USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 580 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 52 THR OG1 : rot -126:sc= 0.00918! USER MOD Set 1.2: A 54 THR OG1 : rot -68:sc= 0.23 USER MOD Set 2.1: A 2 LYS NZ :NH3+ -138:sc= -0.0411 (180deg=-0.472) USER MOD Set 2.2: A 4 LYS NZ :NH3+ 163:sc= -0.0811 (180deg=-0.525) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0183) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.234 (180deg=0.156) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -9:sc= -0.195 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -0.0946 (180deg=-0.772) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.98) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -5.74! C(o=-5.7!,f=-12!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0736 (180deg=-0.467) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= 0.694 (180deg=-1.54!) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0471 (180deg=-0.537) USER MOD Single : A 45 SER OG : rot 140:sc= 0 USER MOD Single : A 46 MET CE :methyl -155:sc= -0.123 (180deg=-0.942) USER MOD Single : A 48 HIS : no HE2:sc= -0.78 K(o=-0.78,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.248 (180deg=-0.906) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-0.76) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HE2:sc= -3.32! C(o=-3.3!,f=-5.9!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.274 K(o=-0.27,f=-1.1) USER MOD Single : A 74 HIS : no HD1:sc= -0.755 K(o=-0.75,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.795 -2.455 0.651 1.00 0.00 N ATOM 2 CA MET A 1 11.621 -1.323 1.156 1.00 0.00 C ATOM 3 C MET A 1 10.920 -0.007 0.845 1.00 0.00 C ATOM 4 O MET A 1 9.975 0.376 1.502 1.00 0.00 O ATOM 5 CB MET A 1 12.985 -1.337 0.464 1.00 0.00 C ATOM 6 CG MET A 1 13.758 -2.592 0.873 1.00 0.00 C ATOM 7 SD MET A 1 14.133 -2.534 2.644 1.00 0.00 S ATOM 8 CE MET A 1 15.633 -1.526 2.541 1.00 0.00 C ATOM 0 H1 MET A 1 11.264 -3.355 0.878 1.00 0.00 H new ATOM 0 H2 MET A 1 9.858 -2.429 1.102 1.00 0.00 H new ATOM 0 H3 MET A 1 10.685 -2.372 -0.380 1.00 0.00 H new ATOM 0 HA MET A 1 11.754 -1.426 2.233 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.855 -1.315 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.550 -0.445 0.735 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.171 -3.482 0.646 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.682 -2.664 0.299 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.103 -1.471 3.523 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.327 -1.977 1.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.374 -0.522 2.206 1.00 0.00 H new ATOM 20 N LYS A 2 11.389 0.689 -0.154 1.00 0.00 N ATOM 21 CA LYS A 2 10.777 2.001 -0.535 1.00 0.00 C ATOM 22 C LYS A 2 10.045 1.858 -1.865 1.00 0.00 C ATOM 23 O LYS A 2 10.480 1.167 -2.765 1.00 0.00 O ATOM 24 CB LYS A 2 11.881 3.053 -0.664 1.00 0.00 C ATOM 25 CG LYS A 2 11.257 4.407 -1.005 1.00 0.00 C ATOM 26 CD LYS A 2 12.350 5.477 -1.040 1.00 0.00 C ATOM 27 CE LYS A 2 11.728 6.842 -1.350 1.00 0.00 C ATOM 28 NZ LYS A 2 11.064 6.795 -2.683 1.00 0.00 N ATOM 0 H LYS A 2 12.180 0.404 -0.732 1.00 0.00 H new ATOM 0 HA LYS A 2 10.067 2.310 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.442 3.123 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.588 2.760 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.753 4.355 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.501 4.668 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.868 5.512 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.094 5.226 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.003 7.106 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.497 7.614 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.270 7.671 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.422 5.980 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.036 6.701 -2.556 1.00 0.00 H new ATOM 42 N GLY A 3 8.928 2.512 -1.982 1.00 0.00 N ATOM 43 CA GLY A 3 8.132 2.436 -3.239 1.00 0.00 C ATOM 44 C GLY A 3 7.066 3.530 -3.233 1.00 0.00 C ATOM 45 O GLY A 3 7.026 4.366 -2.352 1.00 0.00 O ATOM 0 H GLY A 3 8.526 3.103 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.785 2.554 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.662 1.456 -3.326 1.00 0.00 H new ATOM 49 N LYS A 4 6.209 3.529 -4.216 1.00 0.00 N ATOM 50 CA LYS A 4 5.133 4.569 -4.292 1.00 0.00 C ATOM 51 C LYS A 4 3.790 3.911 -4.592 1.00 0.00 C ATOM 52 O LYS A 4 3.691 2.972 -5.358 1.00 0.00 O ATOM 53 CB LYS A 4 5.472 5.566 -5.401 1.00 0.00 C ATOM 54 CG LYS A 4 6.729 6.347 -5.009 1.00 0.00 C ATOM 55 CD LYS A 4 7.094 7.331 -6.121 1.00 0.00 C ATOM 56 CE LYS A 4 8.315 8.154 -5.697 1.00 0.00 C ATOM 57 NZ LYS A 4 9.472 7.244 -5.466 1.00 0.00 N ATOM 0 H LYS A 4 6.204 2.850 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 4 5.068 5.089 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.635 5.040 -6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.638 6.250 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.558 6.885 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.556 5.659 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.309 6.791 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.252 7.991 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.561 8.883 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.092 8.714 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.353 7.797 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.360 6.766 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.511 6.533 -6.224 1.00 0.00 H new ATOM 71 N VAL A 5 2.757 4.416 -3.984 1.00 0.00 N ATOM 72 CA VAL A 5 1.394 3.857 -4.202 1.00 0.00 C ATOM 73 C VAL A 5 0.815 4.445 -5.492 1.00 0.00 C ATOM 74 O VAL A 5 0.546 5.624 -5.594 1.00 0.00 O ATOM 75 CB VAL A 5 0.502 4.222 -2.994 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.747 5.688 -2.561 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.973 4.023 -3.364 1.00 0.00 C ATOM 0 H VAL A 5 2.798 5.203 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 5 1.438 2.772 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 5 0.756 3.569 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.110 5.927 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.792 5.814 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.511 6.356 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.600 4.281 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.226 4.665 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.142 2.981 -3.637 1.00 0.00 H new ATOM 87 N VAL A 6 0.619 3.617 -6.476 1.00 0.00 N ATOM 88 CA VAL A 6 0.051 4.095 -7.768 1.00 0.00 C ATOM 89 C VAL A 6 -1.464 4.225 -7.639 1.00 0.00 C ATOM 90 O VAL A 6 -2.065 5.140 -8.168 1.00 0.00 O ATOM 91 CB VAL A 6 0.397 3.094 -8.878 1.00 0.00 C ATOM 92 CG1 VAL A 6 -0.151 1.703 -8.533 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.216 3.569 -10.194 1.00 0.00 C ATOM 0 H VAL A 6 0.829 2.620 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 6 0.474 5.068 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 6 1.481 3.031 -8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.103 1.004 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.289 1.361 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.235 1.755 -8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.028 2.860 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.299 3.636 -10.088 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.185 4.550 -10.449 1.00 0.00 H new ATOM 103 N SER A 7 -2.088 3.313 -6.944 1.00 0.00 N ATOM 104 CA SER A 7 -3.567 3.385 -6.787 1.00 0.00 C ATOM 105 C SER A 7 -4.015 2.529 -5.601 1.00 0.00 C ATOM 106 O SER A 7 -3.303 1.666 -5.128 1.00 0.00 O ATOM 107 CB SER A 7 -4.248 2.884 -8.065 1.00 0.00 C ATOM 108 OG SER A 7 -3.958 1.504 -8.251 1.00 0.00 O ATOM 0 H SER A 7 -1.638 2.524 -6.480 1.00 0.00 H new ATOM 0 HA SER A 7 -3.851 4.422 -6.605 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.326 3.034 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.900 3.458 -8.924 1.00 0.00 H new ATOM 0 HG SER A 7 -4.396 1.185 -9.068 1.00 0.00 H new ATOM 114 N TYR A 8 -5.206 2.769 -5.135 1.00 0.00 N ATOM 115 CA TYR A 8 -5.756 1.993 -3.986 1.00 0.00 C ATOM 116 C TYR A 8 -7.280 1.984 -4.087 1.00 0.00 C ATOM 117 O TYR A 8 -7.938 2.988 -3.901 1.00 0.00 O ATOM 118 CB TYR A 8 -5.323 2.631 -2.661 1.00 0.00 C ATOM 119 CG TYR A 8 -6.134 2.042 -1.524 1.00 0.00 C ATOM 120 CD1 TYR A 8 -6.070 0.667 -1.262 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.955 2.865 -0.742 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.823 0.118 -0.217 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.707 2.314 0.302 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.641 0.941 0.565 1.00 0.00 C ATOM 125 OH TYR A 8 -8.382 0.400 1.596 1.00 0.00 O ATOM 0 H TYR A 8 -5.834 3.482 -5.506 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.376 0.972 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.260 2.456 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.466 3.711 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.440 0.031 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.008 3.924 -0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.772 -0.942 -0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.339 2.949 0.905 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.341 -0.578 1.550 1.00 0.00 H new ATOM 135 N LEU A 9 -7.836 0.845 -4.394 1.00 0.00 N ATOM 136 CA LEU A 9 -9.318 0.727 -4.530 1.00 0.00 C ATOM 137 C LEU A 9 -9.904 0.126 -3.256 1.00 0.00 C ATOM 138 O LEU A 9 -9.778 -1.049 -2.982 1.00 0.00 O ATOM 139 CB LEU A 9 -9.637 -0.167 -5.743 1.00 0.00 C ATOM 140 CG LEU A 9 -9.559 0.665 -7.037 1.00 0.00 C ATOM 141 CD1 LEU A 9 -10.734 1.670 -7.094 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.225 1.430 -7.087 1.00 0.00 C ATOM 0 H LEU A 9 -7.322 -0.020 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.760 1.712 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.932 -0.997 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.632 -0.599 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.622 -0.008 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.670 2.253 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.679 1.127 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.683 2.339 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.176 2.016 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.155 2.096 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.398 0.721 -7.065 1.00 0.00 H new ATOM 154 N ALA A 10 -10.551 0.952 -2.483 1.00 0.00 N ATOM 155 CA ALA A 10 -11.178 0.492 -1.210 1.00 0.00 C ATOM 156 C ALA A 10 -12.356 -0.434 -1.524 1.00 0.00 C ATOM 157 O ALA A 10 -12.602 -1.402 -0.832 1.00 0.00 O ATOM 158 CB ALA A 10 -11.689 1.713 -0.437 1.00 0.00 C ATOM 0 H ALA A 10 -10.675 1.945 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.442 -0.047 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.149 1.387 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.855 2.379 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.427 2.243 -1.040 1.00 0.00 H new ATOM 164 N ALA A 11 -13.086 -0.127 -2.562 1.00 0.00 N ATOM 165 CA ALA A 11 -14.264 -0.961 -2.948 1.00 0.00 C ATOM 166 C ALA A 11 -13.805 -2.369 -3.325 1.00 0.00 C ATOM 167 O ALA A 11 -14.485 -3.344 -3.079 1.00 0.00 O ATOM 168 CB ALA A 11 -14.955 -0.319 -4.156 1.00 0.00 C ATOM 0 H ALA A 11 -12.915 0.676 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.955 -1.021 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.816 -0.921 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.286 0.686 -3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.255 -0.264 -4.989 1.00 0.00 H new ATOM 174 N LYS A 12 -12.655 -2.478 -3.931 1.00 0.00 N ATOM 175 CA LYS A 12 -12.138 -3.819 -4.341 1.00 0.00 C ATOM 176 C LYS A 12 -11.319 -4.409 -3.193 1.00 0.00 C ATOM 177 O LYS A 12 -10.861 -5.531 -3.259 1.00 0.00 O ATOM 178 CB LYS A 12 -11.249 -3.658 -5.580 1.00 0.00 C ATOM 179 CG LYS A 12 -12.110 -3.228 -6.771 1.00 0.00 C ATOM 180 CD LYS A 12 -11.223 -3.035 -8.003 1.00 0.00 C ATOM 181 CE LYS A 12 -12.086 -2.613 -9.195 1.00 0.00 C ATOM 182 NZ LYS A 12 -11.220 -2.428 -10.394 1.00 0.00 N ATOM 0 H LYS A 12 -12.046 -1.693 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.969 -4.484 -4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.474 -2.916 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.743 -4.598 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.871 -3.981 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.633 -2.301 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.465 -2.277 -7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.695 -3.961 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.845 -3.370 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.612 -1.686 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.806 -2.141 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.512 -1.691 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.737 -3.322 -10.615 1.00 0.00 H new ATOM 196 N LYS A 13 -11.141 -3.647 -2.140 1.00 0.00 N ATOM 197 CA LYS A 13 -10.357 -4.120 -0.957 1.00 0.00 C ATOM 198 C LYS A 13 -8.881 -4.230 -1.337 1.00 0.00 C ATOM 199 O LYS A 13 -8.019 -4.324 -0.487 1.00 0.00 O ATOM 200 CB LYS A 13 -10.905 -5.498 -0.480 1.00 0.00 C ATOM 201 CG LYS A 13 -9.869 -6.618 -0.689 1.00 0.00 C ATOM 202 CD LYS A 13 -10.487 -7.958 -0.363 1.00 0.00 C ATOM 203 CE LYS A 13 -9.437 -9.047 -0.575 1.00 0.00 C ATOM 204 NZ LYS A 13 -8.282 -8.811 0.336 1.00 0.00 N ATOM 0 H LYS A 13 -11.513 -2.701 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.457 -3.406 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.172 -5.440 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.817 -5.737 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.517 -6.612 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.000 -6.444 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.841 -7.970 0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.353 -8.139 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.871 -10.028 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.101 -9.046 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.752 -9.697 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.657 -8.089 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.630 -8.482 1.259 1.00 0.00 H new ATOM 218 N TYR A 14 -8.591 -4.264 -2.607 1.00 0.00 N ATOM 219 CA TYR A 14 -7.173 -4.412 -3.052 1.00 0.00 C ATOM 220 C TYR A 14 -6.875 -3.385 -4.129 1.00 0.00 C ATOM 221 O TYR A 14 -7.759 -2.871 -4.783 1.00 0.00 O ATOM 222 CB TYR A 14 -6.943 -5.825 -3.616 1.00 0.00 C ATOM 223 CG TYR A 14 -7.736 -6.023 -4.893 1.00 0.00 C ATOM 224 CD1 TYR A 14 -7.270 -5.480 -6.099 1.00 0.00 C ATOM 225 CD2 TYR A 14 -8.934 -6.750 -4.874 1.00 0.00 C ATOM 226 CE1 TYR A 14 -8.000 -5.661 -7.278 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.664 -6.930 -6.055 1.00 0.00 C ATOM 228 CZ TYR A 14 -9.197 -6.385 -7.257 1.00 0.00 C ATOM 229 OH TYR A 14 -9.918 -6.561 -8.421 1.00 0.00 O ATOM 0 H TYR A 14 -9.275 -4.196 -3.360 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.512 -4.256 -2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.882 -5.976 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.239 -6.570 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.346 -4.921 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.294 -7.172 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.639 -5.242 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.588 -7.489 -6.039 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.722 -7.088 -8.231 1.00 0.00 H new ATOM 239 N GLY A 15 -5.624 -3.082 -4.308 1.00 0.00 N ATOM 240 CA GLY A 15 -5.222 -2.075 -5.332 1.00 0.00 C ATOM 241 C GLY A 15 -3.873 -2.454 -5.933 1.00 0.00 C ATOM 242 O GLY A 15 -3.603 -3.604 -6.219 1.00 0.00 O ATOM 0 H GLY A 15 -4.851 -3.492 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.977 -2.020 -6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.162 -1.086 -4.878 1.00 0.00 H new ATOM 246 N PHE A 16 -3.028 -1.482 -6.135 1.00 0.00 N ATOM 247 CA PHE A 16 -1.687 -1.757 -6.730 1.00 0.00 C ATOM 248 C PHE A 16 -0.660 -0.763 -6.196 1.00 0.00 C ATOM 249 O PHE A 16 -0.973 0.362 -5.852 1.00 0.00 O ATOM 250 CB PHE A 16 -1.777 -1.623 -8.250 1.00 0.00 C ATOM 251 CG PHE A 16 -2.617 -2.751 -8.799 1.00 0.00 C ATOM 252 CD1 PHE A 16 -2.019 -3.979 -9.104 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.990 -2.571 -9.001 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.792 -5.028 -9.612 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.765 -3.621 -9.510 1.00 0.00 C ATOM 256 CZ PHE A 16 -4.166 -4.849 -9.815 1.00 0.00 C ATOM 0 H PHE A 16 -3.208 -0.503 -5.913 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.376 -2.767 -6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.218 -0.662 -8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.780 -1.649 -8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.959 -4.117 -8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.452 -1.624 -8.765 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.330 -5.975 -9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.825 -3.483 -9.667 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.764 -5.659 -10.207 1.00 0.00 H new ATOM 266 N ILE A 17 0.574 -1.183 -6.140 1.00 0.00 N ATOM 267 CA ILE A 17 1.673 -0.298 -5.644 1.00 0.00 C ATOM 268 C ILE A 17 2.855 -0.377 -6.605 1.00 0.00 C ATOM 269 O ILE A 17 3.269 -1.441 -7.016 1.00 0.00 O ATOM 270 CB ILE A 17 2.118 -0.757 -4.255 1.00 0.00 C ATOM 271 CG1 ILE A 17 0.968 -0.557 -3.261 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.325 0.071 -3.815 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.308 -1.234 -1.928 1.00 0.00 C ATOM 0 H ILE A 17 0.875 -2.116 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 17 1.313 0.729 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 17 2.391 -1.812 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.792 0.507 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.047 -0.976 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.647 -0.252 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.140 -0.069 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.050 1.125 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.487 -1.088 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.461 -2.301 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.218 -0.795 -1.518 1.00 0.00 H new ATOM 285 N GLN A 18 3.399 0.754 -6.963 1.00 0.00 N ATOM 286 CA GLN A 18 4.563 0.780 -7.904 1.00 0.00 C ATOM 287 C GLN A 18 5.850 1.044 -7.119 1.00 0.00 C ATOM 288 O GLN A 18 6.028 2.077 -6.505 1.00 0.00 O ATOM 289 CB GLN A 18 4.350 1.889 -8.940 1.00 0.00 C ATOM 290 CG GLN A 18 5.457 1.820 -9.995 1.00 0.00 C ATOM 291 CD GLN A 18 5.316 0.526 -10.801 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.222 0.112 -11.128 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.389 -0.141 -11.129 1.00 0.00 N ATOM 0 H GLN A 18 3.086 1.671 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 18 4.646 -0.180 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.374 1.777 -9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.358 2.864 -8.452 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.396 2.683 -10.659 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.435 1.857 -9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.308 0.205 -10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.308 -1.009 -11.659 1.00 0.00 H new ATOM 302 N GLY A 19 6.741 0.095 -7.143 1.00 0.00 N ATOM 303 CA GLY A 19 8.034 0.226 -6.407 1.00 0.00 C ATOM 304 C GLY A 19 8.984 1.180 -7.132 1.00 0.00 C ATOM 305 O GLY A 19 8.842 1.457 -8.306 1.00 0.00 O ATOM 0 H GLY A 19 6.628 -0.783 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.846 0.592 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.502 -0.754 -6.309 1.00 0.00 H new ATOM 309 N ASP A 20 9.957 1.681 -6.419 1.00 0.00 N ATOM 310 CA ASP A 20 10.947 2.626 -7.016 1.00 0.00 C ATOM 311 C ASP A 20 11.830 1.886 -8.029 1.00 0.00 C ATOM 312 O ASP A 20 12.376 2.481 -8.939 1.00 0.00 O ATOM 313 CB ASP A 20 11.826 3.228 -5.907 1.00 0.00 C ATOM 314 CG ASP A 20 12.516 2.122 -5.096 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.222 0.962 -5.327 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.330 2.464 -4.251 1.00 0.00 O ATOM 0 H ASP A 20 10.110 1.472 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 20 10.411 3.427 -7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.577 3.884 -6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.215 3.842 -5.246 1.00 0.00 H new ATOM 321 N ASP A 21 11.972 0.594 -7.877 1.00 0.00 N ATOM 322 CA ASP A 21 12.819 -0.201 -8.827 1.00 0.00 C ATOM 323 C ASP A 21 11.947 -0.722 -9.970 1.00 0.00 C ATOM 324 O ASP A 21 12.387 -1.495 -10.796 1.00 0.00 O ATOM 325 CB ASP A 21 13.451 -1.387 -8.087 1.00 0.00 C ATOM 326 CG ASP A 21 14.486 -0.876 -7.082 1.00 0.00 C ATOM 327 OD1 ASP A 21 14.905 0.262 -7.222 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.850 -1.633 -6.199 1.00 0.00 O ATOM 0 H ASP A 21 11.536 0.050 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 21 13.607 0.436 -9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.680 -1.958 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.925 -2.062 -8.800 1.00 0.00 H new ATOM 333 N GLY A 22 10.713 -0.301 -10.018 1.00 0.00 N ATOM 334 CA GLY A 22 9.797 -0.760 -11.104 1.00 0.00 C ATOM 335 C GLY A 22 9.137 -2.075 -10.697 1.00 0.00 C ATOM 336 O GLY A 22 8.510 -2.741 -11.495 1.00 0.00 O ATOM 0 H GLY A 22 10.296 0.345 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.036 -0.004 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.354 -0.893 -12.031 1.00 0.00 H new ATOM 340 N GLU A 23 9.277 -2.455 -9.454 1.00 0.00 N ATOM 341 CA GLU A 23 8.665 -3.737 -8.976 1.00 0.00 C ATOM 342 C GLU A 23 7.273 -3.474 -8.404 1.00 0.00 C ATOM 343 O GLU A 23 7.105 -2.790 -7.414 1.00 0.00 O ATOM 344 CB GLU A 23 9.562 -4.351 -7.894 1.00 0.00 C ATOM 345 CG GLU A 23 10.904 -4.772 -8.506 1.00 0.00 C ATOM 346 CD GLU A 23 10.678 -5.879 -9.541 1.00 0.00 C ATOM 347 OE1 GLU A 23 9.649 -6.530 -9.469 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.538 -6.055 -10.388 1.00 0.00 O ATOM 0 H GLU A 23 9.790 -1.933 -8.744 1.00 0.00 H new ATOM 0 HA GLU A 23 8.575 -4.428 -9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.728 -3.629 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.069 -5.215 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.385 -3.914 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.576 -5.125 -7.724 1.00 0.00 H new ATOM 355 N SER A 24 6.277 -4.025 -9.035 1.00 0.00 N ATOM 356 CA SER A 24 4.874 -3.834 -8.566 1.00 0.00 C ATOM 357 C SER A 24 4.573 -4.791 -7.417 1.00 0.00 C ATOM 358 O SER A 24 5.093 -5.886 -7.348 1.00 0.00 O ATOM 359 CB SER A 24 3.913 -4.111 -9.725 1.00 0.00 C ATOM 360 OG SER A 24 4.007 -5.480 -10.106 1.00 0.00 O ATOM 0 H SER A 24 6.374 -4.607 -9.867 1.00 0.00 H new ATOM 0 HA SER A 24 4.748 -2.809 -8.218 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.891 -3.875 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.155 -3.470 -10.573 1.00 0.00 H new ATOM 0 HG SER A 24 3.390 -5.656 -10.847 1.00 0.00 H new ATOM 366 N TYR A 25 3.728 -4.375 -6.514 1.00 0.00 N ATOM 367 CA TYR A 25 3.365 -5.239 -5.346 1.00 0.00 C ATOM 368 C TYR A 25 1.851 -5.222 -5.133 1.00 0.00 C ATOM 369 O TYR A 25 1.206 -4.194 -5.201 1.00 0.00 O ATOM 370 CB TYR A 25 4.063 -4.713 -4.092 1.00 0.00 C ATOM 371 CG TYR A 25 5.560 -4.839 -4.262 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.204 -6.035 -3.923 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.304 -3.760 -4.756 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.589 -6.154 -4.078 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.690 -3.879 -4.912 1.00 0.00 C ATOM 376 CZ TYR A 25 8.333 -5.077 -4.572 1.00 0.00 C ATOM 377 OH TYR A 25 9.699 -5.194 -4.725 1.00 0.00 O ATOM 0 H TYR A 25 3.267 -3.465 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 25 3.685 -6.262 -5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.791 -3.671 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.736 -5.275 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.631 -6.867 -3.541 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.808 -2.836 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.084 -7.077 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.264 -3.048 -5.294 1.00 0.00 H new ATOM 0 HH TYR A 25 10.061 -4.355 -5.080 1.00 0.00 H new ATOM 387 N PHE A 26 1.291 -6.368 -4.874 1.00 0.00 N ATOM 388 CA PHE A 26 -0.181 -6.472 -4.650 1.00 0.00 C ATOM 389 C PHE A 26 -0.541 -5.896 -3.290 1.00 0.00 C ATOM 390 O PHE A 26 0.154 -6.091 -2.313 1.00 0.00 O ATOM 391 CB PHE A 26 -0.594 -7.949 -4.705 1.00 0.00 C ATOM 392 CG PHE A 26 -0.669 -8.394 -6.147 1.00 0.00 C ATOM 393 CD1 PHE A 26 0.500 -8.723 -6.843 1.00 0.00 C ATOM 394 CD2 PHE A 26 -1.911 -8.472 -6.786 1.00 0.00 C ATOM 395 CE1 PHE A 26 0.424 -9.134 -8.179 1.00 0.00 C ATOM 396 CE2 PHE A 26 -1.986 -8.882 -8.121 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.819 -9.212 -8.818 1.00 0.00 C ATOM 0 H PHE A 26 1.796 -7.252 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.705 -5.911 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.126 -8.560 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.560 -8.087 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.459 -8.660 -6.350 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.812 -8.216 -6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.325 -9.391 -8.717 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.945 -8.944 -8.614 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.877 -9.527 -9.849 1.00 0.00 H new ATOM 407 N LEU A 27 -1.632 -5.181 -3.227 1.00 0.00 N ATOM 408 CA LEU A 27 -2.067 -4.569 -1.936 1.00 0.00 C ATOM 409 C LEU A 27 -3.373 -5.208 -1.480 1.00 0.00 C ATOM 410 O LEU A 27 -4.375 -5.167 -2.159 1.00 0.00 O ATOM 411 CB LEU A 27 -2.275 -3.064 -2.142 1.00 0.00 C ATOM 412 CG LEU A 27 -2.298 -2.358 -0.776 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.271 -0.842 -0.979 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.563 -2.756 0.014 1.00 0.00 C ATOM 0 H LEU A 27 -2.246 -4.993 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.304 -4.735 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.475 -2.657 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.210 -2.884 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.420 -2.664 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.287 -0.345 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.364 -0.563 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.143 -0.537 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.564 -2.248 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.450 -2.467 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.569 -3.834 0.172 1.00 0.00 H new ATOM 426 N HIS A 28 -3.349 -5.799 -0.321 1.00 0.00 N ATOM 427 CA HIS A 28 -4.573 -6.459 0.233 1.00 0.00 C ATOM 428 C HIS A 28 -4.683 -6.138 1.730 1.00 0.00 C ATOM 429 O HIS A 28 -3.741 -5.707 2.364 1.00 0.00 O ATOM 430 CB HIS A 28 -4.480 -7.993 0.025 1.00 0.00 C ATOM 431 CG HIS A 28 -3.191 -8.338 -0.672 1.00 0.00 C ATOM 432 ND1 HIS A 28 -1.966 -7.867 -0.232 1.00 0.00 N ATOM 433 CD2 HIS A 28 -2.926 -9.106 -1.775 1.00 0.00 C ATOM 434 CE1 HIS A 28 -1.022 -8.356 -1.062 1.00 0.00 C ATOM 435 NE2 HIS A 28 -1.557 -9.117 -2.021 1.00 0.00 N ATOM 0 H HIS A 28 -2.525 -5.856 0.278 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.458 -6.087 -0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.531 -8.503 0.987 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.327 -8.341 -0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.668 -9.624 -2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.035 -8.157 -0.964 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -1.067 -9.602 -2.772 1.00 0.00 H new ATOM 443 N PHE A 29 -5.842 -6.342 2.278 1.00 0.00 N ATOM 444 CA PHE A 29 -6.073 -6.055 3.724 1.00 0.00 C ATOM 445 C PHE A 29 -5.245 -7.013 4.580 1.00 0.00 C ATOM 446 O PHE A 29 -4.764 -6.654 5.638 1.00 0.00 O ATOM 447 CB PHE A 29 -7.570 -6.231 4.045 1.00 0.00 C ATOM 448 CG PHE A 29 -8.327 -4.976 3.665 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.083 -4.347 2.435 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.270 -4.434 4.551 1.00 0.00 C ATOM 451 CE1 PHE A 29 -8.777 -3.184 2.095 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.962 -3.267 4.208 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.715 -2.644 2.979 1.00 0.00 C ATOM 0 H PHE A 29 -6.656 -6.702 1.780 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.771 -5.031 3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.970 -7.087 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.702 -6.439 5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.358 -4.762 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.462 -4.917 5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.589 -2.701 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.686 -2.847 4.891 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.250 -1.744 2.714 1.00 0.00 H new ATOM 463 N SER A 30 -5.086 -8.225 4.137 1.00 0.00 N ATOM 464 CA SER A 30 -4.299 -9.219 4.923 1.00 0.00 C ATOM 465 C SER A 30 -2.890 -8.679 5.156 1.00 0.00 C ATOM 466 O SER A 30 -2.173 -9.140 6.021 1.00 0.00 O ATOM 467 CB SER A 30 -4.214 -10.535 4.147 1.00 0.00 C ATOM 468 OG SER A 30 -3.532 -11.500 4.932 1.00 0.00 O ATOM 0 H SER A 30 -5.469 -8.575 3.259 1.00 0.00 H new ATOM 0 HA SER A 30 -4.789 -9.393 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.215 -10.891 3.901 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.690 -10.381 3.204 1.00 0.00 H new ATOM 0 HG SER A 30 -3.478 -12.344 4.438 1.00 0.00 H new ATOM 474 N GLU A 31 -2.489 -7.705 4.387 1.00 0.00 N ATOM 475 CA GLU A 31 -1.123 -7.124 4.555 1.00 0.00 C ATOM 476 C GLU A 31 -1.211 -5.903 5.471 1.00 0.00 C ATOM 477 O GLU A 31 -0.211 -5.370 5.906 1.00 0.00 O ATOM 478 CB GLU A 31 -0.592 -6.698 3.182 1.00 0.00 C ATOM 479 CG GLU A 31 -0.445 -7.929 2.279 1.00 0.00 C ATOM 480 CD GLU A 31 0.591 -8.889 2.868 1.00 0.00 C ATOM 481 OE1 GLU A 31 1.688 -8.442 3.160 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.270 -10.056 3.016 1.00 0.00 O ATOM 0 H GLU A 31 -3.049 -7.283 3.646 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.452 -7.862 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.273 -5.979 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.371 -6.199 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.406 -8.434 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.141 -7.622 1.278 1.00 0.00 H new ATOM 489 N LEU A 32 -2.404 -5.463 5.772 1.00 0.00 N ATOM 490 CA LEU A 32 -2.570 -4.277 6.669 1.00 0.00 C ATOM 491 C LEU A 32 -2.608 -4.737 8.124 1.00 0.00 C ATOM 492 O LEU A 32 -3.529 -5.395 8.566 1.00 0.00 O ATOM 493 CB LEU A 32 -3.873 -3.545 6.318 1.00 0.00 C ATOM 494 CG LEU A 32 -3.823 -3.078 4.854 1.00 0.00 C ATOM 495 CD1 LEU A 32 -5.135 -2.365 4.496 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.641 -2.110 4.654 1.00 0.00 C ATOM 0 H LEU A 32 -3.275 -5.874 5.435 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.729 -3.597 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.726 -4.206 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.011 -2.689 6.979 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.691 -3.945 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.098 -2.035 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.971 -3.052 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.269 -1.501 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.611 -1.783 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.766 -1.244 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.709 -2.618 4.902 1.00 0.00 H new ATOM 508 N LEU A 33 -1.593 -4.390 8.864 1.00 0.00 N ATOM 509 CA LEU A 33 -1.519 -4.782 10.300 1.00 0.00 C ATOM 510 C LEU A 33 -2.669 -4.139 11.067 1.00 0.00 C ATOM 511 O LEU A 33 -3.280 -4.758 11.913 1.00 0.00 O ATOM 512 CB LEU A 33 -0.181 -4.302 10.885 1.00 0.00 C ATOM 513 CG LEU A 33 0.946 -5.271 10.494 1.00 0.00 C ATOM 514 CD1 LEU A 33 0.779 -6.613 11.236 1.00 0.00 C ATOM 515 CD2 LEU A 33 0.920 -5.517 8.976 1.00 0.00 C ATOM 0 H LEU A 33 -0.799 -3.843 8.530 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.591 -5.866 10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.046 -3.301 10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.253 -4.235 11.971 1.00 0.00 H new ATOM 0 HG LEU A 33 1.901 -4.827 10.774 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.584 -7.290 10.950 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.815 -6.441 12.312 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.180 -7.058 10.972 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.721 -6.205 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.040 -5.949 8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.060 -4.572 8.452 1.00 0.00 H new ATOM 527 N ASP A 34 -2.961 -2.898 10.782 1.00 0.00 N ATOM 528 CA ASP A 34 -4.076 -2.190 11.490 1.00 0.00 C ATOM 529 C ASP A 34 -5.007 -1.566 10.456 1.00 0.00 C ATOM 530 O ASP A 34 -4.687 -0.574 9.828 1.00 0.00 O ATOM 531 CB ASP A 34 -3.508 -1.091 12.394 1.00 0.00 C ATOM 532 CG ASP A 34 -2.813 -1.718 13.606 1.00 0.00 C ATOM 533 OD1 ASP A 34 -2.921 -2.922 13.774 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.186 -0.980 14.349 1.00 0.00 O ATOM 0 H ASP A 34 -2.473 -2.337 10.084 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.627 -2.904 12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.801 -0.478 11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.309 -0.431 12.725 1.00 0.00 H new ATOM 539 N LYS A 35 -6.162 -2.137 10.284 1.00 0.00 N ATOM 540 CA LYS A 35 -7.141 -1.594 9.298 1.00 0.00 C ATOM 541 C LYS A 35 -7.401 -0.118 9.610 1.00 0.00 C ATOM 542 O LYS A 35 -8.072 0.573 8.872 1.00 0.00 O ATOM 543 CB LYS A 35 -8.455 -2.375 9.405 1.00 0.00 C ATOM 544 CG LYS A 35 -8.243 -3.808 8.903 1.00 0.00 C ATOM 545 CD LYS A 35 -9.593 -4.530 8.810 1.00 0.00 C ATOM 546 CE LYS A 35 -10.152 -4.783 10.213 1.00 0.00 C ATOM 547 NZ LYS A 35 -11.249 -5.787 10.135 1.00 0.00 N ATOM 0 H LYS A 35 -6.476 -2.966 10.788 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.740 -1.692 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.799 -2.388 10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.231 -1.884 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.760 -3.793 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.578 -4.346 9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.296 -3.930 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.473 -5.476 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.362 -5.142 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.525 -3.853 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.630 -5.960 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.006 -5.427 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.878 -6.676 9.744 1.00 0.00 H new ATOM 561 N LYS A 36 -6.871 0.364 10.700 1.00 0.00 N ATOM 562 CA LYS A 36 -7.068 1.795 11.074 1.00 0.00 C ATOM 563 C LYS A 36 -6.403 2.696 10.027 1.00 0.00 C ATOM 564 O LYS A 36 -6.909 3.747 9.685 1.00 0.00 O ATOM 565 CB LYS A 36 -6.442 2.057 12.450 1.00 0.00 C ATOM 566 CG LYS A 36 -7.233 1.306 13.527 1.00 0.00 C ATOM 567 CD LYS A 36 -6.610 1.561 14.904 1.00 0.00 C ATOM 568 CE LYS A 36 -7.366 0.765 15.972 1.00 0.00 C ATOM 569 NZ LYS A 36 -8.789 1.207 16.013 1.00 0.00 N ATOM 0 H LYS A 36 -6.305 -0.176 11.354 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.135 2.015 11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.402 1.731 12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.443 3.126 12.663 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.273 1.634 13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.235 0.238 13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.559 1.271 14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.645 2.625 15.138 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.312 -0.301 15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.901 0.912 16.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.234 0.863 16.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.831 2.246 15.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.296 0.821 15.191 1.00 0.00 H new ATOM 583 N ASP A 37 -5.266 2.291 9.526 1.00 0.00 N ATOM 584 CA ASP A 37 -4.549 3.112 8.502 1.00 0.00 C ATOM 585 C ASP A 37 -5.300 3.038 7.170 1.00 0.00 C ATOM 586 O ASP A 37 -4.979 3.727 6.223 1.00 0.00 O ATOM 587 CB ASP A 37 -3.126 2.566 8.316 1.00 0.00 C ATOM 588 CG ASP A 37 -2.279 2.894 9.549 1.00 0.00 C ATOM 589 OD1 ASP A 37 -2.702 3.730 10.328 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.217 2.308 9.686 1.00 0.00 O ATOM 0 H ASP A 37 -4.799 1.421 9.783 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.502 4.149 8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.158 1.487 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.673 3.002 7.426 1.00 0.00 H new ATOM 595 N GLU A 38 -6.294 2.196 7.098 1.00 0.00 N ATOM 596 CA GLU A 38 -7.083 2.049 5.838 1.00 0.00 C ATOM 597 C GLU A 38 -7.660 3.408 5.431 1.00 0.00 C ATOM 598 O GLU A 38 -7.618 3.794 4.279 1.00 0.00 O ATOM 599 CB GLU A 38 -8.243 1.074 6.086 1.00 0.00 C ATOM 600 CG GLU A 38 -9.022 0.851 4.786 1.00 0.00 C ATOM 601 CD GLU A 38 -10.181 -0.120 5.028 1.00 0.00 C ATOM 602 OE1 GLU A 38 -10.156 -0.811 6.033 1.00 0.00 O ATOM 603 OE2 GLU A 38 -11.082 -0.149 4.205 1.00 0.00 O ATOM 0 H GLU A 38 -6.598 1.597 7.865 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.436 1.673 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.858 0.124 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.906 1.472 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.405 1.802 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.358 0.453 4.019 1.00 0.00 H new ATOM 610 N GLY A 39 -8.206 4.124 6.370 1.00 0.00 N ATOM 611 CA GLY A 39 -8.806 5.456 6.058 1.00 0.00 C ATOM 612 C GLY A 39 -7.709 6.512 5.971 1.00 0.00 C ATOM 613 O GLY A 39 -7.947 7.628 5.562 1.00 0.00 O ATOM 0 H GLY A 39 -8.265 3.845 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.351 5.407 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.526 5.730 6.829 1.00 0.00 H new ATOM 617 N LYS A 40 -6.508 6.169 6.355 1.00 0.00 N ATOM 618 CA LYS A 40 -5.374 7.151 6.297 1.00 0.00 C ATOM 619 C LYS A 40 -4.326 6.648 5.303 1.00 0.00 C ATOM 620 O LYS A 40 -3.198 7.095 5.297 1.00 0.00 O ATOM 621 CB LYS A 40 -4.745 7.283 7.683 1.00 0.00 C ATOM 622 CG LYS A 40 -5.776 7.872 8.654 1.00 0.00 C ATOM 623 CD LYS A 40 -5.119 8.141 10.017 1.00 0.00 C ATOM 624 CE LYS A 40 -5.023 6.842 10.823 1.00 0.00 C ATOM 625 NZ LYS A 40 -6.376 6.230 10.939 1.00 0.00 N ATOM 0 H LYS A 40 -6.258 5.246 6.709 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.745 8.124 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.410 6.308 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.865 7.924 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.183 8.798 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.611 7.182 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.124 8.562 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.700 8.879 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.339 6.148 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.618 7.045 11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.521 5.889 11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.100 6.941 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.454 5.432 10.277 1.00 0.00 H new ATOM 639 N LEU A 41 -4.695 5.720 4.466 1.00 0.00 N ATOM 640 CA LEU A 41 -3.727 5.175 3.466 1.00 0.00 C ATOM 641 C LEU A 41 -3.141 6.311 2.638 1.00 0.00 C ATOM 642 O LEU A 41 -3.296 7.471 2.952 1.00 0.00 O ATOM 643 CB LEU A 41 -4.454 4.179 2.534 1.00 0.00 C ATOM 644 CG LEU A 41 -4.320 2.750 3.083 1.00 0.00 C ATOM 645 CD1 LEU A 41 -5.444 1.878 2.523 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.962 2.162 2.657 1.00 0.00 C ATOM 0 H LEU A 41 -5.629 5.312 4.429 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.921 4.663 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.507 4.448 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.032 4.233 1.531 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.385 2.774 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.347 0.865 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.408 2.291 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.379 1.855 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.866 1.148 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.900 2.140 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.157 2.781 3.054 1.00 0.00 H new ATOM 658 N VAL A 42 -2.454 5.965 1.584 1.00 0.00 N ATOM 659 CA VAL A 42 -1.818 6.995 0.709 1.00 0.00 C ATOM 660 C VAL A 42 -2.228 6.792 -0.745 1.00 0.00 C ATOM 661 O VAL A 42 -2.698 5.744 -1.147 1.00 0.00 O ATOM 662 CB VAL A 42 -0.287 6.883 0.831 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.190 7.659 2.059 1.00 0.00 C ATOM 664 CG2 VAL A 42 0.122 5.406 0.976 1.00 0.00 C ATOM 0 H VAL A 42 -2.304 5.001 1.287 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.149 7.984 1.028 1.00 0.00 H new ATOM 0 HB VAL A 42 0.170 7.299 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.274 7.578 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.088 8.708 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.275 7.245 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.206 5.335 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.341 4.986 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.210 4.849 0.100 1.00 0.00 H new ATOM 674 N LYS A 43 -2.040 7.815 -1.530 1.00 0.00 N ATOM 675 CA LYS A 43 -2.396 7.752 -2.975 1.00 0.00 C ATOM 676 C LYS A 43 -1.395 8.581 -3.784 1.00 0.00 C ATOM 677 O LYS A 43 -1.535 9.775 -3.941 1.00 0.00 O ATOM 678 CB LYS A 43 -3.807 8.301 -3.180 1.00 0.00 C ATOM 679 CG LYS A 43 -4.217 8.074 -4.634 1.00 0.00 C ATOM 680 CD LYS A 43 -5.678 8.486 -4.826 1.00 0.00 C ATOM 681 CE LYS A 43 -6.097 8.224 -6.274 1.00 0.00 C ATOM 682 NZ LYS A 43 -5.248 9.032 -7.195 1.00 0.00 N ATOM 0 H LYS A 43 -1.648 8.707 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.362 6.716 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.507 7.804 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.837 9.364 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.575 8.653 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.087 7.025 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.317 7.925 -4.144 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.804 9.542 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.996 7.164 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.147 8.482 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.718 9.113 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.107 9.981 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.326 8.567 -7.315 1.00 0.00 H new ATOM 696 N GLY A 44 -0.389 7.934 -4.304 1.00 0.00 N ATOM 697 CA GLY A 44 0.642 8.638 -5.126 1.00 0.00 C ATOM 698 C GLY A 44 1.831 9.037 -4.250 1.00 0.00 C ATOM 699 O GLY A 44 2.890 9.371 -4.743 1.00 0.00 O ATOM 0 H GLY A 44 -0.233 6.932 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.978 7.989 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.207 9.524 -5.588 1.00 0.00 H new ATOM 703 N SER A 45 1.665 9.018 -2.952 1.00 0.00 N ATOM 704 CA SER A 45 2.784 9.413 -2.042 1.00 0.00 C ATOM 705 C SER A 45 3.707 8.222 -1.778 1.00 0.00 C ATOM 706 O SER A 45 3.383 7.081 -2.054 1.00 0.00 O ATOM 707 CB SER A 45 2.214 9.929 -0.722 1.00 0.00 C ATOM 708 OG SER A 45 1.693 11.236 -0.920 1.00 0.00 O ATOM 0 H SER A 45 0.802 8.746 -2.482 1.00 0.00 H new ATOM 0 HA SER A 45 3.364 10.202 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.430 9.262 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.991 9.946 0.042 1.00 0.00 H new ATOM 0 HG SER A 45 0.854 11.332 -0.424 1.00 0.00 H new ATOM 714 N MET A 46 4.865 8.501 -1.251 1.00 0.00 N ATOM 715 CA MET A 46 5.860 7.428 -0.963 1.00 0.00 C ATOM 716 C MET A 46 5.361 6.500 0.137 1.00 0.00 C ATOM 717 O MET A 46 4.715 6.910 1.080 1.00 0.00 O ATOM 718 CB MET A 46 7.176 8.069 -0.524 1.00 0.00 C ATOM 719 CG MET A 46 7.811 8.774 -1.722 1.00 0.00 C ATOM 720 SD MET A 46 9.423 9.440 -1.243 1.00 0.00 S ATOM 721 CE MET A 46 8.822 10.737 -0.133 1.00 0.00 C ATOM 0 H MET A 46 5.170 9.442 -1.003 1.00 0.00 H new ATOM 0 HA MET A 46 6.008 6.840 -1.869 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.997 8.782 0.281 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.852 7.309 -0.132 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.926 8.075 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.162 9.578 -2.071 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.563 11.534 -0.070 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.886 11.142 -0.519 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.654 10.318 0.859 1.00 0.00 H new ATOM 731 N VAL A 47 5.667 5.236 0.006 1.00 0.00 N ATOM 732 CA VAL A 47 5.231 4.224 1.018 1.00 0.00 C ATOM 733 C VAL A 47 6.428 3.367 1.421 1.00 0.00 C ATOM 734 O VAL A 47 7.428 3.311 0.734 1.00 0.00 O ATOM 735 CB VAL A 47 4.137 3.329 0.404 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.148 4.198 -0.398 1.00 0.00 C ATOM 737 CG2 VAL A 47 4.759 2.267 -0.526 1.00 0.00 C ATOM 0 H VAL A 47 6.208 4.855 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 47 4.834 4.730 1.898 1.00 0.00 H new ATOM 0 HB VAL A 47 3.611 2.820 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.375 3.564 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.687 4.930 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.682 4.715 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.969 1.646 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.302 2.762 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.446 1.642 0.044 1.00 0.00 H new ATOM 747 N HIS A 48 6.321 2.700 2.535 1.00 0.00 N ATOM 748 CA HIS A 48 7.444 1.832 3.015 1.00 0.00 C ATOM 749 C HIS A 48 6.914 0.446 3.381 1.00 0.00 C ATOM 750 O HIS A 48 5.959 0.300 4.117 1.00 0.00 O ATOM 751 CB HIS A 48 8.087 2.481 4.239 1.00 0.00 C ATOM 752 CG HIS A 48 9.279 1.671 4.660 1.00 0.00 C ATOM 753 ND1 HIS A 48 10.394 1.527 3.851 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.545 0.953 5.799 1.00 0.00 C ATOM 755 CE1 HIS A 48 11.274 0.750 4.509 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.806 0.373 5.703 1.00 0.00 N ATOM 0 H HIS A 48 5.501 2.716 3.141 1.00 0.00 H new ATOM 0 HA HIS A 48 8.186 1.725 2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.390 3.502 4.007 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.366 2.540 5.055 1.00 0.00 H new ATOM 0 HD1 HIS A 48 10.524 1.935 2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.877 0.853 6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.240 0.466 4.120 1.00 0.00 H new ATOM 764 N PHE A 49 7.541 -0.572 2.856 1.00 0.00 N ATOM 765 CA PHE A 49 7.102 -1.973 3.144 1.00 0.00 C ATOM 766 C PHE A 49 8.322 -2.884 3.232 1.00 0.00 C ATOM 767 O PHE A 49 9.393 -2.561 2.752 1.00 0.00 O ATOM 768 CB PHE A 49 6.186 -2.466 2.025 1.00 0.00 C ATOM 769 CG PHE A 49 6.956 -2.571 0.725 1.00 0.00 C ATOM 770 CD1 PHE A 49 7.053 -1.464 -0.126 1.00 0.00 C ATOM 771 CD2 PHE A 49 7.567 -3.783 0.368 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.758 -1.568 -1.333 1.00 0.00 C ATOM 773 CE2 PHE A 49 8.272 -3.884 -0.838 1.00 0.00 C ATOM 774 CZ PHE A 49 8.367 -2.777 -1.688 1.00 0.00 C ATOM 0 H PHE A 49 8.346 -0.495 2.234 1.00 0.00 H new ATOM 0 HA PHE A 49 6.563 -1.991 4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.769 -3.438 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.347 -1.781 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.585 -0.530 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.494 -4.638 1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.831 -0.714 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.742 -4.817 -1.112 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.910 -2.855 -2.618 1.00 0.00 H new ATOM 784 N ASP A 50 8.159 -4.025 3.850 1.00 0.00 N ATOM 785 CA ASP A 50 9.295 -4.982 3.994 1.00 0.00 C ATOM 786 C ASP A 50 9.123 -6.141 2.996 1.00 0.00 C ATOM 787 O ASP A 50 8.020 -6.466 2.599 1.00 0.00 O ATOM 788 CB ASP A 50 9.322 -5.543 5.428 1.00 0.00 C ATOM 789 CG ASP A 50 10.021 -4.546 6.360 1.00 0.00 C ATOM 790 OD1 ASP A 50 9.637 -3.389 6.352 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.935 -4.958 7.056 1.00 0.00 O ATOM 0 H ASP A 50 7.280 -4.337 4.264 1.00 0.00 H new ATOM 0 HA ASP A 50 10.231 -4.461 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.306 -5.729 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.845 -6.499 5.445 1.00 0.00 H new ATOM 796 N PRO A 51 10.207 -6.769 2.609 1.00 0.00 N ATOM 797 CA PRO A 51 10.176 -7.915 1.652 1.00 0.00 C ATOM 798 C PRO A 51 9.156 -8.981 2.041 1.00 0.00 C ATOM 799 O PRO A 51 8.952 -9.270 3.203 1.00 0.00 O ATOM 800 CB PRO A 51 11.603 -8.485 1.723 1.00 0.00 C ATOM 801 CG PRO A 51 12.461 -7.342 2.156 1.00 0.00 C ATOM 802 CD PRO A 51 11.586 -6.448 3.026 1.00 0.00 C ATOM 0 HA PRO A 51 9.879 -7.595 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.662 -9.312 2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.921 -8.871 0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.328 -7.697 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.840 -6.793 1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.739 -6.652 4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.814 -5.394 2.868 1.00 0.00 H new ATOM 810 N THR A 52 8.511 -9.563 1.061 1.00 0.00 N ATOM 811 CA THR A 52 7.489 -10.617 1.336 1.00 0.00 C ATOM 812 C THR A 52 7.822 -11.876 0.519 1.00 0.00 C ATOM 813 O THR A 52 8.352 -11.791 -0.572 1.00 0.00 O ATOM 814 CB THR A 52 6.104 -10.097 0.930 1.00 0.00 C ATOM 815 OG1 THR A 52 5.908 -10.305 -0.461 1.00 0.00 O ATOM 816 CG2 THR A 52 6.006 -8.604 1.242 1.00 0.00 C ATOM 0 H THR A 52 8.651 -9.350 0.073 1.00 0.00 H new ATOM 0 HA THR A 52 7.491 -10.862 2.398 1.00 0.00 H new ATOM 0 HB THR A 52 5.338 -10.634 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.669 -9.456 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.022 -8.236 0.953 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.154 -8.445 2.310 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.773 -8.065 0.686 1.00 0.00 H new ATOM 824 N PRO A 53 7.509 -13.038 1.044 1.00 0.00 N ATOM 825 CA PRO A 53 7.777 -14.334 0.354 1.00 0.00 C ATOM 826 C PRO A 53 6.850 -14.537 -0.846 1.00 0.00 C ATOM 827 O PRO A 53 6.128 -15.507 -0.937 1.00 0.00 O ATOM 828 CB PRO A 53 7.518 -15.380 1.452 1.00 0.00 C ATOM 829 CG PRO A 53 6.529 -14.732 2.365 1.00 0.00 C ATOM 830 CD PRO A 53 6.864 -13.246 2.353 1.00 0.00 C ATOM 0 HA PRO A 53 8.784 -14.393 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.123 -16.305 1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.437 -15.636 1.980 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.509 -14.906 2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.601 -15.141 3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.968 -12.634 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.531 -12.980 3.173 1.00 0.00 H new ATOM 838 N THR A 54 6.872 -13.617 -1.769 1.00 0.00 N ATOM 839 CA THR A 54 6.004 -13.726 -2.984 1.00 0.00 C ATOM 840 C THR A 54 6.826 -13.376 -4.225 1.00 0.00 C ATOM 841 O THR A 54 6.490 -12.471 -4.962 1.00 0.00 O ATOM 842 CB THR A 54 4.829 -12.753 -2.862 1.00 0.00 C ATOM 843 OG1 THR A 54 5.300 -11.488 -2.419 1.00 0.00 O ATOM 844 CG2 THR A 54 3.812 -13.302 -1.861 1.00 0.00 C ATOM 0 H THR A 54 7.459 -12.784 -1.737 1.00 0.00 H new ATOM 0 HA THR A 54 5.624 -14.744 -3.071 1.00 0.00 H new ATOM 0 HB THR A 54 4.352 -12.638 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.612 -11.561 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.976 -12.608 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.447 -14.269 -2.206 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.287 -13.420 -0.887 1.00 0.00 H new ATOM 852 N PRO A 55 7.891 -14.100 -4.465 1.00 0.00 N ATOM 853 CA PRO A 55 8.762 -13.874 -5.654 1.00 0.00 C ATOM 854 C PRO A 55 8.015 -14.242 -6.937 1.00 0.00 C ATOM 855 O PRO A 55 8.390 -13.855 -8.025 1.00 0.00 O ATOM 856 CB PRO A 55 9.961 -14.810 -5.421 1.00 0.00 C ATOM 857 CG PRO A 55 9.441 -15.880 -4.513 1.00 0.00 C ATOM 858 CD PRO A 55 8.377 -15.216 -3.635 1.00 0.00 C ATOM 0 HA PRO A 55 9.067 -12.834 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.323 -15.229 -6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.796 -14.277 -4.966 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.014 -16.703 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.243 -16.297 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.574 -15.909 -3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.797 -14.862 -2.694 1.00 0.00 H new ATOM 866 N LYS A 56 6.955 -14.993 -6.799 1.00 0.00 N ATOM 867 CA LYS A 56 6.147 -15.413 -7.986 1.00 0.00 C ATOM 868 C LYS A 56 4.789 -14.707 -7.946 1.00 0.00 C ATOM 869 O LYS A 56 3.753 -15.315 -8.111 1.00 0.00 O ATOM 870 CB LYS A 56 5.946 -16.932 -7.950 1.00 0.00 C ATOM 871 CG LYS A 56 5.526 -17.416 -9.338 1.00 0.00 C ATOM 872 CD LYS A 56 5.103 -18.884 -9.273 1.00 0.00 C ATOM 873 CE LYS A 56 6.322 -19.763 -8.977 1.00 0.00 C ATOM 874 NZ LYS A 56 5.993 -21.183 -9.272 1.00 0.00 N ATOM 0 H LYS A 56 6.609 -15.339 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 56 6.668 -15.142 -8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.868 -17.426 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.185 -17.193 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.702 -16.808 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.352 -17.298 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.348 -19.020 -8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.648 -19.183 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.170 -19.442 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.616 -19.656 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.821 -21.780 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.195 -21.485 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.733 -21.278 -10.274 1.00 0.00 H new ATOM 888 N GLY A 57 4.798 -13.421 -7.734 1.00 0.00 N ATOM 889 CA GLY A 57 3.519 -12.648 -7.691 1.00 0.00 C ATOM 890 C GLY A 57 3.768 -11.290 -7.021 1.00 0.00 C ATOM 891 O GLY A 57 3.009 -10.357 -7.183 1.00 0.00 O ATOM 0 H GLY A 57 5.641 -12.866 -7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.134 -12.503 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.762 -13.205 -7.139 1.00 0.00 H new ATOM 895 N LEU A 58 4.831 -11.187 -6.266 1.00 0.00 N ATOM 896 CA LEU A 58 5.170 -9.911 -5.558 1.00 0.00 C ATOM 897 C LEU A 58 4.052 -9.528 -4.594 1.00 0.00 C ATOM 898 O LEU A 58 2.887 -9.761 -4.843 1.00 0.00 O ATOM 899 CB LEU A 58 5.391 -8.777 -6.566 1.00 0.00 C ATOM 900 CG LEU A 58 6.488 -9.179 -7.561 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.653 -8.074 -8.608 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.821 -9.389 -6.818 1.00 0.00 C ATOM 0 H LEU A 58 5.492 -11.947 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 58 6.091 -10.068 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.464 -8.564 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.676 -7.864 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 58 6.204 -10.110 -8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.432 -8.357 -9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.712 -7.934 -9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.933 -7.143 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.594 -9.674 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.110 -8.463 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.703 -10.178 -6.076 1.00 0.00 H new ATOM 914 N ALA A 59 4.409 -8.941 -3.487 1.00 0.00 N ATOM 915 CA ALA A 59 3.380 -8.535 -2.491 1.00 0.00 C ATOM 916 C ALA A 59 3.982 -7.548 -1.495 1.00 0.00 C ATOM 917 O ALA A 59 5.175 -7.517 -1.269 1.00 0.00 O ATOM 918 CB ALA A 59 2.866 -9.761 -1.741 1.00 0.00 C ATOM 0 H ALA A 59 5.372 -8.724 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 59 2.551 -8.060 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.114 -9.454 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.423 -10.461 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.694 -10.245 -1.223 1.00 0.00 H new ATOM 924 N ALA A 60 3.148 -6.740 -0.904 1.00 0.00 N ATOM 925 CA ALA A 60 3.625 -5.725 0.086 1.00 0.00 C ATOM 926 C ALA A 60 3.200 -6.133 1.491 1.00 0.00 C ATOM 927 O ALA A 60 2.089 -6.566 1.722 1.00 0.00 O ATOM 928 CB ALA A 60 3.012 -4.367 -0.255 1.00 0.00 C ATOM 0 H ALA A 60 2.141 -6.737 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 60 4.712 -5.662 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.356 -3.622 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.318 -4.072 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.925 -4.437 -0.213 1.00 0.00 H new ATOM 934 N LYS A 61 4.094 -5.993 2.430 1.00 0.00 N ATOM 935 CA LYS A 61 3.789 -6.364 3.846 1.00 0.00 C ATOM 936 C LYS A 61 4.253 -5.250 4.788 1.00 0.00 C ATOM 937 O LYS A 61 5.277 -4.623 4.587 1.00 0.00 O ATOM 938 CB LYS A 61 4.508 -7.666 4.203 1.00 0.00 C ATOM 939 CG LYS A 61 3.986 -8.174 5.548 1.00 0.00 C ATOM 940 CD LYS A 61 4.623 -9.529 5.871 1.00 0.00 C ATOM 941 CE LYS A 61 4.090 -10.050 7.212 1.00 0.00 C ATOM 942 NZ LYS A 61 2.603 -9.945 7.243 1.00 0.00 N ATOM 0 H LYS A 61 5.036 -5.633 2.277 1.00 0.00 H new ATOM 0 HA LYS A 61 2.713 -6.501 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.339 -8.413 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.584 -7.499 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.218 -7.455 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.901 -8.270 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.400 -10.244 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.708 -9.430 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.393 -11.087 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.521 -9.476 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.224 -10.598 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.329 -8.971 7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.218 -10.193 6.309 1.00 0.00 H new ATOM 956 N ALA A 62 3.484 -5.013 5.813 1.00 0.00 N ATOM 957 CA ALA A 62 3.816 -3.956 6.810 1.00 0.00 C ATOM 958 C ALA A 62 3.902 -2.597 6.114 1.00 0.00 C ATOM 959 O ALA A 62 4.840 -1.846 6.296 1.00 0.00 O ATOM 960 CB ALA A 62 5.142 -4.292 7.498 1.00 0.00 C ATOM 0 H ALA A 62 2.620 -5.519 6.006 1.00 0.00 H new ATOM 0 HA ALA A 62 3.032 -3.911 7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.381 -3.517 8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.055 -5.252 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.935 -4.346 6.752 1.00 0.00 H new ATOM 966 N ILE A 63 2.913 -2.280 5.323 1.00 0.00 N ATOM 967 CA ILE A 63 2.902 -0.973 4.599 1.00 0.00 C ATOM 968 C ILE A 63 2.766 0.168 5.600 1.00 0.00 C ATOM 969 O ILE A 63 2.024 0.088 6.557 1.00 0.00 O ATOM 970 CB ILE A 63 1.723 -0.935 3.621 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.922 -2.004 2.542 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.651 0.444 2.962 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.638 -2.156 1.720 1.00 0.00 C ATOM 0 H ILE A 63 2.104 -2.875 5.145 1.00 0.00 H new ATOM 0 HA ILE A 63 3.835 -0.862 4.047 1.00 0.00 H new ATOM 0 HB ILE A 63 0.796 -1.129 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.751 -1.727 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.184 -2.956 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.812 0.471 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.512 1.207 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.577 0.638 2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.784 -2.917 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.181 -2.453 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.395 -1.205 1.245 1.00 0.00 H new ATOM 985 N SER A 64 3.492 1.231 5.384 1.00 0.00 N ATOM 986 CA SER A 64 3.435 2.398 6.320 1.00 0.00 C ATOM 987 C SER A 64 3.310 3.695 5.530 1.00 0.00 C ATOM 988 O SER A 64 3.782 3.812 4.412 1.00 0.00 O ATOM 989 CB SER A 64 4.705 2.439 7.160 1.00 0.00 C ATOM 990 OG SER A 64 4.601 3.492 8.105 1.00 0.00 O ATOM 0 H SER A 64 4.128 1.345 4.594 1.00 0.00 H new ATOM 0 HA SER A 64 2.567 2.290 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.849 1.487 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.574 2.592 6.521 1.00 0.00 H new ATOM 0 HG SER A 64 5.414 3.523 8.651 1.00 0.00 H new ATOM 996 N LEU A 65 2.663 4.664 6.121 1.00 0.00 N ATOM 997 CA LEU A 65 2.461 5.984 5.457 1.00 0.00 C ATOM 998 C LEU A 65 3.396 7.023 6.111 1.00 0.00 C ATOM 999 O LEU A 65 3.136 7.496 7.202 1.00 0.00 O ATOM 1000 CB LEU A 65 1.003 6.431 5.631 1.00 0.00 C ATOM 1001 CG LEU A 65 0.475 6.011 7.021 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.565 7.029 7.501 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.177 4.619 6.931 1.00 0.00 C ATOM 0 H LEU A 65 2.258 4.594 7.055 1.00 0.00 H new ATOM 0 HA LEU A 65 2.687 5.898 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.931 7.513 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.384 5.988 4.851 1.00 0.00 H new ATOM 0 HG LEU A 65 1.306 5.976 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.938 6.733 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.105 8.015 7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.393 7.064 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.548 4.327 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.007 4.651 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.561 3.893 6.591 1.00 0.00 H new ATOM 1015 N PRO A 66 4.480 7.371 5.457 1.00 0.00 N ATOM 1016 CA PRO A 66 5.459 8.360 5.987 1.00 0.00 C ATOM 1017 C PRO A 66 4.995 9.795 5.729 1.00 0.00 C ATOM 1018 O PRO A 66 5.638 10.752 6.111 1.00 0.00 O ATOM 1019 CB PRO A 66 6.728 8.041 5.188 1.00 0.00 C ATOM 1020 CG PRO A 66 6.232 7.539 3.867 1.00 0.00 C ATOM 1021 CD PRO A 66 4.893 6.862 4.137 1.00 0.00 C ATOM 0 HA PRO A 66 5.596 8.292 7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.352 8.927 5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.336 7.291 5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.116 8.359 3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.940 6.837 3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.161 7.111 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.992 5.776 4.144 1.00 0.00 H new ATOM 1029 N LEU A 67 3.886 9.940 5.062 1.00 0.00 N ATOM 1030 CA LEU A 67 3.361 11.296 4.737 1.00 0.00 C ATOM 1031 C LEU A 67 2.972 12.044 6.013 1.00 0.00 C ATOM 1032 O LEU A 67 2.401 11.489 6.929 1.00 0.00 O ATOM 1033 CB LEU A 67 2.131 11.154 3.832 1.00 0.00 C ATOM 1034 CG LEU A 67 1.810 12.508 3.183 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.882 12.861 2.128 1.00 0.00 C ATOM 1036 CD2 LEU A 67 0.429 12.441 2.516 1.00 0.00 C ATOM 0 H LEU A 67 3.313 9.167 4.723 1.00 0.00 H new ATOM 0 HA LEU A 67 4.139 11.863 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.318 10.405 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.277 10.807 4.414 1.00 0.00 H new ATOM 0 HG LEU A 67 1.806 13.280 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.643 13.823 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.859 12.918 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.901 12.091 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.201 13.402 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.431 11.664 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.327 12.210 3.267 1.00 0.00 H new ATOM 1048 N GLU A 68 3.286 13.311 6.064 1.00 0.00 N ATOM 1049 CA GLU A 68 2.960 14.147 7.247 1.00 0.00 C ATOM 1050 C GLU A 68 3.629 13.561 8.489 1.00 0.00 C ATOM 1051 O GLU A 68 3.053 12.769 9.209 1.00 0.00 O ATOM 1052 CB GLU A 68 1.444 14.213 7.430 1.00 0.00 C ATOM 1053 CG GLU A 68 1.122 15.235 8.514 1.00 0.00 C ATOM 1054 CD GLU A 68 -0.396 15.380 8.662 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -1.107 14.555 8.111 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -0.822 16.314 9.323 1.00 0.00 O ATOM 0 H GLU A 68 3.766 13.809 5.315 1.00 0.00 H new ATOM 0 HA GLU A 68 3.335 15.159 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.963 14.493 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.055 13.233 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.560 14.922 9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.565 16.198 8.261 1.00 0.00 H new ATOM 1063 N HIS A 69 4.850 13.949 8.736 1.00 0.00 N ATOM 1064 CA HIS A 69 5.593 13.425 9.921 1.00 0.00 C ATOM 1065 C HIS A 69 5.151 14.161 11.186 1.00 0.00 C ATOM 1066 O HIS A 69 4.787 15.320 11.161 1.00 0.00 O ATOM 1067 CB HIS A 69 7.098 13.628 9.714 1.00 0.00 C ATOM 1068 CG HIS A 69 7.557 12.813 8.535 1.00 0.00 C ATOM 1069 ND1 HIS A 69 7.547 11.427 8.547 1.00 0.00 N ATOM 1070 CD2 HIS A 69 8.045 13.174 7.303 1.00 0.00 C ATOM 1071 CE1 HIS A 69 8.014 11.008 7.356 1.00 0.00 C ATOM 1072 NE2 HIS A 69 8.332 12.032 6.560 1.00 0.00 N ATOM 0 H HIS A 69 5.371 14.613 8.163 1.00 0.00 H new ATOM 0 HA HIS A 69 5.378 12.362 10.032 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.314 14.683 9.546 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.643 13.330 10.610 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.185 14.189 6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.119 9.970 7.078 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.705 11.987 5.612 1.00 0.00 H new ATOM 1080 N HIS A 70 5.186 13.476 12.294 1.00 0.00 N ATOM 1081 CA HIS A 70 4.777 14.084 13.593 1.00 0.00 C ATOM 1082 C HIS A 70 3.364 14.650 13.484 1.00 0.00 C ATOM 1083 O HIS A 70 3.126 15.653 12.838 1.00 0.00 O ATOM 1084 CB HIS A 70 5.758 15.190 13.981 1.00 0.00 C ATOM 1085 CG HIS A 70 5.313 15.821 15.271 1.00 0.00 C ATOM 1086 ND1 HIS A 70 5.477 15.195 16.497 1.00 0.00 N ATOM 1087 CD2 HIS A 70 4.709 17.024 15.542 1.00 0.00 C ATOM 1088 CE1 HIS A 70 4.980 16.016 17.441 1.00 0.00 C ATOM 1089 NE2 HIS A 70 4.500 17.145 16.912 1.00 0.00 N ATOM 0 H HIS A 70 5.486 12.503 12.356 1.00 0.00 H new ATOM 0 HA HIS A 70 4.788 13.314 14.365 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.762 14.779 14.091 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.806 15.942 13.193 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.437 17.764 14.804 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.970 15.790 18.497 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.072 17.928 17.407 1.00 0.00 H new ATOM 1097 N HIS A 71 2.425 14.003 14.114 1.00 0.00 N ATOM 1098 CA HIS A 71 1.010 14.474 14.061 1.00 0.00 C ATOM 1099 C HIS A 71 0.899 15.840 14.734 1.00 0.00 C ATOM 1100 O HIS A 71 1.500 16.096 15.757 1.00 0.00 O ATOM 1101 CB HIS A 71 0.106 13.460 14.776 1.00 0.00 C ATOM 1102 CG HIS A 71 0.465 13.381 16.238 1.00 0.00 C ATOM 1103 ND1 HIS A 71 0.300 14.454 17.099 1.00 0.00 N ATOM 1104 CD2 HIS A 71 0.969 12.358 17.006 1.00 0.00 C ATOM 1105 CE1 HIS A 71 0.695 14.058 18.323 1.00 0.00 C ATOM 1106 NE2 HIS A 71 1.113 12.789 18.323 1.00 0.00 N ATOM 0 H HIS A 71 2.577 13.161 14.669 1.00 0.00 H new ATOM 0 HA HIS A 71 0.694 14.564 13.022 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.938 13.752 14.666 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.213 12.478 14.315 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.056 15.377 16.850 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.216 11.371 16.644 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.676 14.689 19.199 1.00 0.00 H new ATOM 1114 N HIS A 72 0.132 16.720 14.154 1.00 0.00 N ATOM 1115 CA HIS A 72 -0.032 18.084 14.735 1.00 0.00 C ATOM 1116 C HIS A 72 -1.113 18.035 15.814 1.00 0.00 C ATOM 1117 O HIS A 72 -1.277 18.958 16.586 1.00 0.00 O ATOM 1118 CB HIS A 72 -0.460 19.061 13.633 1.00 0.00 C ATOM 1119 CG HIS A 72 0.677 19.265 12.666 1.00 0.00 C ATOM 1120 ND1 HIS A 72 0.551 20.052 11.532 1.00 0.00 N ATOM 1121 CD2 HIS A 72 1.964 18.788 12.649 1.00 0.00 C ATOM 1122 CE1 HIS A 72 1.731 20.027 10.886 1.00 0.00 C ATOM 1123 NE2 HIS A 72 2.627 19.271 11.525 1.00 0.00 N ATOM 0 H HIS A 72 -0.393 16.553 13.296 1.00 0.00 H new ATOM 0 HA HIS A 72 0.911 18.417 15.168 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.332 18.672 13.107 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.752 20.015 14.072 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.396 18.137 13.394 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.929 20.554 9.964 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.591 19.087 11.248 1.00 0.00 H new ATOM 1131 N HIS A 73 -1.856 16.958 15.868 1.00 0.00 N ATOM 1132 CA HIS A 73 -2.937 16.838 16.894 1.00 0.00 C ATOM 1133 C HIS A 73 -3.183 15.364 17.239 1.00 0.00 C ATOM 1134 O HIS A 73 -2.804 14.467 16.512 1.00 0.00 O ATOM 1135 CB HIS A 73 -4.229 17.453 16.350 1.00 0.00 C ATOM 1136 CG HIS A 73 -4.630 16.766 15.067 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -3.967 16.989 13.870 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -5.633 15.873 14.778 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -4.573 16.246 12.926 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -5.595 15.546 13.425 1.00 0.00 N ATOM 0 H HIS A 73 -1.761 16.156 15.245 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.626 17.367 17.795 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.026 17.357 17.088 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.087 18.519 16.172 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.343 15.483 15.492 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.270 16.219 11.890 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.214 14.909 12.923 1.00 0.00 H new ATOM 1148 N HIS A 74 -3.823 15.123 18.351 1.00 0.00 N ATOM 1149 CA HIS A 74 -4.121 13.722 18.782 1.00 0.00 C ATOM 1150 C HIS A 74 -5.265 13.737 19.805 1.00 0.00 C ATOM 1151 O HIS A 74 -5.679 14.820 20.188 1.00 0.00 O ATOM 1152 CB HIS A 74 -2.879 13.106 19.429 1.00 0.00 C ATOM 1153 CG HIS A 74 -3.182 11.694 19.848 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -3.458 11.355 21.165 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -3.256 10.523 19.135 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -3.680 10.027 21.202 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -3.572 9.472 19.993 1.00 0.00 N ATOM 1158 OXT HIS A 74 -5.705 12.665 20.188 1.00 0.00 O ATOM 0 H HIS A 74 -4.157 15.845 18.989 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.409 13.132 17.912 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.046 13.118 18.726 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.575 13.696 20.294 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.094 10.431 18.071 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.917 9.478 22.101 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.695 8.489 19.749 1.00 0.00 H new TER 1166 HIS A 74