USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 536 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 50 THR OG1 : rot 136:sc= 0.907 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.787 K(o=1.7,f=-2) USER MOD Set 2.1: A 49 SER OG : rot -6:sc= 0.425 USER MOD Set 2.2: A 60 SER OG : rot -53:sc= 1.8 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -130:sc= -0.063 USER MOD Single : A 48 GLN : amide:sc= 0.571 K(o=0.57,f=-1.3) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00183 X(o=-0.0018,f=-0.0018) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.21) USER MOD Single : A 73 SER OG : rot 85:sc= 0.0249 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -16:sc= 0.301 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 20 -5.396 1.331 4.124 1.00 0.00 N ATOM 79 CA LEU A 20 -5.835 0.035 3.620 1.00 0.00 C ATOM 80 C LEU A 20 -5.227 -1.104 4.428 1.00 0.00 C ATOM 81 O LEU A 20 -5.897 -2.094 4.724 1.00 0.00 O ATOM 82 CB LEU A 20 -5.473 -0.108 2.137 1.00 0.00 C ATOM 83 CG LEU A 20 -6.416 -0.999 1.318 1.00 0.00 C ATOM 84 CD1 LEU A 20 -6.034 -0.948 -0.156 1.00 0.00 C ATOM 85 CD2 LEU A 20 -6.351 -2.426 1.843 1.00 0.00 C ATOM 0 HA LEU A 20 -6.918 -0.020 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.454 0.884 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.463 -0.511 2.063 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.438 -0.635 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.709 -1.584 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.109 0.078 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.010 -1.302 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.021 -3.059 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.331 -2.800 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.654 -2.443 2.890 1.00 0.00 H new ATOM 97 N GLN A 21 -3.955 -0.959 4.782 1.00 0.00 N ATOM 98 CA GLN A 21 -3.275 -1.942 5.617 1.00 0.00 C ATOM 99 C GLN A 21 -4.076 -2.240 6.879 1.00 0.00 C ATOM 100 O GLN A 21 -4.242 -3.398 7.260 1.00 0.00 O ATOM 101 CB GLN A 21 -1.877 -1.447 5.997 1.00 0.00 C ATOM 102 CG GLN A 21 -1.083 -2.420 6.850 1.00 0.00 C ATOM 103 CD GLN A 21 0.299 -1.896 7.191 1.00 0.00 C ATOM 104 OE1 GLN A 21 0.647 -0.759 6.859 1.00 0.00 O ATOM 105 NE2 GLN A 21 1.097 -2.724 7.856 1.00 0.00 N ATOM 0 H GLN A 21 -3.373 -0.169 4.503 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.185 -2.862 5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.317 -1.240 5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.971 -0.503 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.630 -2.621 7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.989 -3.369 6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.768 -3.655 8.110 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.039 -2.428 8.112 1.00 0.00 H new ATOM 114 N GLU A 22 -4.568 -1.188 7.524 1.00 0.00 N ATOM 115 CA GLU A 22 -5.359 -1.336 8.739 1.00 0.00 C ATOM 116 C GLU A 22 -6.624 -2.143 8.478 1.00 0.00 C ATOM 117 O GLU A 22 -6.973 -3.036 9.250 1.00 0.00 O ATOM 118 CB GLU A 22 -5.720 0.036 9.314 1.00 0.00 C ATOM 119 CG GLU A 22 -6.502 -0.016 10.619 1.00 0.00 C ATOM 120 CD GLU A 22 -6.759 1.365 11.156 1.00 0.00 C ATOM 121 OE1 GLU A 22 -6.324 2.310 10.544 1.00 0.00 O ATOM 122 OE2 GLU A 22 -7.484 1.481 12.116 1.00 0.00 O ATOM 0 H GLU A 22 -4.432 -0.222 7.225 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.754 -1.877 9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.802 0.601 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.305 0.584 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.450 -0.528 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.947 -0.598 11.355 1.00 0.00 H new ATOM 129 N TYR A 23 -7.308 -1.824 7.384 1.00 0.00 N ATOM 130 CA TYR A 23 -8.504 -2.558 6.987 1.00 0.00 C ATOM 131 C TYR A 23 -8.188 -4.025 6.728 1.00 0.00 C ATOM 132 O TYR A 23 -8.943 -4.913 7.125 1.00 0.00 O ATOM 133 CB TYR A 23 -9.129 -1.928 5.740 1.00 0.00 C ATOM 134 CG TYR A 23 -9.885 -0.646 6.015 1.00 0.00 C ATOM 135 CD1 TYR A 23 -11.125 -0.672 6.635 1.00 0.00 C ATOM 136 CD2 TYR A 23 -9.358 0.584 5.653 1.00 0.00 C ATOM 137 CE1 TYR A 23 -11.821 0.494 6.888 1.00 0.00 C ATOM 138 CE2 TYR A 23 -10.043 1.757 5.902 1.00 0.00 C ATOM 139 CZ TYR A 23 -11.276 1.708 6.520 1.00 0.00 C ATOM 140 OH TYR A 23 -11.965 2.873 6.770 1.00 0.00 O ATOM 0 H TYR A 23 -7.054 -1.061 6.756 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.218 -2.502 7.809 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.342 -1.726 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.808 -2.648 5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -11.554 -1.620 6.925 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.394 0.626 5.167 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.786 0.456 7.371 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.616 2.707 5.615 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.442 3.637 6.450 1.00 0.00 H new ATOM 150 N ALA A 24 -7.067 -4.275 6.059 1.00 0.00 N ATOM 151 CA ALA A 24 -6.648 -5.636 5.745 1.00 0.00 C ATOM 152 C ALA A 24 -6.449 -6.456 7.014 1.00 0.00 C ATOM 153 O ALA A 24 -6.846 -7.620 7.080 1.00 0.00 O ATOM 154 CB ALA A 24 -5.372 -5.621 4.918 1.00 0.00 C ATOM 0 H ALA A 24 -6.431 -3.551 5.723 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.439 -6.106 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.073 -6.644 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.548 -5.081 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.580 -5.127 5.480 1.00 0.00 H new ATOM 160 N GLN A 25 -5.835 -5.843 8.019 1.00 0.00 N ATOM 161 CA GLN A 25 -5.614 -6.504 9.299 1.00 0.00 C ATOM 162 C GLN A 25 -6.932 -6.820 9.993 1.00 0.00 C ATOM 163 O GLN A 25 -7.106 -7.901 10.554 1.00 0.00 O ATOM 164 CB GLN A 25 -4.748 -5.630 10.212 1.00 0.00 C ATOM 165 CG GLN A 25 -3.292 -5.540 9.787 1.00 0.00 C ATOM 166 CD GLN A 25 -2.496 -4.575 10.647 1.00 0.00 C ATOM 167 OE1 GLN A 25 -3.048 -3.907 11.527 1.00 0.00 O ATOM 168 NE2 GLN A 25 -1.196 -4.493 10.396 1.00 0.00 N ATOM 0 H GLN A 25 -5.481 -4.888 7.972 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.095 -7.442 9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.169 -4.625 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.795 -6.025 11.227 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.839 -6.530 9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.239 -5.222 8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.782 -5.064 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.611 -3.859 10.940 1.00 0.00 H new ATOM 177 N LYS A 26 -7.860 -5.869 9.949 1.00 0.00 N ATOM 178 CA LYS A 26 -9.184 -6.063 10.528 1.00 0.00 C ATOM 179 C LYS A 26 -9.946 -7.165 9.803 1.00 0.00 C ATOM 180 O LYS A 26 -10.783 -7.846 10.395 1.00 0.00 O ATOM 181 CB LYS A 26 -9.981 -4.758 10.491 1.00 0.00 C ATOM 182 CG LYS A 26 -9.476 -3.685 11.445 1.00 0.00 C ATOM 183 CD LYS A 26 -10.309 -2.416 11.341 1.00 0.00 C ATOM 184 CE LYS A 26 -9.828 -1.355 12.320 1.00 0.00 C ATOM 185 NZ LYS A 26 -10.635 -0.108 12.231 1.00 0.00 N ATOM 0 H LYS A 26 -7.719 -4.955 9.518 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.053 -6.367 11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.960 -4.363 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.023 -4.976 10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.508 -4.061 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.434 -3.458 11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.256 -2.026 10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.355 -2.648 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.879 -1.748 13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.782 -1.125 12.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.274 0.588 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.566 0.282 11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.630 -0.322 12.447 1.00 0.00 H new ATOM 199 N TYR A 27 -9.653 -7.334 8.519 1.00 0.00 N ATOM 200 CA TYR A 27 -10.318 -8.346 7.708 1.00 0.00 C ATOM 201 C TYR A 27 -9.561 -9.668 7.747 1.00 0.00 C ATOM 202 O TYR A 27 -9.975 -10.648 7.128 1.00 0.00 O ATOM 203 CB TYR A 27 -10.459 -7.865 6.261 1.00 0.00 C ATOM 204 CG TYR A 27 -11.258 -6.589 6.115 1.00 0.00 C ATOM 205 CD1 TYR A 27 -12.093 -6.150 7.132 1.00 0.00 C ATOM 206 CD2 TYR A 27 -11.174 -5.826 4.960 1.00 0.00 C ATOM 207 CE1 TYR A 27 -12.825 -4.986 7.003 1.00 0.00 C ATOM 208 CE2 TYR A 27 -11.901 -4.660 4.820 1.00 0.00 C ATOM 209 CZ TYR A 27 -12.726 -4.243 5.844 1.00 0.00 C ATOM 210 OH TYR A 27 -13.452 -3.082 5.710 1.00 0.00 O ATOM 0 H TYR A 27 -8.958 -6.782 8.017 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.311 -8.509 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.465 -7.710 5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.935 -8.649 5.672 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.172 -6.729 8.041 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.529 -6.149 4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.471 -4.659 7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.824 -4.078 3.914 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.267 -2.680 4.836 1.00 0.00 H new ATOM 220 N LYS A 28 -8.454 -9.688 8.479 1.00 0.00 N ATOM 221 CA LYS A 28 -7.586 -10.860 8.524 1.00 0.00 C ATOM 222 C LYS A 28 -7.154 -11.279 7.126 1.00 0.00 C ATOM 223 O LYS A 28 -6.982 -12.465 6.848 1.00 0.00 O ATOM 224 CB LYS A 28 -8.292 -12.021 9.226 1.00 0.00 C ATOM 225 CG LYS A 28 -8.728 -11.721 10.654 1.00 0.00 C ATOM 226 CD LYS A 28 -9.357 -12.942 11.309 1.00 0.00 C ATOM 227 CE LYS A 28 -9.874 -12.619 12.703 1.00 0.00 C ATOM 228 NZ LYS A 28 -10.518 -13.798 13.345 1.00 0.00 N ATOM 0 H LYS A 28 -8.135 -8.906 9.050 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.694 -10.593 9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.169 -12.303 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.625 -12.883 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.867 -11.395 11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.443 -10.898 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.177 -13.307 10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.622 -13.744 11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.048 -12.273 13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.592 -11.801 12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.856 -13.536 14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.322 -14.113 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.826 -14.570 13.426 1.00 0.00 H new ATOM 242 N LEU A 29 -6.977 -10.297 6.248 1.00 0.00 N ATOM 243 CA LEU A 29 -6.525 -10.560 4.886 1.00 0.00 C ATOM 244 C LEU A 29 -5.127 -10.003 4.653 1.00 0.00 C ATOM 245 O LEU A 29 -4.723 -9.028 5.286 1.00 0.00 O ATOM 246 CB LEU A 29 -7.512 -9.961 3.875 1.00 0.00 C ATOM 247 CG LEU A 29 -8.951 -10.486 3.977 1.00 0.00 C ATOM 248 CD1 LEU A 29 -9.847 -9.748 2.993 1.00 0.00 C ATOM 249 CD2 LEU A 29 -8.965 -11.983 3.702 1.00 0.00 C ATOM 0 H LEU A 29 -7.140 -9.312 6.455 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.485 -11.640 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.527 -8.879 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.141 -10.157 2.869 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.333 -10.310 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.866 -10.128 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.838 -8.682 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.480 -9.905 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.986 -12.357 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.579 -12.173 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.339 -12.493 4.434 1.00 0.00 H new ATOM 261 N PRO A 30 -4.391 -10.632 3.741 1.00 0.00 N ATOM 262 CA PRO A 30 -3.054 -10.170 3.387 1.00 0.00 C ATOM 263 C PRO A 30 -3.075 -8.716 2.934 1.00 0.00 C ATOM 264 O PRO A 30 -4.054 -8.252 2.349 1.00 0.00 O ATOM 265 CB PRO A 30 -2.615 -11.120 2.260 1.00 0.00 C ATOM 266 CG PRO A 30 -3.417 -12.374 2.475 1.00 0.00 C ATOM 267 CD PRO A 30 -4.847 -11.729 2.878 1.00 0.00 C ATOM 0 HA PRO A 30 -2.363 -10.192 4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.814 -10.688 1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.545 -11.322 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.476 -12.990 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.005 -13.001 3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.405 -11.374 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.490 -12.435 3.404 1.00 0.00 H new ATOM 275 N THR A 31 -1.991 -8.000 3.208 1.00 0.00 N ATOM 276 CA THR A 31 -1.880 -6.598 2.825 1.00 0.00 C ATOM 277 C THR A 31 -1.474 -6.456 1.364 1.00 0.00 C ATOM 278 O THR A 31 -0.849 -7.351 0.793 1.00 0.00 O ATOM 279 CB THR A 31 -0.861 -5.850 3.704 1.00 0.00 C ATOM 280 OG1 THR A 31 0.433 -6.448 3.555 1.00 0.00 O ATOM 281 CG2 THR A 31 -1.277 -5.905 5.166 1.00 0.00 C ATOM 0 H THR A 31 -1.174 -8.369 3.695 1.00 0.00 H new ATOM 0 HA THR A 31 -2.865 -6.155 2.970 1.00 0.00 H new ATOM 0 HB THR A 31 -0.825 -4.808 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.081 -5.970 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.545 -5.371 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.255 -5.439 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.329 -6.944 5.491 1.00 0.00 H new ATOM 289 N PRO A 32 -1.832 -5.327 0.761 1.00 0.00 N ATOM 290 CA PRO A 32 -1.519 -5.073 -0.640 1.00 0.00 C ATOM 291 C PRO A 32 -0.014 -5.050 -0.873 1.00 0.00 C ATOM 292 O PRO A 32 0.726 -4.384 -0.147 1.00 0.00 O ATOM 293 CB PRO A 32 -2.169 -3.709 -0.929 1.00 0.00 C ATOM 294 CG PRO A 32 -3.277 -3.586 0.082 1.00 0.00 C ATOM 295 CD PRO A 32 -2.548 -4.204 1.383 1.00 0.00 C ATOM 0 HA PRO A 32 -1.895 -5.852 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.448 -2.898 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.556 -3.664 -1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.590 -2.553 0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.165 -4.150 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.874 -3.493 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.258 -4.531 2.143 1.00 0.00 H new ATOM 303 N VAL A 33 0.434 -5.782 -1.885 1.00 0.00 N ATOM 304 CA VAL A 33 1.846 -5.806 -2.248 1.00 0.00 C ATOM 305 C VAL A 33 2.092 -5.061 -3.554 1.00 0.00 C ATOM 306 O VAL A 33 1.440 -5.327 -4.564 1.00 0.00 O ATOM 307 CB VAL A 33 2.371 -7.248 -2.385 1.00 0.00 C ATOM 308 CG1 VAL A 33 3.832 -7.245 -2.809 1.00 0.00 C ATOM 309 CG2 VAL A 33 2.199 -8.003 -1.076 1.00 0.00 C ATOM 0 H VAL A 33 -0.161 -6.368 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 33 2.385 -5.308 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 33 1.790 -7.755 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.186 -8.272 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.931 -6.740 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.427 -6.721 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.575 -9.020 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.756 -7.497 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.142 -8.035 -0.810 1.00 0.00 H new ATOM 319 N TYR A 34 3.037 -4.127 -3.528 1.00 0.00 N ATOM 320 CA TYR A 34 3.308 -3.279 -4.683 1.00 0.00 C ATOM 321 C TYR A 34 4.533 -3.763 -5.447 1.00 0.00 C ATOM 322 O TYR A 34 5.489 -4.266 -4.853 1.00 0.00 O ATOM 323 CB TYR A 34 3.505 -1.826 -4.245 1.00 0.00 C ATOM 324 CG TYR A 34 4.893 -1.523 -3.726 1.00 0.00 C ATOM 325 CD1 TYR A 34 5.214 -1.729 -2.393 1.00 0.00 C ATOM 326 CD2 TYR A 34 5.877 -1.031 -4.571 1.00 0.00 C ATOM 327 CE1 TYR A 34 6.479 -1.455 -1.913 1.00 0.00 C ATOM 328 CE2 TYR A 34 7.147 -0.754 -4.102 1.00 0.00 C ATOM 329 CZ TYR A 34 7.444 -0.967 -2.771 1.00 0.00 C ATOM 330 OH TYR A 34 8.706 -0.691 -2.299 1.00 0.00 O ATOM 0 H TYR A 34 3.629 -3.938 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 34 2.446 -3.337 -5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.293 -1.171 -5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.778 -1.590 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.462 -2.110 -1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.647 -0.862 -5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.712 -1.622 -0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.903 -0.373 -4.773 1.00 0.00 H new ATOM 0 HH TYR A 34 9.263 -0.356 -3.032 1.00 0.00 H new ATOM 340 N GLU A 35 4.500 -3.611 -6.765 1.00 0.00 N ATOM 341 CA GLU A 35 5.640 -3.961 -7.607 1.00 0.00 C ATOM 342 C GLU A 35 5.920 -2.871 -8.635 1.00 0.00 C ATOM 343 O GLU A 35 5.002 -2.210 -9.117 1.00 0.00 O ATOM 344 CB GLU A 35 5.397 -5.298 -8.310 1.00 0.00 C ATOM 345 CG GLU A 35 5.267 -6.488 -7.370 1.00 0.00 C ATOM 346 CD GLU A 35 5.047 -7.765 -8.133 1.00 0.00 C ATOM 347 OE1 GLU A 35 4.961 -7.708 -9.336 1.00 0.00 O ATOM 348 OE2 GLU A 35 5.078 -8.809 -7.525 1.00 0.00 O ATOM 0 H GLU A 35 3.696 -3.247 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 35 6.514 -4.055 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.488 -5.221 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.218 -5.485 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.168 -6.575 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.436 -6.324 -6.684 1.00 0.00 H new ATOM 355 N ILE A 36 7.194 -2.692 -8.965 1.00 0.00 N ATOM 356 CA ILE A 36 7.598 -1.682 -9.937 1.00 0.00 C ATOM 357 C ILE A 36 8.333 -2.312 -11.113 1.00 0.00 C ATOM 358 O ILE A 36 9.304 -3.046 -10.930 1.00 0.00 O ATOM 359 CB ILE A 36 8.498 -0.610 -9.296 1.00 0.00 C ATOM 360 CG1 ILE A 36 7.753 0.111 -8.171 1.00 0.00 C ATOM 361 CG2 ILE A 36 8.972 0.383 -10.347 1.00 0.00 C ATOM 362 CD1 ILE A 36 8.627 1.028 -7.347 1.00 0.00 C ATOM 0 H ILE A 36 7.965 -3.233 -8.574 1.00 0.00 H new ATOM 0 HA ILE A 36 6.684 -1.208 -10.296 1.00 0.00 H new ATOM 0 HB ILE A 36 9.372 -1.102 -8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.938 0.693 -8.602 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.301 -0.632 -7.514 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.607 1.134 -9.878 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.539 -0.143 -11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.110 0.870 -10.802 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.027 1.502 -6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.427 0.450 -6.885 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.059 1.795 -7.991 1.00 0.00 H new ATOM 374 N VAL A 37 7.862 -2.023 -12.322 1.00 0.00 N ATOM 375 CA VAL A 37 8.446 -2.595 -13.528 1.00 0.00 C ATOM 376 C VAL A 37 9.079 -1.516 -14.398 1.00 0.00 C ATOM 377 O VAL A 37 8.427 -0.540 -14.766 1.00 0.00 O ATOM 378 CB VAL A 37 7.396 -3.359 -14.357 1.00 0.00 C ATOM 379 CG1 VAL A 37 8.021 -3.910 -15.630 1.00 0.00 C ATOM 380 CG2 VAL A 37 6.783 -4.482 -13.536 1.00 0.00 C ATOM 0 H VAL A 37 7.076 -1.395 -12.492 1.00 0.00 H new ATOM 0 HA VAL A 37 9.217 -3.294 -13.203 1.00 0.00 H new ATOM 0 HB VAL A 37 6.604 -2.664 -14.635 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.265 -4.447 -16.204 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.414 -3.088 -16.228 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.832 -4.591 -15.372 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.044 -5.011 -14.138 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.565 -5.177 -13.229 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.300 -4.065 -12.652 1.00 0.00 H new ATOM 390 N LYS A 38 10.354 -1.701 -14.726 1.00 0.00 N ATOM 391 CA LYS A 38 11.061 -0.772 -15.599 1.00 0.00 C ATOM 392 C LYS A 38 11.024 -1.242 -17.048 1.00 0.00 C ATOM 393 O LYS A 38 11.391 -2.376 -17.353 1.00 0.00 O ATOM 394 CB LYS A 38 12.511 -0.603 -15.139 1.00 0.00 C ATOM 395 CG LYS A 38 13.313 0.410 -15.945 1.00 0.00 C ATOM 396 CD LYS A 38 14.738 0.526 -15.427 1.00 0.00 C ATOM 397 CE LYS A 38 15.542 1.534 -16.235 1.00 0.00 C ATOM 398 NZ LYS A 38 16.933 1.673 -15.726 1.00 0.00 N ATOM 0 H LYS A 38 10.918 -2.486 -14.400 1.00 0.00 H new ATOM 0 HA LYS A 38 10.556 0.192 -15.540 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.514 -0.300 -14.092 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.011 -1.570 -15.193 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.328 0.113 -16.994 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.826 1.384 -15.896 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.723 0.827 -14.379 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.224 -0.449 -15.472 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.567 1.224 -17.280 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.045 2.504 -16.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.446 2.369 -16.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.910 1.994 -14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.416 0.754 -15.781 1.00 0.00 H new ATOM 412 N GLU A 39 10.578 -0.362 -17.938 1.00 0.00 N ATOM 413 CA GLU A 39 10.502 -0.681 -19.359 1.00 0.00 C ATOM 414 C GLU A 39 11.096 0.437 -20.207 1.00 0.00 C ATOM 415 O GLU A 39 11.256 1.565 -19.741 1.00 0.00 O ATOM 416 CB GLU A 39 9.052 -0.941 -19.773 1.00 0.00 C ATOM 417 CG GLU A 39 8.416 -2.152 -19.105 1.00 0.00 C ATOM 418 CD GLU A 39 7.001 -2.352 -19.572 1.00 0.00 C ATOM 419 OE1 GLU A 39 6.541 -1.568 -20.367 1.00 0.00 O ATOM 420 OE2 GLU A 39 6.416 -3.350 -19.221 1.00 0.00 O ATOM 0 H GLU A 39 10.263 0.579 -17.700 1.00 0.00 H new ATOM 0 HA GLU A 39 11.086 -1.585 -19.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.456 -0.058 -19.540 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.014 -1.076 -20.854 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.004 -3.043 -19.326 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.429 -2.022 -18.023 1.00 0.00 H new ATOM 427 N GLY A 40 11.421 0.117 -21.455 1.00 0.00 N ATOM 428 CA GLY A 40 11.906 1.115 -22.401 1.00 0.00 C ATOM 429 C GLY A 40 13.428 1.121 -22.462 1.00 0.00 C ATOM 430 O GLY A 40 14.093 0.407 -21.712 1.00 0.00 O ATOM 0 H GLY A 40 11.357 -0.827 -21.835 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.500 0.909 -23.391 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.547 2.102 -22.109 1.00 0.00 H new ATOM 434 N PRO A 41 13.974 1.935 -23.361 1.00 0.00 N ATOM 435 CA PRO A 41 15.419 2.020 -23.538 1.00 0.00 C ATOM 436 C PRO A 41 16.076 2.745 -22.370 1.00 0.00 C ATOM 437 O PRO A 41 15.454 3.584 -21.719 1.00 0.00 O ATOM 438 CB PRO A 41 15.591 2.780 -24.863 1.00 0.00 C ATOM 439 CG PRO A 41 14.363 3.641 -24.978 1.00 0.00 C ATOM 440 CD PRO A 41 13.243 2.647 -24.416 1.00 0.00 C ATOM 0 HA PRO A 41 15.899 1.042 -23.566 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.498 3.384 -24.857 1.00 0.00 H new ATOM 0 HB3 PRO A 41 15.672 2.093 -25.705 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.441 4.553 -24.385 1.00 0.00 H new ATOM 0 HG3 PRO A 41 14.167 3.945 -26.006 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.379 3.184 -24.024 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.874 1.970 -25.186 1.00 0.00 H new ATOM 448 N SER A 42 17.338 2.417 -22.110 1.00 0.00 N ATOM 449 CA SER A 42 18.066 3.004 -20.992 1.00 0.00 C ATOM 450 C SER A 42 18.030 4.524 -21.050 1.00 0.00 C ATOM 451 O SER A 42 17.894 5.191 -20.023 1.00 0.00 O ATOM 452 CB SER A 42 19.500 2.510 -20.988 1.00 0.00 C ATOM 453 OG SER A 42 19.581 1.133 -20.740 1.00 0.00 O ATOM 0 H SER A 42 17.877 1.748 -22.659 1.00 0.00 H new ATOM 0 HA SER A 42 17.580 2.692 -20.068 1.00 0.00 H new ATOM 0 HB2 SER A 42 19.963 2.733 -21.949 1.00 0.00 H new ATOM 0 HB3 SER A 42 20.067 3.049 -20.229 1.00 0.00 H new ATOM 0 HG SER A 42 20.520 0.854 -20.747 1.00 0.00 H new ATOM 459 N HIS A 43 18.153 5.071 -22.254 1.00 0.00 N ATOM 460 CA HIS A 43 18.250 6.514 -22.436 1.00 0.00 C ATOM 461 C HIS A 43 16.881 7.176 -22.332 1.00 0.00 C ATOM 462 O HIS A 43 16.777 8.401 -22.273 1.00 0.00 O ATOM 463 CB HIS A 43 18.891 6.848 -23.787 1.00 0.00 C ATOM 464 CG HIS A 43 18.119 6.336 -24.963 1.00 0.00 C ATOM 465 ND1 HIS A 43 16.985 6.961 -25.437 1.00 0.00 N ATOM 466 CD2 HIS A 43 18.316 5.259 -25.758 1.00 0.00 C ATOM 467 CE1 HIS A 43 16.518 6.290 -26.475 1.00 0.00 C ATOM 468 NE2 HIS A 43 17.308 5.253 -26.690 1.00 0.00 N ATOM 0 H HIS A 43 18.188 4.535 -23.121 1.00 0.00 H new ATOM 0 HA HIS A 43 18.882 6.905 -21.639 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.992 7.930 -23.873 1.00 0.00 H new ATOM 0 HB3 HIS A 43 19.897 6.430 -23.815 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.116 4.539 -25.675 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.640 6.546 -27.050 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.188 4.560 -27.429 1.00 0.00 H new ATOM 476 N LYS A 44 15.835 6.358 -22.310 1.00 0.00 N ATOM 477 CA LYS A 44 14.469 6.864 -22.239 1.00 0.00 C ATOM 478 C LYS A 44 13.534 5.840 -21.609 1.00 0.00 C ATOM 479 O LYS A 44 12.523 5.461 -22.200 1.00 0.00 O ATOM 480 CB LYS A 44 13.967 7.247 -23.632 1.00 0.00 C ATOM 481 CG LYS A 44 12.574 7.860 -23.652 1.00 0.00 C ATOM 482 CD LYS A 44 12.172 8.274 -25.060 1.00 0.00 C ATOM 483 CE LYS A 44 10.773 8.874 -25.084 1.00 0.00 C ATOM 484 NZ LYS A 44 10.366 9.284 -26.455 1.00 0.00 N ATOM 0 H LYS A 44 15.907 5.341 -22.340 1.00 0.00 H new ATOM 0 HA LYS A 44 14.475 7.753 -21.608 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.668 7.954 -24.076 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.969 6.358 -24.263 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.853 7.142 -23.262 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.547 8.728 -22.994 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.888 9.000 -25.446 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.209 7.408 -25.720 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.060 8.147 -24.696 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.738 9.739 -24.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.408 9.687 -26.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.031 9.997 -26.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.374 8.454 -27.082 1.00 0.00 H new ATOM 498 N SER A 45 13.878 5.395 -20.405 1.00 0.00 N ATOM 499 CA SER A 45 13.105 4.367 -19.719 1.00 0.00 C ATOM 500 C SER A 45 11.924 4.974 -18.971 1.00 0.00 C ATOM 501 O SER A 45 11.977 6.124 -18.536 1.00 0.00 O ATOM 502 CB SER A 45 13.994 3.593 -18.765 1.00 0.00 C ATOM 503 OG SER A 45 14.456 4.393 -17.710 1.00 0.00 O ATOM 0 H SER A 45 14.688 5.731 -19.884 1.00 0.00 H new ATOM 0 HA SER A 45 12.710 3.682 -20.469 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.441 2.745 -18.361 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.845 3.187 -19.312 1.00 0.00 H new ATOM 0 HG SER A 45 15.427 4.293 -17.624 1.00 0.00 H new ATOM 509 N LEU A 46 10.860 4.192 -18.822 1.00 0.00 N ATOM 510 CA LEU A 46 9.717 4.600 -18.014 1.00 0.00 C ATOM 511 C LEU A 46 9.301 3.494 -17.052 1.00 0.00 C ATOM 512 O LEU A 46 9.448 2.309 -17.350 1.00 0.00 O ATOM 513 CB LEU A 46 8.541 4.990 -18.919 1.00 0.00 C ATOM 514 CG LEU A 46 8.770 6.235 -19.786 1.00 0.00 C ATOM 515 CD1 LEU A 46 7.638 6.384 -20.793 1.00 0.00 C ATOM 516 CD2 LEU A 46 8.867 7.464 -18.896 1.00 0.00 C ATOM 0 H LEU A 46 10.766 3.271 -19.251 1.00 0.00 H new ATOM 0 HA LEU A 46 10.012 5.467 -17.423 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.312 4.149 -19.573 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.663 5.158 -18.295 1.00 0.00 H new ATOM 0 HG LEU A 46 9.704 6.128 -20.337 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.809 7.270 -21.404 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.603 5.503 -21.434 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.691 6.486 -20.263 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.030 8.348 -19.513 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.941 7.580 -18.333 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.700 7.347 -18.203 1.00 0.00 H new ATOM 528 N PHE A 47 8.780 3.890 -15.895 1.00 0.00 N ATOM 529 CA PHE A 47 8.368 2.934 -14.874 1.00 0.00 C ATOM 530 C PHE A 47 6.855 2.753 -14.868 1.00 0.00 C ATOM 531 O PHE A 47 6.110 3.658 -15.243 1.00 0.00 O ATOM 532 CB PHE A 47 8.849 3.387 -13.493 1.00 0.00 C ATOM 533 CG PHE A 47 10.343 3.369 -13.337 1.00 0.00 C ATOM 534 CD1 PHE A 47 11.004 2.201 -12.990 1.00 0.00 C ATOM 535 CD2 PHE A 47 11.089 4.520 -13.536 1.00 0.00 C ATOM 536 CE1 PHE A 47 12.378 2.182 -12.844 1.00 0.00 C ATOM 537 CE2 PHE A 47 12.464 4.505 -13.392 1.00 0.00 C ATOM 538 CZ PHE A 47 13.108 3.337 -13.046 1.00 0.00 C ATOM 0 H PHE A 47 8.633 4.867 -15.641 1.00 0.00 H new ATOM 0 HA PHE A 47 8.825 1.973 -15.111 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.485 4.397 -13.305 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.406 2.742 -12.734 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.438 1.295 -12.832 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.591 5.439 -13.807 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.880 1.265 -12.572 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.033 5.409 -13.551 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.182 3.325 -12.933 1.00 0.00 H new ATOM 548 N GLN A 48 6.409 1.578 -14.439 1.00 0.00 N ATOM 549 CA GLN A 48 4.989 1.338 -14.202 1.00 0.00 C ATOM 550 C GLN A 48 4.774 0.485 -12.959 1.00 0.00 C ATOM 551 O GLN A 48 5.441 -0.535 -12.771 1.00 0.00 O ATOM 552 CB GLN A 48 4.351 0.654 -15.415 1.00 0.00 C ATOM 553 CG GLN A 48 2.852 0.442 -15.292 1.00 0.00 C ATOM 554 CD GLN A 48 2.285 -0.359 -16.449 1.00 0.00 C ATOM 555 OE1 GLN A 48 3.008 -0.742 -17.371 1.00 0.00 O ATOM 556 NE2 GLN A 48 0.981 -0.614 -16.407 1.00 0.00 N ATOM 0 H GLN A 48 7.010 0.776 -14.248 1.00 0.00 H new ATOM 0 HA GLN A 48 4.512 2.305 -14.043 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.550 1.254 -16.303 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.832 -0.312 -15.568 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.636 -0.074 -14.356 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.353 1.410 -15.245 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.420 -0.277 -15.624 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.541 -1.146 -17.158 1.00 0.00 H new ATOM 565 N SER A 49 3.842 0.905 -12.112 1.00 0.00 N ATOM 566 CA SER A 49 3.628 0.258 -10.823 1.00 0.00 C ATOM 567 C SER A 49 2.321 -0.526 -10.811 1.00 0.00 C ATOM 568 O SER A 49 1.378 -0.190 -11.524 1.00 0.00 O ATOM 569 CB SER A 49 3.636 1.290 -9.713 1.00 0.00 C ATOM 570 OG SER A 49 2.593 2.215 -9.847 1.00 0.00 O ATOM 0 H SER A 49 3.221 1.693 -12.295 1.00 0.00 H new ATOM 0 HA SER A 49 4.443 -0.447 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.552 0.787 -8.750 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.590 1.817 -9.715 1.00 0.00 H new ATOM 0 HG SER A 49 2.121 2.056 -10.691 1.00 0.00 H new ATOM 576 N THR A 50 2.275 -1.573 -9.994 1.00 0.00 N ATOM 577 CA THR A 50 1.054 -2.351 -9.817 1.00 0.00 C ATOM 578 C THR A 50 0.913 -2.833 -8.378 1.00 0.00 C ATOM 579 O THR A 50 1.906 -3.086 -7.697 1.00 0.00 O ATOM 580 CB THR A 50 1.017 -3.568 -10.761 1.00 0.00 C ATOM 581 OG1 THR A 50 -0.262 -4.208 -10.670 1.00 0.00 O ATOM 582 CG2 THR A 50 2.106 -4.563 -10.390 1.00 0.00 C ATOM 0 H THR A 50 3.069 -1.902 -9.444 1.00 0.00 H new ATOM 0 HA THR A 50 0.222 -1.690 -10.060 1.00 0.00 H new ATOM 0 HB THR A 50 1.186 -3.223 -11.781 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.578 -4.437 -11.569 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.065 -5.416 -11.067 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.081 -4.082 -10.470 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.953 -4.905 -9.366 1.00 0.00 H new ATOM 590 N VAL A 51 -0.329 -2.959 -7.922 1.00 0.00 N ATOM 591 CA VAL A 51 -0.605 -3.423 -6.567 1.00 0.00 C ATOM 592 C VAL A 51 -1.492 -4.660 -6.579 1.00 0.00 C ATOM 593 O VAL A 51 -2.600 -4.637 -7.114 1.00 0.00 O ATOM 594 CB VAL A 51 -1.279 -2.326 -5.721 1.00 0.00 C ATOM 595 CG1 VAL A 51 -1.596 -2.849 -4.328 1.00 0.00 C ATOM 596 CG2 VAL A 51 -0.390 -1.095 -5.637 1.00 0.00 C ATOM 0 H VAL A 51 -1.161 -2.746 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 51 0.356 -3.675 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.214 -2.043 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.072 -2.062 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.270 -3.702 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.673 -3.159 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.883 -0.331 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.560 -1.363 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.210 -0.707 -6.640 1.00 0.00 H new ATOM 606 N ILE A 52 -0.999 -5.741 -5.982 1.00 0.00 N ATOM 607 CA ILE A 52 -1.758 -6.982 -5.897 1.00 0.00 C ATOM 608 C ILE A 52 -2.348 -7.172 -4.505 1.00 0.00 C ATOM 609 O ILE A 52 -1.621 -7.204 -3.511 1.00 0.00 O ATOM 610 CB ILE A 52 -0.888 -8.203 -6.245 1.00 0.00 C ATOM 611 CG1 ILE A 52 -0.336 -8.076 -7.668 1.00 0.00 C ATOM 612 CG2 ILE A 52 -1.687 -9.488 -6.094 1.00 0.00 C ATOM 613 CD1 ILE A 52 0.722 -9.101 -8.006 1.00 0.00 C ATOM 0 H ILE A 52 -0.076 -5.781 -5.550 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.566 -6.905 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.048 -8.239 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.159 -8.170 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.084 -7.078 -7.797 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.056 -10.341 -6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.033 -9.582 -5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.546 -9.463 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.064 -8.947 -9.029 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.564 -8.994 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.302 -10.102 -7.911 1.00 0.00 H new ATOM 625 N LEU A 53 -3.669 -7.298 -4.439 1.00 0.00 N ATOM 626 CA LEU A 53 -4.361 -7.462 -3.166 1.00 0.00 C ATOM 627 C LEU A 53 -5.433 -8.539 -3.259 1.00 0.00 C ATOM 628 O LEU A 53 -6.300 -8.494 -4.132 1.00 0.00 O ATOM 629 CB LEU A 53 -4.979 -6.130 -2.724 1.00 0.00 C ATOM 630 CG LEU A 53 -5.933 -6.219 -1.526 1.00 0.00 C ATOM 631 CD1 LEU A 53 -5.170 -6.654 -0.281 1.00 0.00 C ATOM 632 CD2 LEU A 53 -6.600 -4.870 -1.305 1.00 0.00 C ATOM 0 H LEU A 53 -4.283 -7.290 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.631 -7.778 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.174 -5.438 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.520 -5.701 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.704 -6.962 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.856 -6.714 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.720 -7.632 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.387 -5.928 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.278 -4.934 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.839 -4.116 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.163 -4.592 -2.196 1.00 0.00 H new ATOM 644 N ASP A 54 -5.372 -9.508 -2.351 1.00 0.00 N ATOM 645 CA ASP A 54 -6.324 -10.612 -2.341 1.00 0.00 C ATOM 646 C ASP A 54 -6.331 -11.344 -3.677 1.00 0.00 C ATOM 647 O ASP A 54 -7.362 -11.859 -4.108 1.00 0.00 O ATOM 648 CB ASP A 54 -7.731 -10.105 -2.013 1.00 0.00 C ATOM 649 CG ASP A 54 -7.885 -9.548 -0.604 1.00 0.00 C ATOM 650 OD1 ASP A 54 -7.491 -10.214 0.324 1.00 0.00 O ATOM 651 OD2 ASP A 54 -8.249 -8.403 -0.477 1.00 0.00 O ATOM 0 H ASP A 54 -4.671 -9.550 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.012 -11.314 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.001 -9.329 -2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.439 -10.923 -2.147 1.00 0.00 H new ATOM 656 N GLY A 55 -5.173 -11.387 -4.329 1.00 0.00 N ATOM 657 CA GLY A 55 -5.024 -12.126 -5.576 1.00 0.00 C ATOM 658 C GLY A 55 -5.496 -11.300 -6.766 1.00 0.00 C ATOM 659 O GLY A 55 -5.470 -11.764 -7.906 1.00 0.00 O ATOM 0 H GLY A 55 -4.324 -10.918 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.979 -12.404 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.596 -13.052 -5.523 1.00 0.00 H new ATOM 663 N VAL A 56 -5.929 -10.074 -6.494 1.00 0.00 N ATOM 664 CA VAL A 56 -6.423 -9.185 -7.540 1.00 0.00 C ATOM 665 C VAL A 56 -5.392 -8.120 -7.890 1.00 0.00 C ATOM 666 O VAL A 56 -5.067 -7.263 -7.067 1.00 0.00 O ATOM 667 CB VAL A 56 -7.736 -8.498 -7.124 1.00 0.00 C ATOM 668 CG1 VAL A 56 -8.237 -7.589 -8.237 1.00 0.00 C ATOM 669 CG2 VAL A 56 -8.791 -9.535 -6.770 1.00 0.00 C ATOM 0 H VAL A 56 -5.948 -9.672 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.611 -9.805 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.541 -7.889 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.166 -7.111 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.489 -6.825 -8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.416 -8.179 -9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.713 -9.031 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.982 -10.169 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.435 -10.148 -5.942 1.00 0.00 H new ATOM 679 N ARG A 57 -4.880 -8.178 -9.113 1.00 0.00 N ATOM 680 CA ARG A 57 -3.837 -7.257 -9.553 1.00 0.00 C ATOM 681 C ARG A 57 -4.433 -5.946 -10.050 1.00 0.00 C ATOM 682 O ARG A 57 -5.330 -5.941 -10.894 1.00 0.00 O ATOM 683 CB ARG A 57 -2.922 -7.883 -10.595 1.00 0.00 C ATOM 684 CG ARG A 57 -1.745 -7.016 -11.014 1.00 0.00 C ATOM 685 CD ARG A 57 -0.811 -7.670 -11.966 1.00 0.00 C ATOM 686 NE ARG A 57 -0.202 -8.892 -11.469 1.00 0.00 N ATOM 687 CZ ARG A 57 0.566 -9.720 -12.205 1.00 0.00 C ATOM 688 NH1 ARG A 57 0.790 -9.482 -13.478 1.00 0.00 N ATOM 689 NH2 ARG A 57 1.069 -10.791 -11.619 1.00 0.00 N ATOM 0 H ARG A 57 -5.170 -8.854 -9.820 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.219 -7.034 -8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.539 -8.825 -10.203 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.512 -8.122 -11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.126 -6.101 -11.468 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.190 -6.722 -10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.349 -7.896 -12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.021 -6.964 -12.223 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.367 -9.141 -10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.380 -8.661 -13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.374 -10.119 -14.021 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.873 -10.973 -10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.654 -11.436 -12.150 1.00 0.00 H new ATOM 703 N TYR A 58 -3.931 -4.836 -9.521 1.00 0.00 N ATOM 704 CA TYR A 58 -4.347 -3.514 -9.975 1.00 0.00 C ATOM 705 C TYR A 58 -3.198 -2.779 -10.652 1.00 0.00 C ATOM 706 O TYR A 58 -2.275 -2.305 -9.989 1.00 0.00 O ATOM 707 CB TYR A 58 -4.881 -2.689 -8.803 1.00 0.00 C ATOM 708 CG TYR A 58 -5.995 -3.365 -8.034 1.00 0.00 C ATOM 709 CD1 TYR A 58 -7.257 -3.508 -8.589 1.00 0.00 C ATOM 710 CD2 TYR A 58 -5.780 -3.856 -6.754 1.00 0.00 C ATOM 711 CE1 TYR A 58 -8.278 -4.124 -7.892 1.00 0.00 C ATOM 712 CE2 TYR A 58 -6.794 -4.475 -6.048 1.00 0.00 C ATOM 713 CZ TYR A 58 -8.042 -4.606 -6.620 1.00 0.00 C ATOM 714 OH TYR A 58 -9.055 -5.221 -5.922 1.00 0.00 O ATOM 0 H TYR A 58 -3.234 -4.825 -8.776 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.145 -3.647 -10.706 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.060 -2.473 -8.119 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.242 -1.732 -9.180 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.445 -3.131 -9.584 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.804 -3.753 -6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.255 -4.228 -8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.610 -4.854 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.723 -5.503 -5.044 1.00 0.00 H new ATOM 724 N ASN A 59 -3.261 -2.685 -11.976 1.00 0.00 N ATOM 725 CA ASN A 59 -2.179 -2.093 -12.754 1.00 0.00 C ATOM 726 C ASN A 59 -2.410 -0.603 -12.974 1.00 0.00 C ATOM 727 O ASN A 59 -3.454 -0.196 -13.484 1.00 0.00 O ATOM 728 CB ASN A 59 -2.002 -2.798 -14.086 1.00 0.00 C ATOM 729 CG ASN A 59 -1.594 -4.240 -13.958 1.00 0.00 C ATOM 730 OD1 ASN A 59 -0.518 -4.557 -13.439 1.00 0.00 O ATOM 731 ND2 ASN A 59 -2.410 -5.107 -14.501 1.00 0.00 N ATOM 0 H ASN A 59 -4.051 -3.012 -12.533 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.263 -2.220 -12.178 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.937 -2.742 -14.643 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.250 -2.268 -14.671 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.169 -6.098 -14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.287 -4.792 -14.916 1.00 0.00 H new ATOM 738 N SER A 60 -1.430 0.206 -12.588 1.00 0.00 N ATOM 739 CA SER A 60 -1.507 1.650 -12.782 1.00 0.00 C ATOM 740 C SER A 60 -1.043 2.043 -14.178 1.00 0.00 C ATOM 741 O SER A 60 -0.603 1.199 -14.958 1.00 0.00 O ATOM 742 CB SER A 60 -0.679 2.362 -11.729 1.00 0.00 C ATOM 743 OG SER A 60 0.693 2.291 -12.003 1.00 0.00 O ATOM 0 H SER A 60 -0.572 -0.113 -12.138 1.00 0.00 H new ATOM 0 HA SER A 60 -2.549 1.953 -12.679 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.984 3.407 -11.674 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.877 1.920 -10.752 1.00 0.00 H new ATOM 0 HG SER A 60 0.952 1.355 -12.138 1.00 0.00 H new ATOM 749 N LEU A 61 -1.145 3.331 -14.488 1.00 0.00 N ATOM 750 CA LEU A 61 -0.699 3.846 -15.778 1.00 0.00 C ATOM 751 C LEU A 61 0.818 3.989 -15.819 1.00 0.00 C ATOM 752 O LEU A 61 1.436 4.425 -14.848 1.00 0.00 O ATOM 753 CB LEU A 61 -1.369 5.194 -16.072 1.00 0.00 C ATOM 754 CG LEU A 61 -2.895 5.144 -16.224 1.00 0.00 C ATOM 755 CD1 LEU A 61 -3.447 6.551 -16.413 1.00 0.00 C ATOM 756 CD2 LEU A 61 -3.258 4.258 -17.407 1.00 0.00 C ATOM 0 H LEU A 61 -1.533 4.038 -13.863 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.991 3.130 -16.547 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.122 5.888 -15.268 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.942 5.602 -16.988 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.338 4.723 -15.321 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.531 6.505 -16.520 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.193 7.161 -15.546 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.012 6.995 -17.309 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.342 4.222 -17.516 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.816 4.666 -18.316 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.877 3.251 -17.238 1.00 0.00 H new ATOM 768 N PRO A 62 1.412 3.618 -16.948 1.00 0.00 N ATOM 769 CA PRO A 62 2.857 3.697 -17.115 1.00 0.00 C ATOM 770 C PRO A 62 3.297 5.119 -17.436 1.00 0.00 C ATOM 771 O PRO A 62 2.495 5.945 -17.871 1.00 0.00 O ATOM 772 CB PRO A 62 3.156 2.725 -18.269 1.00 0.00 C ATOM 773 CG PRO A 62 1.927 2.761 -19.135 1.00 0.00 C ATOM 774 CD PRO A 62 0.784 2.746 -17.950 1.00 0.00 C ATOM 0 HA PRO A 62 3.402 3.432 -16.209 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.041 3.034 -18.826 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.348 1.718 -17.898 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.876 3.653 -19.759 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.855 1.902 -19.802 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.174 3.136 -18.295 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.600 1.742 -17.567 1.00 0.00 H new ATOM 782 N GLY A 63 4.578 5.401 -17.219 1.00 0.00 N ATOM 783 CA GLY A 63 5.158 6.681 -17.605 1.00 0.00 C ATOM 784 C GLY A 63 5.778 7.390 -16.408 1.00 0.00 C ATOM 785 O GLY A 63 5.981 8.603 -16.428 1.00 0.00 O ATOM 0 H GLY A 63 5.235 4.758 -16.777 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.918 6.523 -18.370 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.388 7.314 -18.046 1.00 0.00 H new ATOM 789 N PHE A 64 6.075 6.624 -15.364 1.00 0.00 N ATOM 790 CA PHE A 64 6.718 7.168 -14.173 1.00 0.00 C ATOM 791 C PHE A 64 8.207 7.395 -14.405 1.00 0.00 C ATOM 792 O PHE A 64 8.871 6.594 -15.062 1.00 0.00 O ATOM 793 CB PHE A 64 6.508 6.235 -12.978 1.00 0.00 C ATOM 794 CG PHE A 64 5.083 6.169 -12.505 1.00 0.00 C ATOM 795 CD1 PHE A 64 4.505 7.244 -11.848 1.00 0.00 C ATOM 796 CD2 PHE A 64 4.320 5.032 -12.718 1.00 0.00 C ATOM 797 CE1 PHE A 64 3.195 7.184 -11.411 1.00 0.00 C ATOM 798 CE2 PHE A 64 3.008 4.969 -12.283 1.00 0.00 C ATOM 799 CZ PHE A 64 2.447 6.045 -11.629 1.00 0.00 C ATOM 0 H PHE A 64 5.881 5.624 -15.318 1.00 0.00 H new ATOM 0 HA PHE A 64 6.257 8.131 -13.956 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.838 5.232 -13.249 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.140 6.567 -12.154 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.085 8.139 -11.676 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.754 4.186 -13.229 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.757 8.028 -10.899 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.424 4.077 -12.456 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.423 5.997 -11.288 1.00 0.00 H new ATOM 809 N PHE A 65 8.725 8.490 -13.861 1.00 0.00 N ATOM 810 CA PHE A 65 10.121 8.860 -14.063 1.00 0.00 C ATOM 811 C PHE A 65 10.975 8.467 -12.865 1.00 0.00 C ATOM 812 O PHE A 65 12.203 8.493 -12.930 1.00 0.00 O ATOM 813 CB PHE A 65 10.243 10.363 -14.326 1.00 0.00 C ATOM 814 CG PHE A 65 9.528 10.822 -15.564 1.00 0.00 C ATOM 815 CD1 PHE A 65 10.084 10.623 -16.818 1.00 0.00 C ATOM 816 CD2 PHE A 65 8.295 11.453 -15.477 1.00 0.00 C ATOM 817 CE1 PHE A 65 9.429 11.045 -17.958 1.00 0.00 C ATOM 818 CE2 PHE A 65 7.637 11.876 -16.616 1.00 0.00 C ATOM 819 CZ PHE A 65 8.203 11.672 -17.856 1.00 0.00 C ATOM 0 H PHE A 65 8.198 9.138 -13.276 1.00 0.00 H new ATOM 0 HA PHE A 65 10.487 8.317 -14.934 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.848 10.906 -13.467 1.00 0.00 H new ATOM 0 HB3 PHE A 65 11.298 10.623 -14.410 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.042 10.132 -16.905 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.845 11.615 -14.509 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.875 10.885 -18.928 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.678 12.367 -16.535 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.688 12.002 -18.746 1.00 0.00 H new ATOM 829 N ASN A 66 10.315 8.100 -11.770 1.00 0.00 N ATOM 830 CA ASN A 66 11.012 7.652 -10.570 1.00 0.00 C ATOM 831 C ASN A 66 10.319 6.446 -9.949 1.00 0.00 C ATOM 832 O ASN A 66 9.100 6.304 -10.039 1.00 0.00 O ATOM 833 CB ASN A 66 11.135 8.770 -9.550 1.00 0.00 C ATOM 834 CG ASN A 66 12.058 9.879 -9.975 1.00 0.00 C ATOM 835 OD1 ASN A 66 13.286 9.736 -9.947 1.00 0.00 O ATOM 836 ND2 ASN A 66 11.476 11.008 -10.290 1.00 0.00 N ATOM 0 H ASN A 66 9.298 8.104 -11.690 1.00 0.00 H new ATOM 0 HA ASN A 66 12.016 7.355 -10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.146 9.186 -9.359 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.492 8.353 -8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.040 11.824 -10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.458 11.072 -10.298 1.00 0.00 H new ATOM 843 N ARG A 67 11.105 5.580 -9.317 1.00 0.00 N ATOM 844 CA ARG A 67 10.561 4.426 -8.613 1.00 0.00 C ATOM 845 C ARG A 67 9.747 4.856 -7.400 1.00 0.00 C ATOM 846 O ARG A 67 8.698 4.278 -7.109 1.00 0.00 O ATOM 847 CB ARG A 67 11.642 3.424 -8.232 1.00 0.00 C ATOM 848 CG ARG A 67 12.229 2.643 -9.396 1.00 0.00 C ATOM 849 CD ARG A 67 13.069 1.485 -8.995 1.00 0.00 C ATOM 850 NE ARG A 67 14.285 1.840 -8.282 1.00 0.00 N ATOM 851 CZ ARG A 67 15.454 2.154 -8.873 1.00 0.00 C ATOM 852 NH1 ARG A 67 15.583 2.120 -10.181 1.00 0.00 N ATOM 853 NH2 ARG A 67 16.478 2.473 -8.100 1.00 0.00 N ATOM 0 H ARG A 67 12.121 5.656 -9.279 1.00 0.00 H new ATOM 0 HA ARG A 67 9.889 3.916 -9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.448 3.956 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.226 2.718 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.414 2.285 -10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.829 3.319 -10.005 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.475 0.822 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.338 0.921 -9.888 1.00 0.00 H new ATOM 0 HE ARG A 67 14.251 1.852 -7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.790 1.853 -10.765 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.476 2.361 -10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.370 2.477 -7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.376 2.716 -8.518 1.00 0.00 H new ATOM 867 N LYS A 68 10.233 5.871 -6.695 1.00 0.00 N ATOM 868 CA LYS A 68 9.524 6.413 -5.543 1.00 0.00 C ATOM 869 C LYS A 68 8.192 7.026 -5.955 1.00 0.00 C ATOM 870 O LYS A 68 7.187 6.874 -5.260 1.00 0.00 O ATOM 871 CB LYS A 68 10.385 7.456 -4.827 1.00 0.00 C ATOM 872 CG LYS A 68 11.594 6.884 -4.100 1.00 0.00 C ATOM 873 CD LYS A 68 12.396 7.978 -3.412 1.00 0.00 C ATOM 874 CE LYS A 68 13.621 7.410 -2.712 1.00 0.00 C ATOM 875 NZ LYS A 68 14.431 8.473 -2.058 1.00 0.00 N ATOM 0 H LYS A 68 11.117 6.336 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 68 9.322 5.590 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.729 8.188 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.764 7.990 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.264 6.153 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.231 6.355 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.707 8.721 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.766 8.492 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.306 6.682 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.238 6.877 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.256 8.044 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.753 9.154 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.851 8.965 -1.349 1.00 0.00 H new ATOM 889 N ALA A 69 8.191 7.719 -7.088 1.00 0.00 N ATOM 890 CA ALA A 69 6.969 8.302 -7.628 1.00 0.00 C ATOM 891 C ALA A 69 5.970 7.222 -8.020 1.00 0.00 C ATOM 892 O ALA A 69 4.771 7.351 -7.769 1.00 0.00 O ATOM 893 CB ALA A 69 7.287 9.192 -8.819 1.00 0.00 C ATOM 0 H ALA A 69 9.024 7.891 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 69 6.514 8.912 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.364 9.620 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.954 9.995 -8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.771 8.601 -9.596 1.00 0.00 H new ATOM 899 N ALA A 70 6.468 6.157 -8.637 1.00 0.00 N ATOM 900 CA ALA A 70 5.630 5.025 -9.013 1.00 0.00 C ATOM 901 C ALA A 70 5.032 4.352 -7.785 1.00 0.00 C ATOM 902 O ALA A 70 3.863 3.962 -7.785 1.00 0.00 O ATOM 903 CB ALA A 70 6.427 4.024 -9.833 1.00 0.00 C ATOM 0 H ALA A 70 7.451 6.054 -8.888 1.00 0.00 H new ATOM 0 HA ALA A 70 4.809 5.402 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.787 3.185 -10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.797 4.507 -10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.270 3.661 -9.245 1.00 0.00 H new ATOM 909 N GLU A 71 5.839 4.216 -6.739 1.00 0.00 N ATOM 910 CA GLU A 71 5.388 3.599 -5.497 1.00 0.00 C ATOM 911 C GLU A 71 4.278 4.415 -4.847 1.00 0.00 C ATOM 912 O GLU A 71 3.262 3.870 -4.419 1.00 0.00 O ATOM 913 CB GLU A 71 6.557 3.434 -4.525 1.00 0.00 C ATOM 914 CG GLU A 71 6.195 2.745 -3.216 1.00 0.00 C ATOM 915 CD GLU A 71 7.401 2.581 -2.333 1.00 0.00 C ATOM 916 OE1 GLU A 71 8.467 2.979 -2.736 1.00 0.00 O ATOM 917 OE2 GLU A 71 7.237 2.161 -1.212 1.00 0.00 O ATOM 0 H GLU A 71 6.811 4.525 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 71 4.989 2.614 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.344 2.863 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.969 4.418 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.436 3.327 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.759 1.768 -3.425 1.00 0.00 H new ATOM 924 N GLN A 72 4.479 5.728 -4.778 1.00 0.00 N ATOM 925 CA GLN A 72 3.501 6.622 -4.169 1.00 0.00 C ATOM 926 C GLN A 72 2.164 6.554 -4.895 1.00 0.00 C ATOM 927 O GLN A 72 1.110 6.453 -4.268 1.00 0.00 O ATOM 928 CB GLN A 72 4.018 8.063 -4.172 1.00 0.00 C ATOM 929 CG GLN A 72 3.101 9.054 -3.476 1.00 0.00 C ATOM 930 CD GLN A 72 2.961 8.771 -1.992 1.00 0.00 C ATOM 931 OE1 GLN A 72 3.950 8.526 -1.297 1.00 0.00 O ATOM 932 NE2 GLN A 72 1.727 8.797 -1.500 1.00 0.00 N ATOM 0 H GLN A 72 5.311 6.196 -5.137 1.00 0.00 H new ATOM 0 HA GLN A 72 3.351 6.296 -3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.995 8.088 -3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.164 8.383 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.489 10.063 -3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.117 9.024 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.938 9.004 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.569 8.610 -0.510 1.00 0.00 H new ATOM 941 N SER A 73 2.215 6.609 -6.222 1.00 0.00 N ATOM 942 CA SER A 73 1.008 6.548 -7.038 1.00 0.00 C ATOM 943 C SER A 73 0.333 5.187 -6.923 1.00 0.00 C ATOM 944 O SER A 73 -0.894 5.088 -6.943 1.00 0.00 O ATOM 945 CB SER A 73 1.340 6.853 -8.485 1.00 0.00 C ATOM 946 OG SER A 73 1.782 8.171 -8.658 1.00 0.00 O ATOM 0 H SER A 73 3.080 6.696 -6.755 1.00 0.00 H new ATOM 0 HA SER A 73 0.310 7.300 -6.669 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.110 6.164 -8.833 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.458 6.683 -9.102 1.00 0.00 H new ATOM 0 HG SER A 73 2.743 8.221 -8.471 1.00 0.00 H new ATOM 952 N ALA A 74 1.143 4.141 -6.804 1.00 0.00 N ATOM 953 CA ALA A 74 0.625 2.791 -6.607 1.00 0.00 C ATOM 954 C ALA A 74 -0.229 2.708 -5.348 1.00 0.00 C ATOM 955 O ALA A 74 -1.293 2.089 -5.349 1.00 0.00 O ATOM 956 CB ALA A 74 1.768 1.789 -6.542 1.00 0.00 C ATOM 0 H ALA A 74 2.161 4.201 -6.840 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.009 2.545 -7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.365 0.787 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.332 1.820 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.426 2.041 -5.711 1.00 0.00 H new ATOM 962 N ALA A 75 0.244 3.333 -4.275 1.00 0.00 N ATOM 963 CA ALA A 75 -0.504 3.382 -3.025 1.00 0.00 C ATOM 964 C ALA A 75 -1.794 4.176 -3.185 1.00 0.00 C ATOM 965 O ALA A 75 -2.844 3.782 -2.678 1.00 0.00 O ATOM 966 CB ALA A 75 0.353 3.976 -1.917 1.00 0.00 C ATOM 0 H ALA A 75 1.143 3.813 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.771 2.361 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.220 4.006 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.242 3.361 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.652 4.988 -2.191 1.00 0.00 H new ATOM 972 N GLU A 76 -1.708 5.298 -3.894 1.00 0.00 N ATOM 973 CA GLU A 76 -2.872 6.141 -4.136 1.00 0.00 C ATOM 974 C GLU A 76 -3.957 5.380 -4.885 1.00 0.00 C ATOM 975 O GLU A 76 -5.142 5.500 -4.571 1.00 0.00 O ATOM 976 CB GLU A 76 -2.472 7.393 -4.920 1.00 0.00 C ATOM 977 CG GLU A 76 -1.652 8.398 -4.124 1.00 0.00 C ATOM 978 CD GLU A 76 -1.120 9.491 -5.008 1.00 0.00 C ATOM 979 OE1 GLU A 76 -1.309 9.412 -6.198 1.00 0.00 O ATOM 980 OE2 GLU A 76 -0.625 10.462 -4.485 1.00 0.00 O ATOM 0 H GLU A 76 -0.843 5.644 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.273 6.442 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.901 7.090 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.375 7.884 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.269 8.832 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.823 7.887 -3.634 1.00 0.00 H new ATOM 987 N VAL A 77 -3.548 4.595 -5.876 1.00 0.00 N ATOM 988 CA VAL A 77 -4.484 3.792 -6.655 1.00 0.00 C ATOM 989 C VAL A 77 -5.107 2.693 -5.805 1.00 0.00 C ATOM 990 O VAL A 77 -6.305 2.426 -5.899 1.00 0.00 O ATOM 991 CB VAL A 77 -3.798 3.156 -7.879 1.00 0.00 C ATOM 992 CG1 VAL A 77 -4.725 2.149 -8.544 1.00 0.00 C ATOM 993 CG2 VAL A 77 -3.377 4.228 -8.872 1.00 0.00 C ATOM 0 H VAL A 77 -2.573 4.498 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.267 4.467 -6.999 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.905 2.632 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.225 1.709 -9.407 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.979 1.364 -7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.635 2.652 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.894 3.760 -9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.256 4.780 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.679 4.914 -8.393 1.00 0.00 H new ATOM 1003 N ALA A 78 -4.287 2.058 -4.975 1.00 0.00 N ATOM 1004 CA ALA A 78 -4.767 1.024 -4.065 1.00 0.00 C ATOM 1005 C ALA A 78 -5.833 1.571 -3.124 1.00 0.00 C ATOM 1006 O ALA A 78 -6.816 0.894 -2.823 1.00 0.00 O ATOM 1007 CB ALA A 78 -3.611 0.434 -3.274 1.00 0.00 C ATOM 0 H ALA A 78 -3.285 2.241 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.220 0.234 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.987 -0.336 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.888 -0.006 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.128 1.220 -2.694 1.00 0.00 H new ATOM 1013 N LEU A 79 -5.632 2.800 -2.660 1.00 0.00 N ATOM 1014 CA LEU A 79 -6.595 3.456 -1.785 1.00 0.00 C ATOM 1015 C LEU A 79 -7.869 3.813 -2.537 1.00 0.00 C ATOM 1016 O LEU A 79 -8.964 3.785 -1.975 1.00 0.00 O ATOM 1017 CB LEU A 79 -5.974 4.711 -1.159 1.00 0.00 C ATOM 1018 CG LEU A 79 -4.847 4.449 -0.152 1.00 0.00 C ATOM 1019 CD1 LEU A 79 -4.209 5.765 0.271 1.00 0.00 C ATOM 1020 CD2 LEU A 79 -5.404 3.707 1.054 1.00 0.00 C ATOM 0 H LEU A 79 -4.809 3.362 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.860 2.758 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.586 5.342 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.761 5.276 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.079 3.832 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.410 5.569 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.797 6.268 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.962 6.402 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.602 3.521 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.179 4.311 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.830 2.757 0.732 1.00 0.00 H new ATOM 1032 N ARG A 80 -7.722 4.151 -3.814 1.00 0.00 N ATOM 1033 CA ARG A 80 -8.869 4.394 -4.681 1.00 0.00 C ATOM 1034 C ARG A 80 -9.702 3.131 -4.858 1.00 0.00 C ATOM 1035 O ARG A 80 -10.927 3.193 -4.960 1.00 0.00 O ATOM 1036 CB ARG A 80 -8.461 4.984 -6.022 1.00 0.00 C ATOM 1037 CG ARG A 80 -7.979 6.425 -5.967 1.00 0.00 C ATOM 1038 CD ARG A 80 -7.510 6.964 -7.269 1.00 0.00 C ATOM 1039 NE ARG A 80 -7.036 8.338 -7.217 1.00 0.00 N ATOM 1040 CZ ARG A 80 -6.479 8.995 -8.253 1.00 0.00 C ATOM 1041 NH1 ARG A 80 -6.290 8.400 -9.410 1.00 0.00 N ATOM 1042 NH2 ARG A 80 -6.105 10.249 -8.068 1.00 0.00 N ATOM 0 H ARG A 80 -6.818 4.263 -4.272 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.492 5.139 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.670 4.367 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -9.311 4.926 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.790 7.053 -5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.167 6.496 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.706 6.329 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.326 6.901 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.132 8.840 -6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.566 7.426 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.867 8.912 -10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.241 10.693 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.680 10.773 -8.833 1.00 0.00 H new ATOM 1056 N GLU A 81 -9.031 1.985 -4.894 1.00 0.00 N ATOM 1057 CA GLU A 81 -9.713 0.699 -4.965 1.00 0.00 C ATOM 1058 C GLU A 81 -10.380 0.355 -3.640 1.00 0.00 C ATOM 1059 O GLU A 81 -11.469 -0.218 -3.612 1.00 0.00 O ATOM 1060 CB GLU A 81 -8.732 -0.406 -5.363 1.00 0.00 C ATOM 1061 CG GLU A 81 -8.240 -0.323 -6.800 1.00 0.00 C ATOM 1062 CD GLU A 81 -9.383 -0.383 -7.775 1.00 0.00 C ATOM 1063 OE1 GLU A 81 -10.172 -1.291 -7.680 1.00 0.00 O ATOM 1064 OE2 GLU A 81 -9.533 0.540 -8.541 1.00 0.00 O ATOM 0 H GLU A 81 -8.013 1.921 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.489 0.775 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.872 -0.369 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.212 -1.373 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.686 0.604 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.548 -1.142 -6.997 1.00 0.00 H new ATOM 1071 N LEU A 82 -9.720 0.707 -2.541 1.00 0.00 N ATOM 1072 CA LEU A 82 -10.316 0.583 -1.217 1.00 0.00 C ATOM 1073 C LEU A 82 -11.635 1.338 -1.131 1.00 0.00 C ATOM 1074 O LEU A 82 -12.642 0.799 -0.673 1.00 0.00 O ATOM 1075 CB LEU A 82 -9.340 1.089 -0.147 1.00 0.00 C ATOM 1076 CG LEU A 82 -9.929 1.226 1.262 1.00 0.00 C ATOM 1077 CD1 LEU A 82 -10.381 -0.136 1.774 1.00 0.00 C ATOM 1078 CD2 LEU A 82 -8.889 1.833 2.192 1.00 0.00 C ATOM 0 H LEU A 82 -8.771 1.081 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.523 -0.472 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.489 0.409 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.956 2.060 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.797 1.884 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.798 -0.028 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.141 -0.542 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.528 -0.814 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.309 1.930 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.011 1.187 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.601 2.817 1.823 1.00 0.00 H new ATOM 1090 N ALA A 83 -11.623 2.591 -1.576 1.00 0.00 N ATOM 1091 CA ALA A 83 -12.831 3.406 -1.603 1.00 0.00 C ATOM 1092 C ALA A 83 -13.885 2.796 -2.519 1.00 0.00 C ATOM 1093 O ALA A 83 -15.070 2.769 -2.186 1.00 0.00 O ATOM 1094 CB ALA A 83 -12.504 4.825 -2.042 1.00 0.00 C ATOM 0 H ALA A 83 -10.788 3.064 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.239 3.437 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.417 5.421 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.793 5.267 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.067 4.805 -3.040 1.00 0.00 H new ATOM 1100 N LYS A 84 -13.447 2.308 -3.674 1.00 0.00 N ATOM 1101 CA LYS A 84 -14.350 1.685 -4.635 1.00 0.00 C ATOM 1102 C LYS A 84 -15.077 0.497 -4.018 1.00 0.00 C ATOM 1103 O LYS A 84 -16.265 0.289 -4.264 1.00 0.00 O ATOM 1104 CB LYS A 84 -13.583 1.242 -5.881 1.00 0.00 C ATOM 1105 CG LYS A 84 -14.451 0.616 -6.965 1.00 0.00 C ATOM 1106 CD LYS A 84 -13.633 0.273 -8.201 1.00 0.00 C ATOM 1107 CE LYS A 84 -14.495 -0.377 -9.273 1.00 0.00 C ATOM 1108 NZ LYS A 84 -13.705 -0.728 -10.485 1.00 0.00 N ATOM 0 H LYS A 84 -12.471 2.332 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 84 -15.094 2.428 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.066 2.105 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.818 0.524 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.925 -0.286 -6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.251 1.305 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.175 1.179 -8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.821 -0.400 -7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.959 -1.277 -8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.302 0.301 -9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.329 -1.168 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.283 0.134 -10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.950 -1.395 -10.226 1.00 0.00 H new ATOM 1122 N SER A 85 -14.357 -0.278 -3.214 1.00 0.00 N ATOM 1123 CA SER A 85 -14.916 -1.479 -2.605 1.00 0.00 C ATOM 1124 C SER A 85 -15.573 -1.162 -1.266 1.00 0.00 C ATOM 1125 O SER A 85 -16.190 -2.029 -0.648 1.00 0.00 O ATOM 1126 CB SER A 85 -13.835 -2.526 -2.429 1.00 0.00 C ATOM 1127 OG SER A 85 -12.866 -2.131 -1.498 1.00 0.00 O ATOM 0 H SER A 85 -13.384 -0.095 -2.969 1.00 0.00 H new ATOM 0 HA SER A 85 -15.685 -1.872 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.288 -3.463 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.357 -2.718 -3.390 1.00 0.00 H new ATOM 0 HG SER A 85 -12.941 -1.167 -1.337 1.00 0.00 H new ATOM 1133 N SER A 86 -15.435 0.083 -0.826 1.00 0.00 N ATOM 1134 CA SER A 86 -16.010 0.515 0.443 1.00 0.00 C ATOM 1135 C SER A 86 -17.517 0.697 0.331 1.00 0.00 C ATOM 1136 O SER A 86 -18.232 0.674 1.333 1.00 0.00 O ATOM 1137 CB SER A 86 -15.355 1.803 0.902 1.00 0.00 C ATOM 1138 OG SER A 86 -15.933 2.297 2.079 1.00 0.00 O ATOM 0 H SER A 86 -14.930 0.812 -1.329 1.00 0.00 H new ATOM 0 HA SER A 86 -15.821 -0.262 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.291 1.630 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.439 2.552 0.115 1.00 0.00 H new ATOM 0 HG SER A 86 -15.482 3.126 2.342 1.00 0.00 H new