 4.964 1.00 0.00 C ATOM 594 CG PRO A 38 -12.521 -8.458 4.462 1.00 0.00 C ATOM 595 CD PRO A 38 -13.610 -8.142 3.420 1.00 0.00 C ATOM 0 HA PRO A 38 -12.596 -5.079 4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.891 -7.135 5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.392 -6.847 5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.724 -9.056 4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.933 -9.038 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.425 -8.662 2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.596 -8.452 3.767 1.00 0.00 H new ATOM 603 N HIS A 39 -10.036 -5.622 3.401 1.00 0.00 N ATOM 604 CA HIS A 39 -8.879 -5.413 2.479 1.00 0.00 C ATOM 605 C HIS A 39 -7.567 -5.628 3.238 1.00 0.00 C ATOM 606 O HIS A 39 -7.312 -5.000 4.246 1.00 0.00 O ATOM 607 CB HIS A 39 -8.916 -3.992 1.911 1.00 0.00 C ATOM 608 CG HIS A 39 -10.058 -3.885 0.942 1.00 0.00 C ATOM 609 ND1 HIS A 39 -10.070 -4.578 -0.266 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.251 -3.210 1.005 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.245 -4.307 -0.867 1.00 0.00 C ATOM 612 NE2 HIS A 39 -11.993 -3.489 -0.133 1.00 0.00 N ATOM 0 H HIS A 39 -9.811 -5.577 4.395 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.944 -6.129 1.660 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.036 -3.267 2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.975 -3.761 1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.563 -2.564 1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.542 -4.705 -1.826 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.923 -3.138 -0.360 1.00 0.00 H new ATOM 620 N ASN A 40 -6.729 -6.506 2.758 1.00 0.00 N ATOM 621 CA ASN A 40 -5.431 -6.752 3.446 1.00 0.00 C ATOM 622 C ASN A 40 -4.319 -6.012 2.702 1.00 0.00 C ATOM 623 O ASN A 40 -3.978 -6.345 1.584 1.00 0.00 O ATOM 624 CB ASN A 40 -5.131 -8.252 3.453 1.00 0.00 C ATOM 625 CG ASN A 40 -4.383 -8.615 4.736 1.00 0.00 C ATOM 626 OD1 ASN A 40 -3.178 -8.770 4.727 1.00 0.00 O ATOM 627 ND2 ASN A 40 -5.052 -8.757 5.847 1.00 0.00 N ATOM 0 H ASN A 40 -6.888 -7.064 1.919 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.488 -6.391 4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.059 -8.820 3.387 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.532 -8.518 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.563 -8.998 6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.064 -8.627 5.853 1.00 0.00 H new ATOM 634 N VAL A 41 -3.753 -5.004 3.309 1.00 0.00 N ATOM 635 CA VAL A 41 -2.668 -4.238 2.631 1.00 0.00 C ATOM 636 C VAL A 41 -1.308 -4.665 3.189 1.00 0.00 C ATOM 637 O VAL A 41 -1.095 -4.675 4.384 1.00 0.00 O ATOM 638 CB VAL A 41 -2.873 -2.744 2.884 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.629 -1.977 2.433 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.090 -2.254 2.095 1.00 0.00 C ATOM 0 H VAL A 41 -3.995 -4.678 4.245 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.697 -4.439 1.560 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.039 -2.574 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.773 -0.912 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.763 -2.326 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.463 -2.146 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.236 -1.189 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.926 -2.422 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.976 -2.801 2.416 1.00 0.00 H new ATOM 650 N VAL A 42 -0.384 -5.015 2.331 1.00 0.00 N ATOM 651 CA VAL A 42 0.965 -5.441 2.813 1.00 0.00 C ATOM 652 C VAL A 42 1.981 -5.310 1.672 1.00 0.00 C ATOM 653 O VAL A 42 1.622 -5.145 0.523 1.00 0.00 O ATOM 654 CB VAL A 42 0.918 -6.908 3.274 1.00 0.00 C ATOM 655 CG1 VAL A 42 0.760 -6.982 4.794 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.264 -7.626 2.616 1.00 0.00 C ATOM 0 H VAL A 42 -0.505 -5.024 1.318 1.00 0.00 H new ATOM 0 HA VAL A 42 1.260 -4.806 3.648 1.00 0.00 H new ATOM 0 HB VAL A 42 1.851 -7.390 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.728 -8.026 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.605 -6.486 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.166 -6.487 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.290 -8.664 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.193 -7.131 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.151 -7.594 1.532 1.00 0.00 H new ATOM 666 N PHE A 43 3.250 -5.392 1.982 1.00 0.00 N ATOM 667 CA PHE A 43 4.292 -5.281 0.918 1.00 0.00 C ATOM 668 C PHE A 43 4.945 -6.647 0.706 1.00 0.00 C ATOM 669 O PHE A 43 5.313 -7.321 1.647 1.00 0.00 O ATOM 670 CB PHE A 43 5.366 -4.275 1.345 1.00 0.00 C ATOM 671 CG PHE A 43 4.719 -3.079 1.982 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.253 -3.162 3.296 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.593 -1.883 1.266 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.659 -2.051 3.895 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.999 -0.770 1.870 1.00 0.00 C ATOM 676 CZ PHE A 43 3.533 -0.859 3.186 1.00 0.00 C ATOM 0 H PHE A 43 3.609 -5.531 2.926 1.00 0.00 H new ATOM 0 HA PHE A 43 3.825 -4.943 -0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.057 -4.743 2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.952 -3.965 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.352 -4.085 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.953 -1.820 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.296 -2.115 4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.900 0.155 1.322 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.074 -0.001 3.654 1.00 0.00 H new ATOM 686 N ASP A 44 5.101 -7.062 -0.522 1.00 0.00 N ATOM 687 CA ASP A 44 5.740 -8.382 -0.776 1.00 0.00 C ATOM 688 C ASP A 44 7.128 -8.394 -0.133 1.00 0.00 C ATOM 689 O ASP A 44 7.874 -7.441 -0.230 1.00 0.00 O ATOM 690 CB ASP A 44 5.872 -8.612 -2.283 1.00 0.00 C ATOM 691 CG ASP A 44 5.959 -10.114 -2.563 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.329 -10.869 -1.840 1.00 0.00 O ATOM 693 OD2 ASP A 44 6.653 -10.484 -3.495 1.00 0.00 O ATOM 0 H ASP A 44 4.815 -6.547 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 44 5.126 -9.174 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.016 -8.183 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.761 -8.108 -2.662 1.00 0.00 H new ATOM 698 N ALA A 45 7.477 -9.461 0.530 1.00 0.00 N ATOM 699 CA ALA A 45 8.810 -9.527 1.186 1.00 0.00 C ATOM 700 C ALA A 45 9.867 -10.002 0.184 1.00 0.00 C ATOM 701 O ALA A 45 10.910 -10.497 0.561 1.00 0.00 O ATOM 702 CB ALA A 45 8.748 -10.504 2.360 1.00 0.00 C ATOM 0 H ALA A 45 6.895 -10.291 0.645 1.00 0.00 H new ATOM 0 HA ALA A 45 9.081 -8.534 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.724 -10.555 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.004 -10.162 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.472 -11.493 1.996 1.00 0.00 H new ATOM 708 N ALA A 46 9.613 -9.857 -1.089 1.00 0.00 N ATOM 709 CA ALA A 46 10.611 -10.304 -2.100 1.00 0.00 C ATOM 710 C ALA A 46 10.725 -9.255 -3.209 1.00 0.00 C ATOM 711 O ALA A 46 11.401 -9.456 -4.199 1.00 0.00 O ATOM 712 CB ALA A 46 10.165 -11.637 -2.703 1.00 0.00 C ATOM 0 H ALA A 46 8.759 -9.449 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 46 11.581 -10.429 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.895 -11.964 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.087 -12.385 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.194 -11.513 -3.182 1.00 0.00 H new ATOM 718 N LEU A 47 10.069 -8.137 -3.055 1.00 0.00 N ATOM 719 CA LEU A 47 10.144 -7.081 -4.103 1.00 0.00 C ATOM 720 C LEU A 47 10.867 -5.854 -3.543 1.00 0.00 C ATOM 721 O LEU A 47 10.477 -4.729 -3.781 1.00 0.00 O ATOM 722 CB LEU A 47 8.728 -6.691 -4.534 1.00 0.00 C ATOM 723 CG LEU A 47 8.388 -7.384 -5.855 1.00 0.00 C ATOM 724 CD1 LEU A 47 7.908 -8.810 -5.576 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.282 -6.605 -6.569 1.00 0.00 C ATOM 0 H LEU A 47 9.485 -7.910 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 47 10.694 -7.461 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.010 -6.978 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.656 -5.609 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 47 9.276 -7.417 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.666 -9.303 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.695 -9.366 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.020 -8.778 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.039 -7.098 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.394 -6.572 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.623 -5.589 -6.769 1.00 0.00 H new ATOM 737 N ASN A 48 11.921 -6.065 -2.801 1.00 0.00 N ATOM 738 CA ASN A 48 12.673 -4.913 -2.226 1.00 0.00 C ATOM 739 C ASN A 48 14.071 -4.859 -2.853 1.00 0.00 C ATOM 740 O ASN A 48 14.502 -5.805 -3.482 1.00 0.00 O ATOM 741 CB ASN A 48 12.789 -5.081 -0.708 1.00 0.00 C ATOM 742 CG ASN A 48 12.803 -6.569 -0.356 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.233 -7.387 -1.145 1.00 0.00 O ATOM 744 ND2 ASN A 48 12.347 -6.958 0.803 1.00 0.00 N ATOM 0 H ASN A 48 12.294 -6.986 -2.568 1.00 0.00 H new ATOM 0 HA ASN A 48 12.144 -3.985 -2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.700 -4.603 -0.348 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.953 -4.588 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.352 -7.948 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.986 -6.272 1.466 1.00 0.00 H new ATOM 751 N PRO A 49 14.732 -3.743 -2.674 1.00 0.00 N ATOM 752 CA PRO A 49 16.082 -3.522 -3.224 1.00 0.00 C ATOM 753 C PRO A 49 17.151 -4.234 -2.388 1.00 0.00 C ATOM 754 O PRO A 49 18.163 -4.665 -2.905 1.00 0.00 O ATOM 755 CB PRO A 49 16.254 -2.002 -3.147 1.00 0.00 C ATOM 756 CG PRO A 49 15.267 -1.505 -2.064 1.00 0.00 C ATOM 757 CD PRO A 49 14.195 -2.600 -1.907 1.00 0.00 C ATOM 0 HA PRO A 49 16.192 -3.916 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.280 -1.740 -2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.040 -1.538 -4.110 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.784 -1.331 -1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.813 -0.559 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.041 -2.860 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.232 -2.274 -2.299 1.00 0.00 H new ATOM 765 N ALA A 50 16.950 -4.357 -1.104 1.00 0.00 N ATOM 766 CA ALA A 50 17.978 -5.038 -0.264 1.00 0.00 C ATOM 767 C ALA A 50 17.342 -6.173 0.533 1.00 0.00 C ATOM 768 O ALA A 50 17.843 -6.573 1.564 1.00 0.00 O ATOM 769 CB ALA A 50 18.606 -4.030 0.701 1.00 0.00 C ATOM 0 H ALA A 50 16.128 -4.020 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 50 18.748 -5.449 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 50 19.356 -4.531 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 50 19.077 -3.228 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.832 -3.612 1.345 1.00 0.00 H new ATOM 775 N LYS A 51 16.254 -6.698 0.049 1.00 0.00 N ATOM 776 CA LYS A 51 15.571 -7.823 0.758 1.00 0.00 C ATOM 777 C LYS A 51 15.672 -7.631 2.274 1.00 0.00 C ATOM 778 O LYS A 51 16.617 -8.069 2.899 1.00 0.00 O ATOM 779 CB LYS A 51 16.239 -9.142 0.369 1.00 0.00 C ATOM 780 CG LYS A 51 16.232 -9.288 -1.153 1.00 0.00 C ATOM 781 CD LYS A 51 16.423 -10.759 -1.524 1.00 0.00 C ATOM 782 CE LYS A 51 17.871 -10.995 -1.956 1.00 0.00 C ATOM 783 NZ LYS A 51 17.973 -10.865 -3.436 1.00 0.00 N ATOM 0 H LYS A 51 15.802 -6.396 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 51 14.519 -7.840 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.263 -9.168 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.711 -9.978 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.291 -8.918 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.028 -8.685 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.179 -11.394 -0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.743 -11.032 -2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.529 -10.274 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.198 -11.987 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.957 -11.025 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.356 -11.569 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.677 -9.910 -3.722 1.00 0.00 H new ATOM 797 N SER A 52 14.713 -6.980 2.872 1.00 0.00 N ATOM 798 CA SER A 52 14.773 -6.767 4.345 1.00 0.00 C ATOM 799 C SER A 52 13.378 -6.946 4.949 1.00 0.00 C ATOM 800 O SER A 52 12.395 -6.469 4.417 1.00 0.00 O ATOM 801 CB SER A 52 15.279 -5.355 4.636 1.00 0.00 C ATOM 802 OG SER A 52 16.629 -5.241 4.204 1.00 0.00 O ATOM 0 H SER A 52 13.894 -6.588 2.407 1.00 0.00 H new ATOM 0 HA SER A 52 15.453 -7.495 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.658 -4.621 4.123 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.207 -5.143 5.703 1.00 0.00 H new ATOM 0 HG SER A 52 16.956 -4.336 4.388 1.00 0.00 H new ATOM 808 N ALA A 53 13.285 -7.630 6.056 1.00 0.00 N ATOM 809 CA ALA A 53 11.955 -7.840 6.694 1.00 0.00 C ATOM 810 C ALA A 53 11.498 -6.540 7.360 1.00 0.00 C ATOM 811 O ALA A 53 10.376 -6.105 7.189 1.00 0.00 O ATOM 812 CB ALA A 53 12.064 -8.942 7.749 1.00 0.00 C ATOM 0 H ALA A 53 14.073 -8.053 6.547 1.00 0.00 H new ATOM 0 HA ALA A 53 11.230 -8.134 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.091 -9.096 8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.390 -9.868 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.789 -8.648 8.508 1.00 0.00 H new ATOM 818 N ASP A 54 12.358 -5.916 8.119 1.00 0.00 N ATOM 819 CA ASP A 54 11.973 -4.644 8.794 1.00 0.00 C ATOM 820 C ASP A 54 11.274 -3.726 7.788 1.00 0.00 C ATOM 821 O ASP A 54 10.402 -2.956 8.137 1.00 0.00 O ATOM 822 CB ASP A 54 13.227 -3.950 9.331 1.00 0.00 C ATOM 823 CG ASP A 54 14.329 -3.995 8.271 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.998 -4.158 7.108 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.485 -3.865 8.639 1.00 0.00 O ATOM 0 H ASP A 54 13.311 -6.232 8.301 1.00 0.00 H new ATOM 0 HA ASP A 54 11.297 -4.862 9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.000 -2.916 9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.565 -4.441 10.243 1.00 0.00 H new ATOM 830 N LEU A 55 11.651 -3.805 6.541 1.00 0.00 N ATOM 831 CA LEU A 55 11.008 -2.940 5.511 1.00 0.00 C ATOM 832 C LEU A 55 9.762 -3.641 4.966 1.00 0.00 C ATOM 833 O LEU A 55 9.621 -3.843 3.776 1.00 0.00 O ATOM 834 CB LEU A 55 11.992 -2.691 4.367 1.00 0.00 C ATOM 835 CG LEU A 55 11.387 -1.690 3.382 1.00 0.00 C ATOM 836 CD1 LEU A 55 11.060 -0.386 4.113 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.394 -1.407 2.265 1.00 0.00 C ATOM 0 H LEU A 55 12.376 -4.431 6.191 1.00 0.00 H new ATOM 0 HA LEU A 55 10.725 -1.988 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.933 -2.307 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.218 -3.628 3.857 1.00 0.00 H new ATOM 0 HG LEU A 55 10.474 -2.106 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.629 0.327 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.345 -0.586 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.973 0.031 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.966 -0.694 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.306 -0.991 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.629 -2.335 1.743 1.00 0.00 H new ATOM 849 N ALA A 56 8.860 -4.016 5.829 1.00 0.00 N ATOM 850 CA ALA A 56 7.624 -4.706 5.367 1.00 0.00 C ATOM 851 C ALA A 56 6.948 -5.382 6.561 1.00 0.00 C ATOM 852 O ALA A 56 5.767 -5.219 6.795 1.00 0.00 O ATOM 853 CB ALA A 56 7.988 -5.764 4.323 1.00 0.00 C ATOM 0 H ALA A 56 8.926 -3.874 6.837 1.00 0.00 H new ATOM 0 HA ALA A 56 6.944 -3.979 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.083 -6.269 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.475 -5.285 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.666 -6.493 4.765 1.00 0.00 H new ATOM 859 N LYS A 57 7.692 -6.139 7.321 1.00 0.00 N ATOM 860 CA LYS A 57 7.098 -6.825 8.502 1.00 0.00 C ATOM 861 C LYS A 57 6.418 -5.791 9.403 1.00 0.00 C ATOM 862 O LYS A 57 5.374 -6.041 9.971 1.00 0.00 O ATOM 863 CB LYS A 57 8.203 -7.538 9.285 1.00 0.00 C ATOM 864 CG LYS A 57 7.576 -8.488 10.307 1.00 0.00 C ATOM 865 CD LYS A 57 8.475 -8.576 11.542 1.00 0.00 C ATOM 866 CE LYS A 57 9.728 -9.389 11.208 1.00 0.00 C ATOM 867 NZ LYS A 57 9.866 -10.512 12.178 1.00 0.00 N ATOM 0 H LYS A 57 8.687 -6.312 7.174 1.00 0.00 H new ATOM 0 HA LYS A 57 6.361 -7.555 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.845 -8.094 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.833 -6.807 9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.585 -8.132 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.446 -9.477 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.755 -7.576 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.935 -9.043 12.365 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.662 -9.778 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.610 -8.750 11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.717 -11.064 11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.948 -10.130 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.029 -11.126 12.119 1.00 0.00 H new ATOM 881 N SER A 58 7.002 -4.631 9.538 1.00 0.00 N ATOM 882 CA SER A 58 6.387 -3.584 10.402 1.00 0.00 C ATOM 883 C SER A 58 5.733 -2.516 9.524 1.00 0.00 C ATOM 884 O SER A 58 4.879 -1.773 9.965 1.00 0.00 O ATOM 885 CB SER A 58 7.468 -2.939 11.270 1.00 0.00 C ATOM 886 OG SER A 58 7.006 -1.677 11.731 1.00 0.00 O ATOM 0 H SER A 58 7.877 -4.364 9.088 1.00 0.00 H new ATOM 0 HA SER A 58 5.631 -4.040 11.042 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.705 -3.584 12.116 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.387 -2.816 10.696 1.00 0.00 H new ATOM 0 HG SER A 58 7.695 -1.260 12.289 1.00 0.00 H new ATOM 892 N LEU A 59 6.128 -2.433 8.283 1.00 0.00 N ATOM 893 CA LEU A 59 5.528 -1.413 7.375 1.00 0.00 C ATOM 894 C LEU A 59 4.047 -1.724 7.168 1.00 0.00 C ATOM 895 O LEU A 59 3.198 -0.861 7.275 1.00 0.00 O ATOM 896 CB LEU A 59 6.235 -1.458 6.017 1.00 0.00 C ATOM 897 CG LEU A 59 5.951 -0.173 5.243 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.556 1.018 5.989 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.579 -0.275 3.852 1.00 0.00 C ATOM 0 H LEU A 59 6.840 -3.027 7.858 1.00 0.00 H new ATOM 0 HA LEU A 59 5.642 -0.425 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.309 -1.578 6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.891 -2.321 5.446 1.00 0.00 H new ATOM 0 HG LEU A 59 4.874 -0.032 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.353 1.935 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.113 1.088 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.633 0.881 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.379 0.640 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.656 -0.414 3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.150 -1.124 3.321 1.00 0.00 H new ATOM 911 N SER A 60 3.737 -2.947 6.843 1.00 0.00 N ATOM 912 CA SER A 60 2.316 -3.317 6.595 1.00 0.00 C ATOM 913 C SER A 60 1.591 -3.608 7.907 1.00 0.00 C ATOM 914 O SER A 60 2.164 -3.563 8.978 1.00 0.00 O ATOM 915 CB SER A 60 2.276 -4.559 5.716 1.00 0.00 C ATOM 916 OG SER A 60 3.037 -5.592 6.328 1.00 0.00 O ATOM 0 H SER A 60 4.408 -3.708 6.738 1.00 0.00 H new ATOM 0 HA SER A 60 1.817 -2.483 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.246 -4.886 5.575 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.677 -4.333 4.728 1.00 0.00 H new ATOM 0 HG SER A 60 3.989 -5.365 6.288 1.00 0.00 H new ATOM 922 N HIS A 61 0.324 -3.913 7.819 1.00 0.00 N ATOM 923 CA HIS A 61 -0.468 -4.219 9.040 1.00 0.00 C ATOM 924 C HIS A 61 -0.787 -5.714 9.061 1.00 0.00 C ATOM 925 O HIS A 61 -0.080 -6.516 8.484 1.00 0.00 O ATOM 926 CB HIS A 61 -1.775 -3.422 9.011 1.00 0.00 C ATOM 927 CG HIS A 61 -2.677 -3.973 7.937 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.674 -4.905 8.210 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.742 -3.735 6.586 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.286 -5.186 7.044 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.757 -4.501 6.030 1.00 0.00 N ATOM 0 H HIS A 61 -0.199 -3.963 6.944 1.00 0.00 H new ATOM 0 HA HIS A 61 0.102 -3.948 9.929 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.270 -3.479 9.981 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.567 -2.369 8.821 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.899 -5.301 9.123 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.102 -3.057 6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.106 -5.882 6.943 1.00 0.00 H new ATOM 939 N LYS A 62 -1.848 -6.094 9.713 1.00 0.00 N ATOM 940 CA LYS A 62 -2.210 -7.536 9.759 1.00 0.00 C ATOM 941 C LYS A 62 -3.732 -7.677 9.827 1.00 0.00 C ATOM 942 O LYS A 62 -4.354 -8.237 8.947 1.00 0.00 O ATOM 943 CB LYS A 62 -1.580 -8.180 10.995 1.00 0.00 C ATOM 944 CG LYS A 62 -0.218 -8.769 10.622 1.00 0.00 C ATOM 945 CD LYS A 62 -0.413 -10.168 10.034 1.00 0.00 C ATOM 946 CE LYS A 62 0.935 -10.714 9.559 1.00 0.00 C ATOM 947 NZ LYS A 62 0.706 -11.803 8.567 1.00 0.00 N ATOM 0 H LYS A 62 -2.479 -5.470 10.215 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.840 -8.034 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.464 -7.439 11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.232 -8.962 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.283 -8.125 9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.423 -8.819 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.843 -10.832 10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.116 -10.130 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.525 -9.916 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.505 -11.093 10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.621 -12.175 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.159 -12.568 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.178 -11.427 7.754 1.00 0.00 H new ATOM 961 N GLN A 63 -4.336 -7.172 10.867 1.00 0.00 N ATOM 962 CA GLN A 63 -5.817 -7.278 10.993 1.00 0.00 C ATOM 963 C GLN A 63 -6.475 -6.899 9.664 1.00 0.00 C ATOM 964 O GLN A 63 -5.976 -6.074 8.925 1.00 0.00 O ATOM 965 CB GLN A 63 -6.304 -6.331 12.091 1.00 0.00 C ATOM 966 CG GLN A 63 -5.755 -4.927 11.836 1.00 0.00 C ATOM 967 CD GLN A 63 -4.858 -4.508 13.003 1.00 0.00 C ATOM 968 OE1 GLN A 63 -4.065 -5.292 13.487 1.00 0.00 O ATOM 969 NE2 GLN A 63 -4.951 -3.297 13.479 1.00 0.00 N ATOM 0 H GLN A 63 -3.868 -6.691 11.635 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.085 -8.303 11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.394 -6.309 12.110 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.976 -6.689 13.067 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.189 -4.910 10.905 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.576 -4.219 11.723 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.616 -2.639 13.073 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.358 -3.008 14.257 1.00 0.00 H new ATOM 978 N LEU A 64 -7.596 -7.495 9.355 1.00 0.00 N ATOM 979 CA LEU A 64 -8.287 -7.169 8.076 1.00 0.00 C ATOM 980 C LEU A 64 -8.946 -5.793 8.188 1.00 0.00 C ATOM 981 O LEU A 64 -9.093 -5.251 9.266 1.00 0.00 O ATOM 982 CB LEU A 64 -9.360 -8.224 7.792 1.00 0.00 C ATOM 983 CG LEU A 64 -8.714 -9.450 7.145 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.436 -10.504 8.218 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.664 -10.030 6.093 1.00 0.00 C ATOM 0 H LEU A 64 -8.062 -8.193 9.934 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.560 -7.160 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.858 -8.509 8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.124 -7.812 7.133 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.777 -9.160 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.976 -11.379 7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.761 -10.091 8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.373 -10.795 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.205 -10.904 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.600 -10.321 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.864 -9.278 5.329 1.00 0.00 H new ATOM 997 N LEU A 65 -9.345 -5.224 7.084 1.00 0.00 N ATOM 998 CA LEU A 65 -9.996 -3.884 7.130 1.00 0.00 C ATOM 999 C LEU A 65 -11.476 -4.051 7.473 1.00 0.00 C ATOM 1000 O LEU A 65 -12.194 -4.788 6.827 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.866 -3.205 5.766 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.870 -2.050 5.861 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.459 -2.608 6.057 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -8.922 -1.234 4.567 1.00 0.00 C ATOM 0 H LEU A 65 -9.249 -5.628 6.153 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.511 -3.271 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.532 -3.926 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.838 -2.835 5.439 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.127 -1.412 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.748 -1.784 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.424 -3.194 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.198 -3.244 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.213 -0.408 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.662 -1.873 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.928 -0.839 4.426 1.00 0.00 H new ATOM 1016 N MET A 66 -11.940 -3.373 8.485 1.00 0.00 N ATOM 1017 CA MET A 66 -13.374 -3.497 8.867 1.00 0.00 C ATOM 1018 C MET A 66 -14.031 -2.113 8.872 1.00 0.00 C ATOM 1019 O MET A 66 -15.231 -1.986 8.730 1.00 0.00 O ATOM 1020 CB MET A 66 -13.475 -4.118 10.261 1.00 0.00 C ATOM 1021 CG MET A 66 -14.904 -4.609 10.499 1.00 0.00 C ATOM 1022 SD MET A 66 -14.859 -6.281 11.190 1.00 0.00 S ATOM 1023 CE MET A 66 -15.625 -7.129 9.787 1.00 0.00 C ATOM 0 H MET A 66 -11.389 -2.739 9.064 1.00 0.00 H new ATOM 0 HA MET A 66 -13.887 -4.133 8.146 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.774 -4.948 10.353 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.201 -3.384 11.018 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.423 -3.936 11.181 1.00 0.00 H new ATOM 0 HG3 MET A 66 -15.462 -4.606 9.563 1.00 0.00 H new ATOM 0 HE1 MET A 66 -15.698 -8.195 10.002 1.00 0.00 H new ATOM 0 HE2 MET A 66 -16.623 -6.724 9.618 1.00 0.00 H new ATOM 0 HE3 MET A 66 -15.017 -6.979 8.895 1.00 0.00 H new ATOM 1033 N SER A 67 -13.257 -1.075 9.036 1.00 0.00 N ATOM 1034 CA SER A 67 -13.844 0.295 9.050 1.00 0.00 C ATOM 1035 C SER A 67 -13.845 0.864 7.626 1.00 0.00 C ATOM 1036 O SER A 67 -12.914 0.646 6.875 1.00 0.00 O ATOM 1037 CB SER A 67 -13.008 1.198 9.959 1.00 0.00 C ATOM 1038 OG SER A 67 -13.663 2.450 10.108 1.00 0.00 O ATOM 0 H SER A 67 -12.245 -1.116 9.161 1.00 0.00 H new ATOM 0 HA SER A 67 -14.867 0.249 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.872 0.727 10.933 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.015 1.342 9.534 1.00 0.00 H new ATOM 0 HG SER A 67 -13.029 3.111 10.457 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.891 1.580 7.297 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.042 2.195 5.967 1.00 0.00 C ATOM 1046 C PRO A 68 -14.190 3.464 5.865 1.00 0.00 C ATOM 1047 O PRO A 68 -14.555 4.509 6.366 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.532 2.535 5.895 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.030 2.624 7.357 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.018 1.842 8.216 1.00 0.00 C ATOM 0 HA PRO A 68 -14.718 1.544 5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.690 3.478 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.079 1.770 5.344 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.093 3.662 7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.029 2.199 7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.699 2.421 9.083 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.448 0.914 8.593 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.058 3.381 5.223 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.189 4.583 5.093 1.00 0.00 C ATOM 1060 C GLY A 69 -11.085 4.520 6.146 1.00 0.00 C ATOM 1061 O GLY A 69 -10.822 5.479 6.844 1.00 0.00 O ATOM 0 H GLY A 69 -12.698 2.534 4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.754 4.626 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.780 5.490 5.222 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.441 3.392 6.269 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.357 3.257 7.280 1.00 0.00 C ATOM 1067 C GLN A 70 -8.625 1.932 7.060 1.00 0.00 C ATOM 1068 O GLN A 70 -9.031 0.901 7.561 1.00 0.00 O ATOM 1069 CB GLN A 70 -9.973 3.271 8.681 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.210 4.254 9.570 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.707 4.126 11.012 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.892 3.629 11.239 1.00 0.00 O flip ATOM 1073 NE2 GLN A 70 -9.010 4.483 11.941 1.00 0.00 N flip ATOM 0 H GLN A 70 -10.620 2.557 5.711 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.653 4.084 7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.023 3.557 8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.938 2.271 9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.140 4.049 9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.356 5.273 9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.084 4.871 11.764 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.351 4.394 12.898 1.00 0.00 H new ATOM 1082 N SER A 71 -7.550 1.942 6.318 1.00 0.00 N ATOM 1083 CA SER A 71 -6.813 0.670 6.085 1.00 0.00 C ATOM 1084 C SER A 71 -5.555 0.644 6.962 1.00 0.00 C ATOM 1085 O SER A 71 -5.533 0.030 8.010 1.00 0.00 O ATOM 1086 CB SER A 71 -6.444 0.536 4.598 1.00 0.00 C ATOM 1087 OG SER A 71 -5.246 1.248 4.320 1.00 0.00 O ATOM 0 H SER A 71 -7.155 2.768 5.868 1.00 0.00 H new ATOM 0 HA SER A 71 -7.448 -0.174 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.318 -0.516 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.255 0.920 3.979 1.00 0.00 H new ATOM 0 HG SER A 71 -5.330 2.169 4.644 1.00 0.00 H new ATOM 1093 N THR A 72 -4.513 1.311 6.550 1.00 0.00 N ATOM 1094 CA THR A 72 -3.266 1.332 7.362 1.00 0.00 C ATOM 1095 C THR A 72 -2.413 2.521 6.922 1.00 0.00 C ATOM 1096 O THR A 72 -1.868 2.535 5.836 1.00 0.00 O ATOM 1097 CB THR A 72 -2.486 0.032 7.147 1.00 0.00 C ATOM 1098 OG1 THR A 72 -3.154 -1.034 7.809 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.074 0.181 7.716 1.00 0.00 C ATOM 0 H THR A 72 -4.472 1.845 5.682 1.00 0.00 H new ATOM 0 HA THR A 72 -3.515 1.424 8.419 1.00 0.00 H new ATOM 0 HB THR A 72 -2.425 -0.182 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.927 -0.682 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.520 -0.745 7.562 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.562 0.999 7.209 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.133 0.396 8.783 1.00 0.00 H new ATOM 1107 N SER A 73 -2.289 3.519 7.752 1.00 0.00 N ATOM 1108 CA SER A 73 -1.468 4.700 7.369 1.00 0.00 C ATOM 1109 C SER A 73 0.005 4.360 7.572 1.00 0.00 C ATOM 1110 O SER A 73 0.615 4.742 8.550 1.00 0.00 O ATOM 1111 CB SER A 73 -1.845 5.893 8.248 1.00 0.00 C ATOM 1112 OG SER A 73 -0.753 6.803 8.298 1.00 0.00 O ATOM 0 H SER A 73 -2.719 3.568 8.676 1.00 0.00 H new ATOM 0 HA SER A 73 -1.649 4.955 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.729 6.389 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.097 5.554 9.253 1.00 0.00 H new ATOM 0 HG SER A 73 0.003 6.382 8.759 1.00 0.00 H new ATOM 1118 N THR A 74 0.578 3.634 6.654 1.00 0.00 N ATOM 1119 CA THR A 74 2.008 3.255 6.792 1.00 0.00 C ATOM 1120 C THR A 74 2.878 4.508 6.794 1.00 0.00 C ATOM 1121 O THR A 74 3.233 5.033 5.757 1.00 0.00 O ATOM 1122 CB THR A 74 2.415 2.359 5.624 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.589 1.204 5.606 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.875 1.943 5.790 1.00 0.00 C ATOM 0 H THR A 74 0.116 3.287 5.814 1.00 0.00 H new ATOM 0 HA THR A 74 2.146 2.718 7.731 1.00 0.00 H new ATOM 0 HB THR A 74 2.298 2.903 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.020 0.485 6.114 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.168 1.303 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.507 2.831 5.805 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.994 1.397 6.726 1.00 0.00 H new ATOM 1132 N THR A 75 3.237 4.985 7.951 1.00 0.00 N ATOM 1133 CA THR A 75 4.099 6.192 8.016 1.00 0.00 C ATOM 1134 C THR A 75 5.539 5.767 7.748 1.00 0.00 C ATOM 1135 O THR A 75 6.349 5.693 8.650 1.00 0.00 O ATOM 1136 CB THR A 75 3.999 6.820 9.408 1.00 0.00 C ATOM 1137 OG1 THR A 75 5.014 7.802 9.557 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.176 5.735 10.471 1.00 0.00 C ATOM 0 H THR A 75 2.970 4.591 8.853 1.00 0.00 H new ATOM 0 HA THR A 75 3.779 6.924 7.275 1.00 0.00 H new ATOM 0 HB THR A 75 3.022 7.287 9.528 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.893 7.371 9.526 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.105 6.182 11.463 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.396 4.982 10.356 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.153 5.267 10.354 1.00 0.00 H new ATOM 1146 N PHE A 76 5.848 5.472 6.509 1.00 0.00 N ATOM 1147 CA PHE A 76 7.228 5.032 6.145 1.00 0.00 C ATOM 1148 C PHE A 76 8.255 5.748 7.035 1.00 0.00 C ATOM 1149 O PHE A 76 8.047 6.878 7.431 1.00 0.00 O ATOM 1150 CB PHE A 76 7.481 5.361 4.671 1.00 0.00 C ATOM 1151 CG PHE A 76 6.915 4.257 3.797 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.546 4.226 3.485 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.765 3.264 3.295 1.00 0.00 C ATOM 1154 CE1 PHE A 76 5.038 3.202 2.673 1.00 0.00 C ATOM 1155 CE2 PHE A 76 7.255 2.244 2.484 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.892 2.213 2.174 1.00 0.00 C ATOM 0 H PHE A 76 5.195 5.518 5.727 1.00 0.00 H new ATOM 0 HA PHE A 76 7.327 3.957 6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.017 6.314 4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.551 5.469 4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.886 4.989 3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.818 3.285 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.985 3.177 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.914 1.481 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.498 1.425 1.549 1.00 0.00 H new ATOM 1166 N PRO A 77 9.321 5.052 7.346 1.00 0.00 N ATOM 1167 CA PRO A 77 10.392 5.574 8.220 1.00 0.00 C ATOM 1168 C PRO A 77 11.283 6.572 7.479 1.00 0.00 C ATOM 1169 O PRO A 77 11.086 6.855 6.317 1.00 0.00 O ATOM 1170 CB PRO A 77 11.189 4.321 8.597 1.00 0.00 C ATOM 1171 CG PRO A 77 10.893 3.269 7.503 1.00 0.00 C ATOM 1172 CD PRO A 77 9.562 3.682 6.849 1.00 0.00 C ATOM 0 HA PRO A 77 9.999 6.113 9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.256 4.540 8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.893 3.953 9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.695 3.240 6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.820 2.271 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.629 3.660 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.754 3.008 7.132 1.00 0.00 H new ATOM 1180 N ALA A 78 12.273 7.097 8.150 1.00 0.00 N ATOM 1181 CA ALA A 78 13.192 8.067 7.493 1.00 0.00 C ATOM 1182 C ALA A 78 14.289 7.296 6.757 1.00 0.00 C ATOM 1183 O ALA A 78 15.269 7.861 6.313 1.00 0.00 O ATOM 1184 CB ALA A 78 13.825 8.972 8.552 1.00 0.00 C ATOM 0 H ALA A 78 12.484 6.894 9.127 1.00 0.00 H new ATOM 0 HA ALA A 78 12.634 8.680 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.497 9.681 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.042 9.516 9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.387 8.364 9.261 1.00 0.00 H new ATOM 1190 N ASP A 79 14.125 6.009 6.619 1.00 0.00 N ATOM 1191 CA ASP A 79 15.149 5.199 5.907 1.00 0.00 C ATOM 1192 C ASP A 79 14.676 4.970 4.472 1.00 0.00 C ATOM 1193 O ASP A 79 15.205 5.546 3.545 1.00 0.00 O ATOM 1194 CB ASP A 79 15.316 3.851 6.614 1.00 0.00 C ATOM 1195 CG ASP A 79 16.357 3.983 7.729 1.00 0.00 C ATOM 1196 OD1 ASP A 79 16.739 5.102 8.027 1.00 0.00 O ATOM 1197 OD2 ASP A 79 16.754 2.961 8.264 1.00 0.00 O ATOM 0 H ASP A 79 13.324 5.484 6.970 1.00 0.00 H new ATOM 0 HA ASP A 79 16.106 5.721 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.362 3.526 7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.628 3.090 5.899 1.00 0.00 H new ATOM 1202 N ALA A 80 13.666 4.151 4.297 1.00 0.00 N ATOM 1203 CA ALA A 80 13.114 3.878 2.929 1.00 0.00 C ATOM 1204 C ALA A 80 14.217 3.963 1.861 1.00 0.00 C ATOM 1205 O ALA A 80 14.555 5.038 1.408 1.00 0.00 O ATOM 1206 CB ALA A 80 12.030 4.909 2.616 1.00 0.00 C ATOM 0 H ALA A 80 13.194 3.654 5.052 1.00 0.00 H new ATOM 0 HA ALA A 80 12.698 2.870 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.623 4.719 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.233 4.835 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.460 5.910 2.646 1.00 0.00 H new ATOM 1212 N PRO A 81 14.738 2.823 1.484 1.00 0.00 N ATOM 1213 CA PRO A 81 15.803 2.738 0.467 1.00 0.00 C ATOM 1214 C PRO A 81 15.226 2.934 -0.940 1.00 0.00 C ATOM 1215 O PRO A 81 14.052 2.732 -1.174 1.00 0.00 O ATOM 1216 CB PRO A 81 16.354 1.319 0.642 1.00 0.00 C ATOM 1217 CG PRO A 81 15.237 0.500 1.331 1.00 0.00 C ATOM 1218 CD PRO A 81 14.314 1.517 2.028 1.00 0.00 C ATOM 0 HA PRO A 81 16.568 3.505 0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.618 0.883 -0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.260 1.326 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.683 -0.090 0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.658 -0.200 2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.265 1.317 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.428 1.481 3.111 1.00 0.00 H new ATOM 1226 N ALA A 82 16.045 3.329 -1.877 1.00 0.00 N ATOM 1227 CA ALA A 82 15.543 3.537 -3.265 1.00 0.00 C ATOM 1228 C ALA A 82 15.210 2.184 -3.895 1.00 0.00 C ATOM 1229 O ALA A 82 15.921 1.214 -3.719 1.00 0.00 O ATOM 1230 CB ALA A 82 16.619 4.236 -4.099 1.00 0.00 C ATOM 0 H ALA A 82 17.038 3.516 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 82 14.646 4.156 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.251 4.388 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.857 5.201 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.516 3.618 -4.127 1.00 0.00 H new ATOM 1236 N GLY A 83 14.134 2.110 -4.628 1.00 0.00 N ATOM 1237 CA GLY A 83 13.756 0.819 -5.268 1.00 0.00 C ATOM 1238 C GLY A 83 12.258 0.822 -5.576 1.00 0.00 C ATOM 1239 O GLY A 83 11.534 1.713 -5.179 1.00 0.00 O ATOM 0 H GLY A 83 13.500 2.888 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.326 0.675 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.001 -0.012 -4.607 1.00 0.00 H new ATOM 1243 N GLU A 84 11.790 -0.167 -6.285 1.00 0.00 N ATOM 1244 CA GLU A 84 10.340 -0.220 -6.623 1.00 0.00 C ATOM 1245 C GLU A 84 9.580 -0.956 -5.517 1.00 0.00 C ATOM 1246 O GLU A 84 9.946 -2.043 -5.115 1.00 0.00 O ATOM 1247 CB GLU A 84 10.146 -0.963 -7.951 1.00 0.00 C ATOM 1248 CG GLU A 84 11.386 -0.785 -8.833 1.00 0.00 C ATOM 1249 CD GLU A 84 11.105 -1.344 -10.230 1.00 0.00 C ATOM 1250 OE1 GLU A 84 10.318 -0.742 -10.941 1.00 0.00 O ATOM 1251 OE2 GLU A 84 11.682 -2.366 -10.564 1.00 0.00 O ATOM 0 H GLU A 84 12.349 -0.941 -6.645 1.00 0.00 H new ATOM 0 HA GLU A 84 9.957 0.796 -6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.972 -2.022 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.265 -0.581 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.650 0.271 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.238 -1.300 -8.389 1.00 0.00 H new ATOM 1258 N TYR A 85 8.518 -0.375 -5.030 1.00 0.00 N ATOM 1259 CA TYR A 85 7.724 -1.040 -3.959 1.00 0.00 C ATOM 1260 C TYR A 85 6.376 -1.460 -4.543 1.00 0.00 C ATOM 1261 O TYR A 85 5.764 -0.726 -5.294 1.00 0.00 O ATOM 1262 CB TYR A 85 7.503 -0.064 -2.802 1.00 0.00 C ATOM 1263 CG TYR A 85 8.830 0.266 -2.165 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.801 0.964 -2.892 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.090 -0.127 -0.847 1.00 0.00 C ATOM 1266 CE1 TYR A 85 11.033 1.270 -2.300 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.321 0.179 -0.255 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.292 0.877 -0.982 1.00 0.00 C ATOM 1269 OH TYR A 85 12.505 1.178 -0.399 1.00 0.00 O ATOM 0 H TYR A 85 8.165 0.534 -5.329 1.00 0.00 H new ATOM 0 HA TYR A 85 8.257 -1.915 -3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.025 0.846 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.832 -0.504 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.600 1.267 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.341 -0.666 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.783 1.809 -2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.521 -0.123 0.762 1.00 0.00 H new ATOM 0 HH TYR A 85 12.968 1.854 -0.937 1.00 0.00 H new ATOM 1279 N THR A 86 5.909 -2.636 -4.225 1.00 0.00 N ATOM 1280 CA THR A 86 4.606 -3.081 -4.792 1.00 0.00 C ATOM 1281 C THR A 86 3.754 -3.759 -3.717 1.00 0.00 C ATOM 1282 O THR A 86 4.103 -4.799 -3.193 1.00 0.00 O ATOM 1283 CB THR A 86 4.864 -4.072 -5.929 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.580 -3.422 -6.971 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.530 -4.588 -6.468 1.00 0.00 C ATOM 0 H THR A 86 6.368 -3.302 -3.603 1.00 0.00 H new ATOM 0 HA THR A 86 4.070 -2.209 -5.167 1.00 0.00 H new ATOM 0 HB THR A 86 5.451 -4.910 -5.555 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.747 -4.057 -7.699 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.713 -5.294 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.983 -5.087 -5.668 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.941 -3.751 -6.843 1.00 0.00 H new ATOM 1293 N PHE A 87 2.625 -3.186 -3.404 1.00 0.00 N ATOM 1294 CA PHE A 87 1.727 -3.795 -2.389 1.00 0.00 C ATOM 1295 C PHE A 87 0.469 -4.302 -3.095 1.00 0.00 C ATOM 1296 O PHE A 87 0.203 -3.946 -4.226 1.00 0.00 O ATOM 1297 CB PHE A 87 1.352 -2.761 -1.326 1.00 0.00 C ATOM 1298 CG PHE A 87 1.369 -1.389 -1.941 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.590 -0.752 -2.176 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.170 -0.762 -2.284 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.615 0.517 -2.756 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.191 0.509 -2.864 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.414 1.151 -3.101 1.00 0.00 C ATOM 0 H PHE A 87 2.285 -2.315 -3.812 1.00 0.00 H new ATOM 0 HA PHE A 87 2.236 -4.623 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.363 -2.979 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.054 -2.808 -0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.515 -1.242 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.772 -1.258 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.559 1.010 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.735 0.997 -3.130 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.431 2.133 -3.549 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.306 -5.136 -2.458 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.527 -5.653 -3.134 1.00 0.00 C ATOM 1315 C TYR A 88 -2.555 -6.122 -2.102 1.00 0.00 C ATOM 1316 O TYR A 88 -2.560 -5.688 -0.967 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.143 -6.827 -4.034 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.679 -7.979 -3.176 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.508 -7.869 -2.443 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.437 -9.154 -3.111 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.938 -8.934 -1.644 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.007 -10.220 -2.312 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.180 -10.110 -1.578 1.00 0.00 C ATOM 1324 OH TYR A 88 0.605 -11.160 -0.790 1.00 0.00 O ATOM 0 H TYR A 88 -0.149 -5.478 -1.510 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.967 -4.852 -3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.996 -7.130 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.352 -6.529 -4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.092 -6.962 -2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.353 -9.238 -3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.854 -8.849 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.591 -11.127 -2.262 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.036 -11.899 -0.856 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.431 -7.003 -2.502 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.475 -7.509 -1.570 1.00 0.00 C ATOM 1336 C CYS A 89 -4.533 -9.035 -1.657 1.00 0.00 C ATOM 1337 O CYS A 89 -4.152 -9.622 -2.651 1.00 0.00 O ATOM 1338 CB CYS A 89 -5.827 -6.930 -1.986 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.813 -6.551 -0.519 1.00 0.00 S ATOM 0 H CYS A 89 -3.467 -7.396 -3.442 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.239 -7.211 -0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.679 -6.027 -2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.358 -7.642 -2.618 1.00 0.00 H new ATOM 0 HG CYS A 89 -8.062 -6.823 -0.754 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.003 -9.686 -0.629 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.077 -11.174 -0.669 1.00 0.00 C ATOM 1346 C GLU A 90 -6.418 -11.637 -1.270 1.00 0.00 C ATOM 1347 O GLU A 90 -6.435 -12.535 -2.088 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.912 -11.742 0.746 1.00 0.00 C ATOM 1349 CG GLU A 90 -5.097 -13.260 0.713 1.00 0.00 C ATOM 1350 CD GLU A 90 -3.792 -13.924 0.271 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -2.751 -13.533 0.773 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -3.855 -14.812 -0.563 1.00 0.00 O ATOM 0 H GLU A 90 -5.337 -9.255 0.233 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.270 -11.544 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.925 -11.494 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.642 -11.291 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.386 -13.623 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.902 -13.524 0.027 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.507 -11.026 -0.853 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.849 -11.388 -1.348 1.00 0.00 C ATOM 1361 C PRO A 91 -9.122 -10.750 -2.717 1.00 0.00 C ATOM 1362 O PRO A 91 -9.443 -11.428 -3.673 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.789 -10.818 -0.284 1.00 0.00 C ATOM 1364 CG PRO A 91 -9.005 -9.697 0.439 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.513 -9.933 0.141 1.00 0.00 C ATOM 0 HA PRO A 91 -8.971 -12.462 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.698 -10.424 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.095 -11.593 0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.319 -8.715 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.194 -9.724 1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.039 -9.034 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.967 -10.212 1.042 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.003 -9.452 -2.819 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.262 -8.779 -4.128 1.00 0.00 C ATOM 1375 C HIS A 92 -7.970 -8.741 -4.948 1.00 0.00 C ATOM 1376 O HIS A 92 -7.727 -7.816 -5.697 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.747 -7.348 -3.881 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.667 -7.338 -2.695 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.182 -7.378 -1.395 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -12.035 -7.334 -2.594 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.253 -7.414 -0.578 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.394 -7.385 -1.260 1.00 0.00 N ATOM 0 H HIS A 92 -8.738 -8.830 -2.055 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.025 -9.334 -4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.897 -6.689 -3.703 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.265 -6.969 -4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.723 -7.297 -3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.192 -7.461 0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.340 -7.398 -0.878 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.136 -9.737 -4.812 1.00 0.00 N ATOM 1391 CA ARG A 93 -5.861 -9.751 -5.584 1.00 0.00 C ATOM 1392 C ARG A 93 -6.168 -9.808 -7.081 1.00 0.00 C ATOM 1393 O ARG A 93 -5.364 -9.419 -7.905 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.035 -10.976 -5.186 1.00 0.00 C ATOM 1395 CG ARG A 93 -5.810 -12.251 -5.527 1.00 0.00 C ATOM 1396 CD ARG A 93 -5.088 -13.461 -4.931 1.00 0.00 C ATOM 1397 NE ARG A 93 -5.609 -14.708 -5.558 1.00 0.00 N ATOM 1398 CZ ARG A 93 -5.886 -15.744 -4.815 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -5.159 -16.007 -3.763 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -6.891 -16.516 -5.123 1.00 0.00 N ATOM 0 H ARG A 93 -7.283 -10.540 -4.201 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.296 -8.845 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.079 -10.968 -5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.814 -10.947 -4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.824 -12.189 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.894 -12.360 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.014 -13.377 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.239 -13.493 -3.852 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.749 -14.752 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.374 -15.402 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.376 -16.817 -3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.460 -16.310 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.108 -17.326 -4.543 1.00 0.00 H new ATOM 1414 N GLY A 94 -7.326 -10.290 -7.441 1.00 0.00 N ATOM 1415 CA GLY A 94 -7.680 -10.370 -8.886 1.00 0.00 C ATOM 1416 C GLY A 94 -8.548 -9.169 -9.266 1.00 0.00 C ATOM 1417 O GLY A 94 -9.075 -9.094 -10.358 1.00 0.00 O ATOM 0 H GLY A 94 -8.041 -10.631 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.775 -10.384 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.215 -11.298 -9.089 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.702 -8.229 -8.374 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.538 -7.036 -8.688 1.00 0.00 C ATOM 1423 C ALA A 95 -8.638 -5.818 -8.899 1.00 0.00 C ATOM 1424 O ALA A 95 -8.988 -4.706 -8.556 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.499 -6.766 -7.529 1.00 0.00 C ATOM 0 H ALA A 95 -8.286 -8.235 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.109 -7.225 -9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.110 -5.893 -7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.144 -7.632 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.928 -6.580 -6.619 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.486 -6.019 -9.472 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.562 -4.875 -9.720 1.00 0.00 C ATOM 1433 C GLY A 96 -6.210 -4.181 -8.401 1.00 0.00 C ATOM 1434 O GLY A 96 -6.052 -2.977 -8.349 1.00 0.00 O ATOM 0 H GLY A 96 -7.142 -6.928 -9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.653 -5.231 -10.205 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.029 -4.163 -10.400 1.00 0.00 H new ATOM 1438 N MET A 97 -6.075 -4.925 -7.337 1.00 0.00 N ATOM 1439 CA MET A 97 -5.722 -4.294 -6.031 1.00 0.00 C ATOM 1440 C MET A 97 -4.207 -4.381 -5.826 1.00 0.00 C ATOM 1441 O MET A 97 -3.729 -5.079 -4.954 1.00 0.00 O ATOM 1442 CB MET A 97 -6.435 -5.029 -4.891 1.00 0.00 C ATOM 1443 CG MET A 97 -7.940 -4.774 -4.980 1.00 0.00 C ATOM 1444 SD MET A 97 -8.573 -4.259 -3.362 1.00 0.00 S ATOM 1445 CE MET A 97 -7.894 -2.582 -3.359 1.00 0.00 C ATOM 0 H MET A 97 -6.193 -5.938 -7.314 1.00 0.00 H new ATOM 0 HA MET A 97 -6.035 -3.250 -6.034 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.233 -6.098 -4.951 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.054 -4.686 -3.929 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.144 -4.003 -5.723 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.452 -5.678 -5.310 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.687 -2.275 -2.334 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.970 -2.563 -3.937 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.615 -1.897 -3.805 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.448 -3.681 -6.627 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.965 -3.730 -6.479 1.00 0.00 C ATOM 1457 C VAL A 98 -1.372 -2.333 -6.689 1.00 0.00 C ATOM 1458 O VAL A 98 -1.323 -1.830 -7.794 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.383 -4.688 -7.520 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.136 -4.762 -7.357 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.985 -6.081 -7.324 1.00 0.00 C ATOM 0 H VAL A 98 -3.790 -3.079 -7.376 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.717 -4.078 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.622 -4.325 -8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.549 -5.445 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.566 -3.770 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.377 -5.124 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.571 -6.764 -8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.747 -6.443 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.067 -6.030 -7.443 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.912 -1.709 -5.639 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.313 -0.355 -5.779 1.00 0.00 C ATOM 1473 C GLY A 99 1.206 -0.461 -5.624 1.00 0.00 C ATOM 1474 O GLY A 99 1.710 -1.375 -5.003 1.00 0.00 O ATOM 0 H GLY A 99 -0.926 -2.081 -4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.563 0.068 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.722 0.317 -5.025 1.00 0.00 H new ATOM 1478 N LYS A 100 1.943 0.460 -6.185 1.00 0.00 N ATOM 1479 CA LYS A 100 3.429 0.391 -6.064 1.00 0.00 C ATOM 1480 C LYS A 100 3.983 1.745 -5.616 1.00 0.00 C ATOM 1481 O LYS A 100 3.602 2.782 -6.121 1.00 0.00 O ATOM 1482 CB LYS A 100 4.036 0.023 -7.422 1.00 0.00 C ATOM 1483 CG LYS A 100 3.561 -1.370 -7.836 1.00 0.00 C ATOM 1484 CD LYS A 100 4.464 -1.912 -8.947 1.00 0.00 C ATOM 1485 CE LYS A 100 4.221 -1.124 -10.237 1.00 0.00 C ATOM 1486 NZ LYS A 100 4.754 -1.896 -11.397 1.00 0.00 N ATOM 0 H LYS A 100 1.584 1.252 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 100 3.689 -0.366 -5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.743 0.756 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.124 0.045 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.580 -2.042 -6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.528 -1.325 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.510 -1.831 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.260 -2.970 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.155 -0.939 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.708 -0.151 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.590 -1.362 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.775 -2.050 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.269 -2.814 -11.455 1.00 0.00 H new ATOM 1500 N ILE A 101 4.894 1.741 -4.681 1.00 0.00 N ATOM 1501 CA ILE A 101 5.486 3.025 -4.214 1.00 0.00 C ATOM 1502 C ILE A 101 6.867 3.189 -4.861 1.00 0.00 C ATOM 1503 O ILE A 101 7.734 2.351 -4.713 1.00 0.00 O ATOM 1504 CB ILE A 101 5.594 3.018 -2.667 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.665 4.103 -2.098 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.039 3.288 -2.211 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.058 4.446 -0.653 1.00 0.00 C ATOM 0 H ILE A 101 5.253 0.904 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 101 4.854 3.864 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 101 5.300 2.035 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.719 4.998 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.632 3.757 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.085 3.277 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.697 2.515 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.360 4.263 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.390 5.216 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.980 3.553 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.084 4.813 -0.632 1.00 0.00 H new ATOM 1519 N THR A 102 7.085 4.267 -5.561 1.00 0.00 N ATOM 1520 CA THR A 102 8.416 4.478 -6.190 1.00 0.00 C ATOM 1521 C THR A 102 9.223 5.416 -5.297 1.00 0.00 C ATOM 1522 O THR A 102 8.938 6.592 -5.195 1.00 0.00 O ATOM 1523 CB THR A 102 8.251 5.101 -7.581 1.00 0.00 C ATOM 1524 OG1 THR A 102 7.047 4.630 -8.169 1.00 0.00 O ATOM 1525 CG2 THR A 102 9.440 4.710 -8.463 1.00 0.00 C ATOM 0 H THR A 102 6.402 5.007 -5.724 1.00 0.00 H new ATOM 0 HA THR A 102 8.930 3.523 -6.299 1.00 0.00 H new ATOM 0 HB THR A 102 8.211 6.187 -7.491 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.939 5.029 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.321 5.154 -9.452 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.363 5.073 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.483 3.625 -8.555 1.00 0.00 H new ATOM 1533 N VAL A 103 10.216 4.900 -4.633 1.00 0.00 N ATOM 1534 CA VAL A 103 11.028 5.754 -3.728 1.00 0.00 C ATOM 1535 C VAL A 103 12.316 6.172 -4.440 1.00 0.00 C ATOM 1536 O VAL A 103 13.302 5.463 -4.434 1.00 0.00 O ATOM 1537 CB VAL A 103 11.360 4.955 -2.463 1.00 0.00 C ATOM 1538 CG1 VAL A 103 12.518 5.616 -1.718 1.00 0.00 C ATOM 1539 CG2 VAL A 103 10.131 4.914 -1.553 1.00 0.00 C ATOM 0 H VAL A 103 10.501 3.922 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 103 10.470 6.650 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 103 11.646 3.942 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 103 12.748 5.042 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.396 5.647 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 103 12.238 6.631 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.364 4.346 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.848 5.930 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.304 4.436 -2.079 1.00 0.00 H new ATOM 1549 N ALA A 104 12.311 7.325 -5.055 1.00 0.00 N ATOM 1550 CA ALA A 104 13.529 7.797 -5.771 1.00 0.00 C ATOM 1551 C ALA A 104 13.286 9.210 -6.308 1.00 0.00 C ATOM 1552 O ALA A 104 12.444 9.935 -5.816 1.00 0.00 O ATOM 1553 CB ALA A 104 13.833 6.855 -6.936 1.00 0.00 C ATOM 0 H ALA A 104 11.514 7.960 -5.092 1.00 0.00 H new ATOM 0 HA ALA A 104 14.375 7.808 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.724 7.200 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.003 5.848 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.988 6.844 -7.625 1.00 0.00 H new