USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 745 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -2.5 K(o=-2.5,f=-3.2!) USER MOD Single : A 8 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.4!) USER MOD Single : A 11 TYR OH : rot 37:sc= 1.68 USER MOD Single : A 14 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.67) USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= 0.334 (180deg=-1.47) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 42 CYS SG : rot 32:sc= 0.511 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0844 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 84:sc= -0.173! USER MOD Single : A 64 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.8!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -5.6! C(o=-5.6!,f=-11!) USER MOD Single : A 69 THR OG1 : rot -17:sc= 1.02 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -73:sc= 0.925 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0764 USER MOD Single : A 84 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N LEU A 5 116.823 7.059 3.569 1.00 0.00 N ATOM 83 CA LEU A 5 116.971 7.133 5.012 1.00 0.00 C ATOM 84 C LEU A 5 115.618 7.304 5.683 1.00 0.00 C ATOM 85 O LEU A 5 115.183 6.425 6.428 1.00 0.00 O ATOM 86 CB LEU A 5 117.866 8.320 5.390 1.00 0.00 C ATOM 87 CG LEU A 5 117.920 8.527 6.926 1.00 0.00 C ATOM 88 CD1 LEU A 5 116.693 9.290 7.472 1.00 0.00 C ATOM 89 CD2 LEU A 5 118.081 7.175 7.646 1.00 0.00 C ATOM 0 HA LEU A 5 117.426 6.203 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 5 118.873 8.153 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 5 117.491 9.226 4.913 1.00 0.00 H new ATOM 0 HG LEU A 5 118.792 9.149 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 5 116.787 9.405 8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 5 116.639 10.274 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 5 115.786 8.731 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 5 118.117 7.338 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 5 117.235 6.531 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.005 6.697 7.320 1.00 0.00 H new ATOM 101 N SER A 6 114.976 8.441 5.463 1.00 0.00 N ATOM 102 CA SER A 6 113.709 8.698 6.113 1.00 0.00 C ATOM 103 C SER A 6 112.816 7.477 6.033 1.00 0.00 C ATOM 104 O SER A 6 112.111 7.150 6.988 1.00 0.00 O ATOM 105 CB SER A 6 113.025 9.878 5.446 1.00 0.00 C ATOM 106 OG SER A 6 113.838 11.034 5.613 1.00 0.00 O ATOM 0 H SER A 6 115.307 9.186 4.850 1.00 0.00 H new ATOM 0 HA SER A 6 113.892 8.928 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 6 112.871 9.675 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 6 112.041 10.042 5.886 1.00 0.00 H new ATOM 0 HG SER A 6 113.406 11.802 5.184 1.00 0.00 H new ATOM 112 N GLN A 7 112.856 6.812 4.890 1.00 0.00 N ATOM 113 CA GLN A 7 112.046 5.625 4.691 1.00 0.00 C ATOM 114 C GLN A 7 112.200 4.692 5.877 1.00 0.00 C ATOM 115 O GLN A 7 111.234 4.389 6.547 1.00 0.00 O ATOM 116 CB GLN A 7 112.479 4.888 3.424 1.00 0.00 C ATOM 117 CG GLN A 7 111.341 4.002 2.932 1.00 0.00 C ATOM 118 CD GLN A 7 111.817 3.171 1.747 1.00 0.00 C ATOM 119 OE1 GLN A 7 112.616 3.640 0.936 1.00 0.00 O ATOM 120 NE2 GLN A 7 111.370 1.955 1.597 1.00 0.00 N ATOM 0 H GLN A 7 113.436 7.072 4.093 1.00 0.00 H new ATOM 0 HA GLN A 7 111.005 5.933 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 7 112.755 5.605 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 7 113.362 4.283 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 7 111.002 3.348 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 7 110.489 4.616 2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 7 110.708 1.568 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 7 111.682 1.391 0.807 1.00 0.00 H new ATOM 129 N HIS A 8 113.424 4.232 6.122 1.00 0.00 N ATOM 130 CA HIS A 8 113.681 3.315 7.232 1.00 0.00 C ATOM 131 C HIS A 8 113.172 3.887 8.549 1.00 0.00 C ATOM 132 O HIS A 8 112.579 3.177 9.358 1.00 0.00 O ATOM 133 CB HIS A 8 115.185 3.061 7.353 1.00 0.00 C ATOM 134 CG HIS A 8 115.662 2.301 6.144 1.00 0.00 C ATOM 135 ND1 HIS A 8 115.139 1.069 5.784 1.00 0.00 N ATOM 136 CD2 HIS A 8 116.612 2.597 5.199 1.00 0.00 C ATOM 137 CE1 HIS A 8 115.773 0.671 4.665 1.00 0.00 C ATOM 138 NE2 HIS A 8 116.681 1.566 4.266 1.00 0.00 N ATOM 0 H HIS A 8 114.248 4.476 5.573 1.00 0.00 H new ATOM 0 HA HIS A 8 113.154 2.383 7.026 1.00 0.00 H new ATOM 0 HB2 HIS A 8 115.719 4.007 7.436 1.00 0.00 H new ATOM 0 HB3 HIS A 8 115.398 2.495 8.260 1.00 0.00 H new ATOM 0 HD2 HIS A 8 117.214 3.493 5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 8 115.572 -0.258 4.153 1.00 0.00 H new ATOM 0 HE2 HIS A 8 117.293 1.507 3.452 1.00 0.00 H new ATOM 147 N GLU A 9 113.418 5.167 8.764 1.00 0.00 N ATOM 148 CA GLU A 9 112.994 5.812 10.002 1.00 0.00 C ATOM 149 C GLU A 9 111.480 5.740 10.178 1.00 0.00 C ATOM 150 O GLU A 9 110.989 5.135 11.130 1.00 0.00 O ATOM 151 CB GLU A 9 113.422 7.283 9.985 1.00 0.00 C ATOM 152 CG GLU A 9 113.096 7.940 11.328 1.00 0.00 C ATOM 153 CD GLU A 9 113.533 9.400 11.318 1.00 0.00 C ATOM 154 OE1 GLU A 9 113.811 9.911 10.246 1.00 0.00 O ATOM 155 OE2 GLU A 9 113.579 9.988 12.387 1.00 0.00 O ATOM 0 H GLU A 9 113.904 5.778 8.108 1.00 0.00 H new ATOM 0 HA GLU A 9 113.465 5.287 10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 9 114.491 7.357 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 9 112.910 7.810 9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 9 112.026 7.874 11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 9 113.600 7.407 12.134 1.00 0.00 H new ATOM 162 N ARG A 10 110.748 6.371 9.269 1.00 0.00 N ATOM 163 CA ARG A 10 109.296 6.373 9.359 1.00 0.00 C ATOM 164 C ARG A 10 108.743 4.973 9.153 1.00 0.00 C ATOM 165 O ARG A 10 107.854 4.551 9.851 1.00 0.00 O ATOM 166 CB ARG A 10 108.693 7.310 8.316 1.00 0.00 C ATOM 167 CG ARG A 10 109.019 8.759 8.682 1.00 0.00 C ATOM 168 CD ARG A 10 108.291 9.701 7.723 1.00 0.00 C ATOM 169 NE ARG A 10 106.852 9.636 7.960 1.00 0.00 N ATOM 170 CZ ARG A 10 105.997 10.306 7.193 1.00 0.00 C ATOM 171 NH1 ARG A 10 104.715 10.231 7.427 1.00 0.00 N ATOM 172 NH2 ARG A 10 106.439 11.035 6.206 1.00 0.00 N ATOM 0 H ARG A 10 111.130 6.881 8.472 1.00 0.00 H new ATOM 0 HA ARG A 10 109.026 6.722 10.355 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.090 7.075 7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 10 107.613 7.170 8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 10 108.717 8.963 9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.095 8.926 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 10 108.646 10.722 7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 10 108.511 9.426 6.692 1.00 0.00 H new ATOM 0 HE ARG A 10 106.496 9.066 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 10 104.370 9.659 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 10 104.058 10.745 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 10 107.441 11.091 6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 10 105.783 11.549 5.618 1.00 0.00 H new ATOM 186 N TYR A 11 109.272 4.265 8.179 1.00 0.00 N ATOM 187 CA TYR A 11 108.795 2.914 7.892 1.00 0.00 C ATOM 188 C TYR A 11 108.873 2.038 9.138 1.00 0.00 C ATOM 189 O TYR A 11 107.883 1.462 9.572 1.00 0.00 O ATOM 190 CB TYR A 11 109.658 2.285 6.799 1.00 0.00 C ATOM 191 CG TYR A 11 109.222 0.862 6.551 1.00 0.00 C ATOM 192 CD1 TYR A 11 109.740 -0.176 7.334 1.00 0.00 C ATOM 193 CD2 TYR A 11 108.293 0.583 5.542 1.00 0.00 C ATOM 194 CE1 TYR A 11 109.329 -1.495 7.108 1.00 0.00 C ATOM 195 CE2 TYR A 11 107.881 -0.736 5.316 1.00 0.00 C ATOM 196 CZ TYR A 11 108.399 -1.775 6.098 1.00 0.00 C ATOM 197 OH TYR A 11 107.995 -3.076 5.879 1.00 0.00 O ATOM 0 H TYR A 11 110.025 4.591 7.573 1.00 0.00 H new ATOM 0 HA TYR A 11 107.758 2.982 7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 11 109.575 2.865 5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 11 110.707 2.306 7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 11 110.457 0.041 8.112 1.00 0.00 H new ATOM 0 HD2 TYR A 11 107.894 1.385 4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 11 109.729 -2.296 7.712 1.00 0.00 H new ATOM 0 HE2 TYR A 11 107.163 -0.952 4.538 1.00 0.00 H new ATOM 0 HH TYR A 11 107.928 -3.546 6.736 1.00 0.00 H new ATOM 207 N VAL A 12 110.055 1.932 9.715 1.00 0.00 N ATOM 208 CA VAL A 12 110.218 1.096 10.900 1.00 0.00 C ATOM 209 C VAL A 12 109.349 1.571 12.054 1.00 0.00 C ATOM 210 O VAL A 12 108.612 0.786 12.629 1.00 0.00 O ATOM 211 CB VAL A 12 111.675 1.121 11.347 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.800 0.454 12.714 1.00 0.00 C ATOM 213 CG2 VAL A 12 112.526 0.336 10.362 1.00 0.00 C ATOM 0 H VAL A 12 110.902 2.401 9.395 1.00 0.00 H new ATOM 0 HA VAL A 12 109.912 0.085 10.631 1.00 0.00 H new ATOM 0 HB VAL A 12 112.011 2.157 11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.842 0.472 13.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 111.189 0.992 13.439 1.00 0.00 H new ATOM 0 HG13 VAL A 12 111.459 -0.579 12.647 1.00 0.00 H new ATOM 0 HG21 VAL A 12 113.567 0.356 10.684 1.00 0.00 H new ATOM 0 HG22 VAL A 12 112.178 -0.696 10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 12 112.444 0.785 9.372 1.00 0.00 H new ATOM 223 N GLU A 13 109.442 2.851 12.388 1.00 0.00 N ATOM 224 CA GLU A 13 108.663 3.396 13.501 1.00 0.00 C ATOM 225 C GLU A 13 107.167 3.457 13.194 1.00 0.00 C ATOM 226 O GLU A 13 106.346 3.047 14.003 1.00 0.00 O ATOM 227 CB GLU A 13 109.160 4.808 13.810 1.00 0.00 C ATOM 228 CG GLU A 13 110.588 4.741 14.359 1.00 0.00 C ATOM 229 CD GLU A 13 110.581 4.115 15.749 1.00 0.00 C ATOM 230 OE1 GLU A 13 109.501 3.932 16.289 1.00 0.00 O ATOM 231 OE2 GLU A 13 111.654 3.828 16.255 1.00 0.00 O ATOM 0 H GLU A 13 110.040 3.527 11.913 1.00 0.00 H new ATOM 0 HA GLU A 13 108.800 2.731 14.354 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.135 5.419 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 13 108.502 5.285 14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 13 111.217 4.154 13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.017 5.742 14.404 1.00 0.00 H new ATOM 238 N GLN A 14 106.831 3.989 12.035 1.00 0.00 N ATOM 239 CA GLN A 14 105.433 4.127 11.642 1.00 0.00 C ATOM 240 C GLN A 14 104.797 2.770 11.381 1.00 0.00 C ATOM 241 O GLN A 14 103.959 2.313 12.145 1.00 0.00 O ATOM 242 CB GLN A 14 105.322 4.982 10.378 1.00 0.00 C ATOM 243 CG GLN A 14 103.858 5.394 10.164 1.00 0.00 C ATOM 244 CD GLN A 14 103.413 6.354 11.264 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.142 7.283 11.610 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.252 6.182 11.838 1.00 0.00 N ATOM 0 H GLN A 14 107.501 4.333 11.347 1.00 0.00 H new ATOM 0 HA GLN A 14 104.905 4.610 12.464 1.00 0.00 H new ATOM 0 HB2 GLN A 14 105.950 5.868 10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.683 4.423 9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.745 5.869 9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.220 4.510 10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.650 5.411 11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 14 101.948 6.819 12.575 1.00 0.00 H new ATOM 255 N LEU A 15 105.186 2.160 10.267 1.00 0.00 N ATOM 256 CA LEU A 15 104.619 0.873 9.873 1.00 0.00 C ATOM 257 C LEU A 15 104.401 0.001 11.109 1.00 0.00 C ATOM 258 O LEU A 15 103.304 -0.523 11.329 1.00 0.00 O ATOM 259 CB LEU A 15 105.558 0.160 8.895 1.00 0.00 C ATOM 260 CG LEU A 15 104.765 -0.701 7.907 1.00 0.00 C ATOM 261 CD1 LEU A 15 103.855 -1.665 8.674 1.00 0.00 C ATOM 262 CD2 LEU A 15 103.918 0.199 7.001 1.00 0.00 C ATOM 0 H LEU A 15 105.886 2.531 9.624 1.00 0.00 H new ATOM 0 HA LEU A 15 103.661 1.046 9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.149 0.896 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 15 106.259 -0.465 9.448 1.00 0.00 H new ATOM 0 HG LEU A 15 105.460 -1.275 7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 15 103.293 -2.275 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 15 104.462 -2.311 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.162 -1.096 9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.355 -0.417 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.225 0.780 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.570 0.875 6.448 1.00 0.00 H new ATOM 274 N LYS A 16 105.428 -0.121 11.941 1.00 0.00 N ATOM 275 CA LYS A 16 105.290 -0.906 13.156 1.00 0.00 C ATOM 276 C LYS A 16 104.258 -0.293 14.097 1.00 0.00 C ATOM 277 O LYS A 16 103.492 -1.010 14.727 1.00 0.00 O ATOM 278 CB LYS A 16 106.630 -1.032 13.870 1.00 0.00 C ATOM 279 CG LYS A 16 107.563 -1.952 13.070 1.00 0.00 C ATOM 280 CD LYS A 16 108.765 -2.349 13.930 1.00 0.00 C ATOM 281 CE LYS A 16 109.663 -3.305 13.151 1.00 0.00 C ATOM 282 NZ LYS A 16 108.843 -4.396 12.553 1.00 0.00 N ATOM 0 H LYS A 16 106.345 0.304 11.800 1.00 0.00 H new ATOM 0 HA LYS A 16 104.946 -1.899 12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 16 107.085 -0.048 13.984 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.482 -1.433 14.873 1.00 0.00 H new ATOM 0 HG2 LYS A 16 107.023 -2.843 12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 16 107.902 -1.444 12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 16 109.327 -1.461 14.218 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.425 -2.823 14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 16 110.192 -2.764 12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 110.420 -3.727 13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 109.400 -5.274 12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 107.989 -4.544 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 108.567 -4.132 11.586 1.00 0.00 H new ATOM 296 N GLN A 17 104.236 1.030 14.190 1.00 0.00 N ATOM 297 CA GLN A 17 103.275 1.692 15.062 1.00 0.00 C ATOM 298 C GLN A 17 101.852 1.480 14.541 1.00 0.00 C ATOM 299 O GLN A 17 100.991 0.917 15.234 1.00 0.00 O ATOM 300 CB GLN A 17 103.597 3.183 15.131 1.00 0.00 C ATOM 301 CG GLN A 17 104.587 3.449 16.268 1.00 0.00 C ATOM 302 CD GLN A 17 104.967 4.927 16.295 1.00 0.00 C ATOM 303 OE1 GLN A 17 104.450 5.718 15.505 1.00 0.00 O ATOM 304 NE2 GLN A 17 105.838 5.350 17.170 1.00 0.00 N ATOM 0 H GLN A 17 104.861 1.657 13.682 1.00 0.00 H new ATOM 0 HA GLN A 17 103.341 1.263 16.062 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.019 3.517 14.183 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.683 3.755 15.292 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.144 3.162 17.222 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.480 2.838 16.134 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.265 4.693 17.823 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.092 6.337 17.201 1.00 0.00 H new ATOM 313 N ALA A 18 101.613 1.931 13.313 1.00 0.00 N ATOM 314 CA ALA A 18 100.305 1.789 12.699 1.00 0.00 C ATOM 315 C ALA A 18 99.766 0.387 12.951 1.00 0.00 C ATOM 316 O ALA A 18 98.561 0.159 12.909 1.00 0.00 O ATOM 317 CB ALA A 18 100.398 2.049 11.195 1.00 0.00 C ATOM 0 H ALA A 18 102.308 2.396 12.729 1.00 0.00 H new ATOM 0 HA ALA A 18 99.626 2.518 13.141 1.00 0.00 H new ATOM 0 HB1 ALA A 18 99.411 1.940 10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.765 3.061 11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 18 101.084 1.332 10.744 1.00 0.00 H new ATOM 323 N LEU A 19 100.671 -0.540 13.238 1.00 0.00 N ATOM 324 CA LEU A 19 100.270 -1.912 13.547 1.00 0.00 C ATOM 325 C LEU A 19 99.930 -2.048 15.030 1.00 0.00 C ATOM 326 O LEU A 19 98.937 -2.666 15.397 1.00 0.00 O ATOM 327 CB LEU A 19 101.383 -2.885 13.179 1.00 0.00 C ATOM 328 CG LEU A 19 101.273 -3.221 11.694 1.00 0.00 C ATOM 329 CD1 LEU A 19 102.645 -3.594 11.137 1.00 0.00 C ATOM 330 CD2 LEU A 19 100.317 -4.406 11.515 1.00 0.00 C ATOM 0 H LEU A 19 101.677 -0.373 13.264 1.00 0.00 H new ATOM 0 HA LEU A 19 99.383 -2.151 12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 19 102.356 -2.444 13.395 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.304 -3.792 13.778 1.00 0.00 H new ATOM 0 HG LEU A 19 100.894 -2.351 11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 19 102.555 -3.832 10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 19 103.329 -2.755 11.264 1.00 0.00 H new ATOM 0 HD13 LEU A 19 103.031 -4.462 11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 19 100.235 -4.650 10.456 1.00 0.00 H new ATOM 0 HD22 LEU A 19 100.702 -5.269 12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 19 99.334 -4.142 11.904 1.00 0.00 H new ATOM 342 N LYS A 20 100.779 -1.484 15.883 1.00 0.00 N ATOM 343 CA LYS A 20 100.563 -1.571 17.328 1.00 0.00 C ATOM 344 C LYS A 20 99.085 -1.415 17.665 1.00 0.00 C ATOM 345 O LYS A 20 98.554 -2.134 18.509 1.00 0.00 O ATOM 346 CB LYS A 20 101.349 -0.479 18.053 1.00 0.00 C ATOM 347 CG LYS A 20 102.840 -0.803 18.020 1.00 0.00 C ATOM 348 CD LYS A 20 103.614 0.276 18.780 1.00 0.00 C ATOM 349 CE LYS A 20 105.112 0.020 18.638 1.00 0.00 C ATOM 350 NZ LYS A 20 105.870 1.021 19.439 1.00 0.00 N ATOM 0 H LYS A 20 101.614 -0.967 15.606 1.00 0.00 H new ATOM 0 HA LYS A 20 100.908 -2.552 17.655 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.167 0.486 17.581 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.008 -0.398 19.085 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.021 -1.780 18.469 1.00 0.00 H new ATOM 0 HG3 LYS A 20 103.188 -0.857 16.989 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.364 1.262 18.389 1.00 0.00 H new ATOM 0 HD3 LYS A 20 103.331 0.269 19.833 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.352 -0.988 18.976 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.404 0.082 17.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 106.890 0.844 19.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 105.650 1.978 19.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 105.600 0.941 20.440 1.00 0.00 H new ATOM 364 N THR A 21 98.429 -0.478 16.996 1.00 0.00 N ATOM 365 CA THR A 21 97.006 -0.245 17.237 1.00 0.00 C ATOM 366 C THR A 21 96.197 -1.512 16.959 1.00 0.00 C ATOM 367 O THR A 21 95.211 -1.790 17.640 1.00 0.00 O ATOM 368 CB THR A 21 96.499 0.887 16.344 1.00 0.00 C ATOM 369 OG1 THR A 21 95.084 0.821 16.255 1.00 0.00 O ATOM 370 CG2 THR A 21 97.099 0.739 14.954 1.00 0.00 C ATOM 0 H THR A 21 98.849 0.128 16.291 1.00 0.00 H new ATOM 0 HA THR A 21 96.880 0.033 18.283 1.00 0.00 H new ATOM 0 HB THR A 21 96.793 1.847 16.769 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.758 1.547 15.684 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.739 1.545 14.315 1.00 0.00 H new ATOM 0 HG22 THR A 21 98.186 0.786 15.020 1.00 0.00 H new ATOM 0 HG23 THR A 21 96.802 -0.220 14.530 1.00 0.00 H new ATOM 378 N ARG A 22 96.621 -2.276 15.955 1.00 0.00 N ATOM 379 CA ARG A 22 95.926 -3.508 15.597 1.00 0.00 C ATOM 380 C ARG A 22 96.152 -4.574 16.665 1.00 0.00 C ATOM 381 O ARG A 22 95.548 -5.646 16.623 1.00 0.00 O ATOM 382 CB ARG A 22 96.420 -4.020 14.234 1.00 0.00 C ATOM 383 CG ARG A 22 95.681 -3.284 13.112 1.00 0.00 C ATOM 384 CD ARG A 22 94.381 -4.020 12.780 1.00 0.00 C ATOM 385 NE ARG A 22 93.705 -3.358 11.674 1.00 0.00 N ATOM 386 CZ ARG A 22 92.820 -2.390 11.885 1.00 0.00 C ATOM 387 NH1 ARG A 22 92.223 -1.821 10.873 1.00 0.00 N ATOM 388 NH2 ARG A 22 92.549 -2.008 13.102 1.00 0.00 N ATOM 0 H ARG A 22 97.436 -2.065 15.379 1.00 0.00 H new ATOM 0 HA ARG A 22 94.859 -3.297 15.531 1.00 0.00 H new ATOM 0 HB2 ARG A 22 97.494 -3.861 14.142 1.00 0.00 H new ATOM 0 HB3 ARG A 22 96.249 -5.093 14.153 1.00 0.00 H new ATOM 0 HG2 ARG A 22 95.463 -2.261 13.418 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.313 -3.224 12.226 1.00 0.00 H new ATOM 0 HD2 ARG A 22 94.596 -5.056 12.518 1.00 0.00 H new ATOM 0 HD3 ARG A 22 93.731 -4.041 13.655 1.00 0.00 H new ATOM 0 HE ARG A 22 93.915 -3.643 10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 22 92.436 -2.120 9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 22 91.543 -1.078 11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 22 93.017 -2.452 13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 22 91.869 -1.265 13.264 1.00 0.00 H new ATOM 402 N GLY A 23 97.023 -4.272 17.624 1.00 0.00 N ATOM 403 CA GLY A 23 97.313 -5.221 18.699 1.00 0.00 C ATOM 404 C GLY A 23 98.579 -6.017 18.399 1.00 0.00 C ATOM 405 O GLY A 23 98.688 -7.181 18.781 1.00 0.00 O ATOM 0 H GLY A 23 97.535 -3.391 17.681 1.00 0.00 H new ATOM 0 HA2 GLY A 23 97.431 -4.684 19.640 1.00 0.00 H new ATOM 0 HA3 GLY A 23 96.472 -5.903 18.824 1.00 0.00 H new ATOM 409 N VAL A 24 99.532 -5.391 17.711 1.00 0.00 N ATOM 410 CA VAL A 24 100.778 -6.068 17.370 1.00 0.00 C ATOM 411 C VAL A 24 101.911 -5.555 18.255 1.00 0.00 C ATOM 412 O VAL A 24 101.802 -4.482 18.847 1.00 0.00 O ATOM 413 CB VAL A 24 101.126 -5.804 15.911 1.00 0.00 C ATOM 414 CG1 VAL A 24 102.135 -6.846 15.422 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.857 -5.889 15.059 1.00 0.00 C ATOM 0 H VAL A 24 99.466 -4.428 17.383 1.00 0.00 H new ATOM 0 HA VAL A 24 100.650 -7.139 17.529 1.00 0.00 H new ATOM 0 HB VAL A 24 101.562 -4.809 15.821 1.00 0.00 H new ATOM 0 HG11 VAL A 24 102.381 -6.653 14.378 1.00 0.00 H new ATOM 0 HG12 VAL A 24 103.041 -6.786 16.025 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.703 -7.842 15.515 1.00 0.00 H new ATOM 0 HG21 VAL A 24 100.106 -5.700 14.015 1.00 0.00 H new ATOM 0 HG22 VAL A 24 99.421 -6.884 15.154 1.00 0.00 H new ATOM 0 HG23 VAL A 24 99.139 -5.144 15.401 1.00 0.00 H new ATOM 425 N LYS A 25 102.996 -6.326 18.340 1.00 0.00 N ATOM 426 CA LYS A 25 104.139 -5.940 19.154 1.00 0.00 C ATOM 427 C LYS A 25 105.380 -5.776 18.283 1.00 0.00 C ATOM 428 O LYS A 25 105.412 -6.247 17.144 1.00 0.00 O ATOM 429 CB LYS A 25 104.402 -7.005 20.220 1.00 0.00 C ATOM 430 CG LYS A 25 103.215 -7.071 21.181 1.00 0.00 C ATOM 431 CD LYS A 25 103.470 -8.152 22.233 1.00 0.00 C ATOM 432 CE LYS A 25 102.270 -8.237 23.178 1.00 0.00 C ATOM 433 NZ LYS A 25 102.511 -9.303 24.191 1.00 0.00 N ATOM 0 H LYS A 25 103.103 -7.217 17.856 1.00 0.00 H new ATOM 0 HA LYS A 25 103.916 -4.989 19.637 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.556 -7.976 19.749 1.00 0.00 H new ATOM 0 HB3 LYS A 25 105.314 -6.768 20.768 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.071 -6.105 21.665 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.300 -7.292 20.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 103.634 -9.115 21.749 1.00 0.00 H new ATOM 0 HD3 LYS A 25 104.374 -7.921 22.796 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.115 -7.278 23.673 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.363 -8.455 22.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 101.696 -9.362 24.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 102.639 -10.216 23.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 103.367 -9.076 24.737 1.00 0.00 H new ATOM 447 N VAL A 26 106.392 -5.097 18.822 1.00 0.00 N ATOM 448 CA VAL A 26 107.631 -4.866 18.082 1.00 0.00 C ATOM 449 C VAL A 26 108.841 -5.381 18.868 1.00 0.00 C ATOM 450 O VAL A 26 109.265 -4.782 19.857 1.00 0.00 O ATOM 451 CB VAL A 26 107.791 -3.370 17.801 1.00 0.00 C ATOM 452 CG1 VAL A 26 106.518 -2.839 17.159 1.00 0.00 C ATOM 453 CG2 VAL A 26 108.034 -2.619 19.112 1.00 0.00 C ATOM 0 H VAL A 26 106.379 -4.700 19.761 1.00 0.00 H new ATOM 0 HA VAL A 26 107.578 -5.411 17.139 1.00 0.00 H new ATOM 0 HB VAL A 26 108.638 -3.221 17.132 1.00 0.00 H new ATOM 0 HG11 VAL A 26 106.629 -1.774 16.958 1.00 0.00 H new ATOM 0 HG12 VAL A 26 106.334 -3.368 16.224 1.00 0.00 H new ATOM 0 HG13 VAL A 26 105.677 -2.995 17.835 1.00 0.00 H new ATOM 0 HG21 VAL A 26 108.147 -1.555 18.906 1.00 0.00 H new ATOM 0 HG22 VAL A 26 107.187 -2.771 19.781 1.00 0.00 H new ATOM 0 HG23 VAL A 26 108.941 -2.996 19.584 1.00 0.00 H new ATOM 463 N LYS A 27 109.388 -6.503 18.418 1.00 0.00 N ATOM 464 CA LYS A 27 110.546 -7.112 19.071 1.00 0.00 C ATOM 465 C LYS A 27 111.795 -6.994 18.200 1.00 0.00 C ATOM 466 O LYS A 27 111.729 -6.643 17.031 1.00 0.00 O ATOM 467 CB LYS A 27 110.280 -8.579 19.383 1.00 0.00 C ATOM 468 CG LYS A 27 109.710 -9.264 18.146 1.00 0.00 C ATOM 469 CD LYS A 27 109.724 -10.778 18.359 1.00 0.00 C ATOM 470 CE LYS A 27 108.983 -11.468 17.212 1.00 0.00 C ATOM 471 NZ LYS A 27 108.887 -12.928 17.491 1.00 0.00 N ATOM 0 H LYS A 27 109.050 -7.013 17.602 1.00 0.00 H new ATOM 0 HA LYS A 27 110.717 -6.573 20.003 1.00 0.00 H new ATOM 0 HB2 LYS A 27 111.203 -9.070 19.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 109.580 -8.664 20.215 1.00 0.00 H new ATOM 0 HG2 LYS A 27 108.692 -8.920 17.961 1.00 0.00 H new ATOM 0 HG3 LYS A 27 110.299 -9.003 17.267 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.752 -11.138 18.409 1.00 0.00 H new ATOM 0 HD3 LYS A 27 109.252 -11.025 19.310 1.00 0.00 H new ATOM 0 HE2 LYS A 27 107.986 -11.042 17.100 1.00 0.00 H new ATOM 0 HE3 LYS A 27 109.509 -11.300 16.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.383 -13.398 16.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 109.843 -13.329 17.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 108.368 -13.078 18.379 1.00 0.00 H new ATOM 485 N TYR A 28 112.948 -7.283 18.773 1.00 0.00 N ATOM 486 CA TYR A 28 114.183 -7.203 18.012 1.00 0.00 C ATOM 487 C TYR A 28 114.115 -8.142 16.805 1.00 0.00 C ATOM 488 O TYR A 28 114.561 -7.799 15.706 1.00 0.00 O ATOM 489 CB TYR A 28 115.358 -7.592 18.903 1.00 0.00 C ATOM 490 CG TYR A 28 115.522 -6.552 19.986 1.00 0.00 C ATOM 491 CD1 TYR A 28 115.077 -6.817 21.286 1.00 0.00 C ATOM 492 CD2 TYR A 28 116.117 -5.321 19.686 1.00 0.00 C ATOM 493 CE1 TYR A 28 115.229 -5.851 22.288 1.00 0.00 C ATOM 494 CE2 TYR A 28 116.268 -4.354 20.689 1.00 0.00 C ATOM 495 CZ TYR A 28 115.824 -4.620 21.989 1.00 0.00 C ATOM 496 OH TYR A 28 115.973 -3.667 22.977 1.00 0.00 O ATOM 0 H TYR A 28 113.057 -7.571 19.746 1.00 0.00 H new ATOM 0 HA TYR A 28 114.320 -6.181 17.658 1.00 0.00 H new ATOM 0 HB2 TYR A 28 115.185 -8.573 19.346 1.00 0.00 H new ATOM 0 HB3 TYR A 28 116.270 -7.666 18.311 1.00 0.00 H new ATOM 0 HD1 TYR A 28 114.616 -7.766 21.516 1.00 0.00 H new ATOM 0 HD2 TYR A 28 116.459 -5.117 18.682 1.00 0.00 H new ATOM 0 HE1 TYR A 28 114.887 -6.056 23.292 1.00 0.00 H new ATOM 0 HE2 TYR A 28 116.727 -3.404 20.459 1.00 0.00 H new ATOM 0 HH TYR A 28 116.405 -2.872 22.602 1.00 0.00 H new ATOM 506 N ALA A 29 113.541 -9.324 17.021 1.00 0.00 N ATOM 507 CA ALA A 29 113.400 -10.322 15.959 1.00 0.00 C ATOM 508 C ALA A 29 112.480 -9.824 14.849 1.00 0.00 C ATOM 509 O ALA A 29 112.543 -10.300 13.713 1.00 0.00 O ATOM 510 CB ALA A 29 112.854 -11.636 16.526 1.00 0.00 C ATOM 0 H ALA A 29 113.165 -9.616 17.923 1.00 0.00 H new ATOM 0 HA ALA A 29 114.390 -10.494 15.537 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.756 -12.366 15.723 1.00 0.00 H new ATOM 0 HB2 ALA A 29 113.539 -12.019 17.282 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.878 -11.460 16.977 1.00 0.00 H new ATOM 516 N ASP A 30 111.628 -8.866 15.188 1.00 0.00 N ATOM 517 CA ASP A 30 110.692 -8.298 14.213 1.00 0.00 C ATOM 518 C ASP A 30 111.430 -7.445 13.201 1.00 0.00 C ATOM 519 O ASP A 30 111.143 -7.496 12.011 1.00 0.00 O ATOM 520 CB ASP A 30 109.596 -7.467 14.910 1.00 0.00 C ATOM 521 CG ASP A 30 108.456 -8.372 15.384 1.00 0.00 C ATOM 522 OD1 ASP A 30 107.572 -7.866 16.056 1.00 0.00 O ATOM 523 OD2 ASP A 30 108.497 -9.555 15.090 1.00 0.00 O ATOM 0 H ASP A 30 111.561 -8.464 16.123 1.00 0.00 H new ATOM 0 HA ASP A 30 110.211 -9.126 13.692 1.00 0.00 H new ATOM 0 HB2 ASP A 30 110.021 -6.933 15.760 1.00 0.00 H new ATOM 0 HB3 ASP A 30 109.209 -6.715 14.222 1.00 0.00 H new ATOM 528 N LEU A 31 112.387 -6.664 13.671 1.00 0.00 N ATOM 529 CA LEU A 31 113.153 -5.813 12.768 1.00 0.00 C ATOM 530 C LEU A 31 113.955 -6.660 11.792 1.00 0.00 C ATOM 531 O LEU A 31 114.025 -6.365 10.610 1.00 0.00 O ATOM 532 CB LEU A 31 114.119 -4.944 13.578 1.00 0.00 C ATOM 533 CG LEU A 31 113.372 -3.760 14.207 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.688 -4.196 15.510 1.00 0.00 C ATOM 535 CD2 LEU A 31 114.365 -2.634 14.510 1.00 0.00 C ATOM 0 H LEU A 31 112.651 -6.599 14.654 1.00 0.00 H new ATOM 0 HA LEU A 31 112.458 -5.184 12.212 1.00 0.00 H new ATOM 0 HB2 LEU A 31 114.589 -5.542 14.359 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.917 -4.578 12.933 1.00 0.00 H new ATOM 0 HG LEU A 31 112.614 -3.408 13.507 1.00 0.00 H new ATOM 0 HD11 LEU A 31 112.162 -3.347 15.946 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.977 -4.994 15.298 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.439 -4.557 16.212 1.00 0.00 H new ATOM 0 HD21 LEU A 31 113.836 -1.792 14.957 1.00 0.00 H new ATOM 0 HD22 LEU A 31 115.124 -2.995 15.204 1.00 0.00 H new ATOM 0 HD23 LEU A 31 114.843 -2.312 13.585 1.00 0.00 H new ATOM 547 N LEU A 32 114.575 -7.711 12.279 1.00 0.00 N ATOM 548 CA LEU A 32 115.384 -8.539 11.393 1.00 0.00 C ATOM 549 C LEU A 32 114.563 -9.038 10.209 1.00 0.00 C ATOM 550 O LEU A 32 114.984 -8.933 9.059 1.00 0.00 O ATOM 551 CB LEU A 32 115.897 -9.742 12.165 1.00 0.00 C ATOM 552 CG LEU A 32 116.536 -9.269 13.475 1.00 0.00 C ATOM 553 CD1 LEU A 32 117.064 -10.471 14.259 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.694 -8.315 13.168 1.00 0.00 C ATOM 0 H LEU A 32 114.542 -8.012 13.253 1.00 0.00 H new ATOM 0 HA LEU A 32 116.212 -7.935 11.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 115.078 -10.430 12.374 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.627 -10.288 11.567 1.00 0.00 H new ATOM 0 HG LEU A 32 115.784 -8.751 14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 117.517 -10.128 15.189 1.00 0.00 H new ATOM 0 HD12 LEU A 32 116.240 -11.148 14.485 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.811 -10.994 13.663 1.00 0.00 H new ATOM 0 HD21 LEU A 32 118.147 -7.980 14.101 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.442 -8.832 12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 32 117.319 -7.453 12.617 1.00 0.00 H new ATOM 566 N LYS A 33 113.404 -9.606 10.502 1.00 0.00 N ATOM 567 CA LYS A 33 112.538 -10.145 9.453 1.00 0.00 C ATOM 568 C LYS A 33 111.843 -9.037 8.679 1.00 0.00 C ATOM 569 O LYS A 33 111.892 -9.004 7.461 1.00 0.00 O ATOM 570 CB LYS A 33 111.480 -11.061 10.067 1.00 0.00 C ATOM 571 CG LYS A 33 110.632 -11.694 8.955 1.00 0.00 C ATOM 572 CD LYS A 33 109.607 -12.644 9.574 1.00 0.00 C ATOM 573 CE LYS A 33 108.771 -13.287 8.465 1.00 0.00 C ATOM 574 NZ LYS A 33 107.836 -14.286 9.054 1.00 0.00 N ATOM 0 H LYS A 33 113.039 -9.708 11.449 1.00 0.00 H new ATOM 0 HA LYS A 33 113.168 -10.708 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 33 111.960 -11.840 10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.843 -10.493 10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.125 -10.917 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.272 -12.236 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.114 -13.415 10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 33 108.960 -12.100 10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.210 -12.521 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 33 109.424 -13.770 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 107.270 -14.720 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 108.380 -15.023 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.204 -13.813 9.731 1.00 0.00 H new ATOM 588 N PHE A 34 111.173 -8.149 9.395 1.00 0.00 N ATOM 589 CA PHE A 34 110.431 -7.059 8.762 1.00 0.00 C ATOM 590 C PHE A 34 111.338 -6.150 7.934 1.00 0.00 C ATOM 591 O PHE A 34 110.991 -5.752 6.816 1.00 0.00 O ATOM 592 CB PHE A 34 109.726 -6.221 9.840 1.00 0.00 C ATOM 593 CG PHE A 34 108.561 -5.474 9.234 1.00 0.00 C ATOM 594 CD1 PHE A 34 107.495 -6.190 8.674 1.00 0.00 C ATOM 595 CD2 PHE A 34 108.546 -4.074 9.226 1.00 0.00 C ATOM 596 CE1 PHE A 34 106.415 -5.506 8.107 1.00 0.00 C ATOM 597 CE2 PHE A 34 107.464 -3.390 8.658 1.00 0.00 C ATOM 598 CZ PHE A 34 106.399 -4.106 8.099 1.00 0.00 C ATOM 0 H PHE A 34 111.125 -8.157 10.414 1.00 0.00 H new ATOM 0 HA PHE A 34 109.701 -7.508 8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.375 -6.868 10.644 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.430 -5.516 10.283 1.00 0.00 H new ATOM 0 HD1 PHE A 34 107.507 -7.270 8.680 1.00 0.00 H new ATOM 0 HD2 PHE A 34 109.368 -3.522 9.657 1.00 0.00 H new ATOM 0 HE1 PHE A 34 105.593 -6.058 7.675 1.00 0.00 H new ATOM 0 HE2 PHE A 34 107.451 -2.310 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 34 105.565 -3.578 7.661 1.00 0.00 H new ATOM 608 N PHE A 35 112.519 -5.873 8.464 1.00 0.00 N ATOM 609 CA PHE A 35 113.480 -5.041 7.760 1.00 0.00 C ATOM 610 C PHE A 35 114.038 -5.788 6.539 1.00 0.00 C ATOM 611 O PHE A 35 114.144 -5.229 5.445 1.00 0.00 O ATOM 612 CB PHE A 35 114.618 -4.655 8.706 1.00 0.00 C ATOM 613 CG PHE A 35 115.333 -3.443 8.164 1.00 0.00 C ATOM 614 CD1 PHE A 35 116.130 -3.535 7.018 1.00 0.00 C ATOM 615 CD2 PHE A 35 115.179 -2.212 8.813 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.774 -2.396 6.520 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.824 -1.073 8.315 1.00 0.00 C ATOM 618 CZ PHE A 35 116.621 -1.165 7.168 1.00 0.00 C ATOM 0 H PHE A 35 112.833 -6.210 9.374 1.00 0.00 H new ATOM 0 HA PHE A 35 112.980 -4.136 7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 35 114.223 -4.443 9.700 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.316 -5.486 8.811 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.249 -4.485 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 35 114.563 -2.141 9.697 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.389 -2.467 5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 35 115.706 -0.124 8.816 1.00 0.00 H new ATOM 0 HZ PHE A 35 117.118 -0.287 6.783 1.00 0.00 H new ATOM 628 N ASP A 36 114.414 -7.058 6.746 1.00 0.00 N ATOM 629 CA ASP A 36 114.978 -7.870 5.666 1.00 0.00 C ATOM 630 C ASP A 36 113.906 -8.227 4.640 1.00 0.00 C ATOM 631 O ASP A 36 114.213 -8.559 3.494 1.00 0.00 O ATOM 632 CB ASP A 36 115.593 -9.155 6.224 1.00 0.00 C ATOM 633 CG ASP A 36 116.830 -8.824 7.054 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.343 -7.728 6.903 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.241 -9.668 7.832 1.00 0.00 O ATOM 0 H ASP A 36 114.338 -7.538 7.643 1.00 0.00 H new ATOM 0 HA ASP A 36 115.755 -7.281 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 36 114.862 -9.680 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 36 115.862 -9.824 5.407 1.00 0.00 H new ATOM 640 N PHE A 37 112.649 -8.163 5.063 1.00 0.00 N ATOM 641 CA PHE A 37 111.534 -8.490 4.181 1.00 0.00 C ATOM 642 C PHE A 37 111.426 -7.482 3.052 1.00 0.00 C ATOM 643 O PHE A 37 111.520 -7.841 1.879 1.00 0.00 O ATOM 644 CB PHE A 37 110.225 -8.495 4.976 1.00 0.00 C ATOM 645 CG PHE A 37 109.738 -9.915 5.137 1.00 0.00 C ATOM 646 CD1 PHE A 37 110.607 -10.907 5.603 1.00 0.00 C ATOM 647 CD2 PHE A 37 108.413 -10.237 4.818 1.00 0.00 C ATOM 648 CE1 PHE A 37 110.152 -12.224 5.750 1.00 0.00 C ATOM 649 CE2 PHE A 37 107.958 -11.554 4.965 1.00 0.00 C ATOM 650 CZ PHE A 37 108.828 -12.546 5.431 1.00 0.00 C ATOM 0 H PHE A 37 112.376 -7.889 6.007 1.00 0.00 H new ATOM 0 HA PHE A 37 111.714 -9.478 3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.380 -8.039 5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 37 109.472 -7.898 4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 37 111.629 -10.658 5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 37 107.742 -9.471 4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 37 110.823 -12.990 6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 37 106.936 -11.803 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 37 108.477 -13.561 5.545 1.00 0.00 H new ATOM 660 N VAL A 38 111.235 -6.221 3.408 1.00 0.00 N ATOM 661 CA VAL A 38 111.124 -5.175 2.395 1.00 0.00 C ATOM 662 C VAL A 38 112.455 -4.964 1.688 1.00 0.00 C ATOM 663 O VAL A 38 112.499 -4.775 0.480 1.00 0.00 O ATOM 664 CB VAL A 38 110.673 -3.859 3.030 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.139 -3.797 3.071 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.223 -3.784 4.452 1.00 0.00 C ATOM 0 H VAL A 38 111.154 -5.898 4.372 1.00 0.00 H new ATOM 0 HA VAL A 38 110.381 -5.496 1.665 1.00 0.00 H new ATOM 0 HB VAL A 38 111.046 -3.022 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.825 -2.857 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.745 -3.860 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 38 108.757 -4.630 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 38 110.908 -2.849 4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 38 110.843 -4.624 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.312 -3.826 4.424 1.00 0.00 H new ATOM 676 N LYS A 39 113.539 -4.997 2.451 1.00 0.00 N ATOM 677 CA LYS A 39 114.868 -4.789 1.877 1.00 0.00 C ATOM 678 C LYS A 39 115.113 -5.750 0.719 1.00 0.00 C ATOM 679 O LYS A 39 115.798 -5.410 -0.245 1.00 0.00 O ATOM 680 CB LYS A 39 115.933 -5.020 2.947 1.00 0.00 C ATOM 681 CG LYS A 39 117.305 -4.613 2.406 1.00 0.00 C ATOM 682 CD LYS A 39 118.357 -4.810 3.496 1.00 0.00 C ATOM 683 CE LYS A 39 119.727 -4.371 2.971 1.00 0.00 C ATOM 684 NZ LYS A 39 120.758 -4.563 4.031 1.00 0.00 N ATOM 0 H LYS A 39 113.529 -5.163 3.457 1.00 0.00 H new ATOM 0 HA LYS A 39 114.924 -3.765 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.697 -4.441 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 39 115.944 -6.069 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.556 -5.212 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.288 -3.571 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 39 118.092 -4.231 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.390 -5.857 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 39 119.990 -4.950 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.693 -3.324 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.686 -4.264 3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.510 -3.992 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 120.798 -5.567 4.299 1.00 0.00 H new ATOM 698 N ASP A 40 114.563 -6.953 0.821 1.00 0.00 N ATOM 699 CA ASP A 40 114.749 -7.954 -0.225 1.00 0.00 C ATOM 700 C ASP A 40 114.617 -7.328 -1.612 1.00 0.00 C ATOM 701 O ASP A 40 115.578 -7.301 -2.380 1.00 0.00 O ATOM 702 CB ASP A 40 113.699 -9.054 -0.074 1.00 0.00 C ATOM 703 CG ASP A 40 113.969 -9.861 1.192 1.00 0.00 C ATOM 704 OD1 ASP A 40 113.020 -10.390 1.749 1.00 0.00 O ATOM 705 OD2 ASP A 40 115.121 -9.937 1.587 1.00 0.00 O ATOM 0 H ASP A 40 113.990 -7.259 1.608 1.00 0.00 H new ATOM 0 HA ASP A 40 115.750 -8.372 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 40 112.703 -8.614 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 40 113.719 -9.710 -0.945 1.00 0.00 H new ATOM 710 N THR A 41 113.425 -6.824 -1.924 1.00 0.00 N ATOM 711 CA THR A 41 113.178 -6.198 -3.220 1.00 0.00 C ATOM 712 C THR A 41 112.846 -4.714 -3.062 1.00 0.00 C ATOM 713 O THR A 41 112.525 -4.039 -4.039 1.00 0.00 O ATOM 714 CB THR A 41 112.031 -6.914 -3.932 1.00 0.00 C ATOM 715 OG1 THR A 41 110.877 -6.897 -3.104 1.00 0.00 O ATOM 716 CG2 THR A 41 112.437 -8.362 -4.220 1.00 0.00 C ATOM 0 H THR A 41 112.618 -6.837 -1.300 1.00 0.00 H new ATOM 0 HA THR A 41 114.086 -6.282 -3.817 1.00 0.00 H new ATOM 0 HB THR A 41 111.809 -6.407 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.140 -7.354 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.620 -8.875 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.323 -8.372 -4.855 1.00 0.00 H new ATOM 0 HG23 THR A 41 112.658 -8.871 -3.282 1.00 0.00 H new ATOM 724 N CYS A 42 112.899 -4.226 -1.823 1.00 0.00 N ATOM 725 CA CYS A 42 112.573 -2.828 -1.538 1.00 0.00 C ATOM 726 C CYS A 42 111.396 -2.374 -2.389 1.00 0.00 C ATOM 727 O CYS A 42 111.532 -1.495 -3.228 1.00 0.00 O ATOM 728 CB CYS A 42 113.786 -1.944 -1.811 1.00 0.00 C ATOM 729 SG CYS A 42 115.248 -2.695 -1.056 1.00 0.00 S ATOM 0 H CYS A 42 113.163 -4.774 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 42 112.298 -2.741 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 42 113.934 -1.830 -2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 42 113.623 -0.946 -1.404 1.00 0.00 H new ATOM 0 HG CYS A 42 115.131 -3.990 -1.078 1.00 0.00 H new ATOM 735 N PRO A 43 110.248 -2.970 -2.200 1.00 0.00 N ATOM 736 CA PRO A 43 109.020 -2.628 -2.980 1.00 0.00 C ATOM 737 C PRO A 43 108.530 -1.213 -2.692 1.00 0.00 C ATOM 738 O PRO A 43 107.785 -0.629 -3.480 1.00 0.00 O ATOM 739 CB PRO A 43 107.981 -3.665 -2.519 1.00 0.00 C ATOM 740 CG PRO A 43 108.763 -4.736 -1.841 1.00 0.00 C ATOM 741 CD PRO A 43 109.971 -4.045 -1.232 1.00 0.00 C ATOM 0 HA PRO A 43 109.206 -2.655 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.255 -3.218 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 43 107.422 -4.063 -3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.167 -5.229 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.069 -5.505 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 43 109.755 -3.651 -0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 43 110.817 -4.724 -1.128 1.00 0.00 H new ATOM 749 N TRP A 44 108.951 -0.668 -1.556 1.00 0.00 N ATOM 750 CA TRP A 44 108.549 0.682 -1.166 1.00 0.00 C ATOM 751 C TRP A 44 109.211 1.730 -2.063 1.00 0.00 C ATOM 752 O TRP A 44 109.422 2.876 -1.661 1.00 0.00 O ATOM 753 CB TRP A 44 108.917 0.926 0.300 1.00 0.00 C ATOM 754 CG TRP A 44 107.712 0.703 1.151 1.00 0.00 C ATOM 755 CD1 TRP A 44 107.072 1.664 1.858 1.00 0.00 C ATOM 756 CD2 TRP A 44 106.996 -0.539 1.411 1.00 0.00 C ATOM 757 NE1 TRP A 44 106.010 1.091 2.533 1.00 0.00 N ATOM 758 CE2 TRP A 44 105.922 -0.265 2.289 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.173 -1.863 0.971 1.00 0.00 C ATOM 760 CZ2 TRP A 44 105.053 -1.270 2.718 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.301 -2.878 1.401 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.244 -2.581 2.273 1.00 0.00 C ATOM 0 H TRP A 44 109.567 -1.136 -0.891 1.00 0.00 H new ATOM 0 HA TRP A 44 107.469 0.772 -1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 44 109.720 0.254 0.603 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.286 1.943 0.430 1.00 0.00 H new ATOM 0 HD1 TRP A 44 107.346 2.708 1.890 1.00 0.00 H new ATOM 0 HE1 TRP A 44 105.370 1.607 3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 44 107.984 -2.101 0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 104.239 -1.036 3.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.446 -3.892 1.058 1.00 0.00 H new ATOM 0 HH2 TRP A 44 104.578 -3.365 2.601 1.00 0.00 H new ATOM 773 N PHE A 45 109.540 1.330 -3.281 1.00 0.00 N ATOM 774 CA PHE A 45 110.176 2.232 -4.219 1.00 0.00 C ATOM 775 C PHE A 45 111.545 2.670 -3.682 1.00 0.00 C ATOM 776 O PHE A 45 111.622 3.563 -2.846 1.00 0.00 O ATOM 777 CB PHE A 45 109.300 3.456 -4.458 1.00 0.00 C ATOM 778 CG PHE A 45 108.976 3.535 -5.933 1.00 0.00 C ATOM 779 CD1 PHE A 45 107.642 3.489 -6.354 1.00 0.00 C ATOM 780 CD2 PHE A 45 110.004 3.656 -6.876 1.00 0.00 C ATOM 781 CE1 PHE A 45 107.335 3.564 -7.718 1.00 0.00 C ATOM 782 CE2 PHE A 45 109.698 3.732 -8.240 1.00 0.00 C ATOM 783 CZ PHE A 45 108.363 3.686 -8.662 1.00 0.00 C ATOM 0 H PHE A 45 109.377 0.389 -3.639 1.00 0.00 H new ATOM 0 HA PHE A 45 110.313 1.708 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 45 108.383 3.386 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 45 109.816 4.360 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 45 106.849 3.396 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 45 111.033 3.691 -6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 45 106.306 3.528 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 45 110.491 3.826 -8.967 1.00 0.00 H new ATOM 0 HZ PHE A 45 108.126 3.745 -9.714 1.00 0.00 H new ATOM 793 N PRO A 46 112.616 2.056 -4.123 1.00 0.00 N ATOM 794 CA PRO A 46 113.983 2.396 -3.642 1.00 0.00 C ATOM 795 C PRO A 46 114.473 3.732 -4.186 1.00 0.00 C ATOM 796 O PRO A 46 115.545 4.206 -3.809 1.00 0.00 O ATOM 797 CB PRO A 46 114.848 1.241 -4.147 1.00 0.00 C ATOM 798 CG PRO A 46 114.129 0.680 -5.322 1.00 0.00 C ATOM 799 CD PRO A 46 112.648 0.978 -5.128 1.00 0.00 C ATOM 0 HA PRO A 46 114.016 2.511 -2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 46 115.842 1.590 -4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 46 114.982 0.485 -3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 46 114.494 1.128 -6.246 1.00 0.00 H new ATOM 0 HG3 PRO A 46 114.298 -0.394 -5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 46 112.181 1.292 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 46 112.108 0.097 -4.782 1.00 0.00 H new ATOM 807 N GLN A 47 113.695 4.334 -5.082 1.00 0.00 N ATOM 808 CA GLN A 47 114.098 5.608 -5.660 1.00 0.00 C ATOM 809 C GLN A 47 113.709 6.766 -4.747 1.00 0.00 C ATOM 810 O GLN A 47 114.563 7.517 -4.277 1.00 0.00 O ATOM 811 CB GLN A 47 113.406 5.782 -7.012 1.00 0.00 C ATOM 812 CG GLN A 47 113.896 4.699 -7.977 1.00 0.00 C ATOM 813 CD GLN A 47 113.159 4.810 -9.309 1.00 0.00 C ATOM 814 OE1 GLN A 47 112.349 5.717 -9.496 1.00 0.00 O ATOM 815 NE2 GLN A 47 113.396 3.938 -10.250 1.00 0.00 N ATOM 0 H GLN A 47 112.803 3.969 -5.416 1.00 0.00 H new ATOM 0 HA GLN A 47 115.181 5.610 -5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 47 112.325 5.715 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 47 113.620 6.771 -7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 47 114.969 4.802 -8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 47 113.732 3.713 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 47 114.068 3.187 -10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 47 112.909 4.007 -11.144 1.00 0.00 H new ATOM 824 N GLU A 48 112.412 6.886 -4.484 1.00 0.00 N ATOM 825 CA GLU A 48 111.913 7.942 -3.600 1.00 0.00 C ATOM 826 C GLU A 48 111.773 7.439 -2.168 1.00 0.00 C ATOM 827 O GLU A 48 111.989 8.182 -1.213 1.00 0.00 O ATOM 828 CB GLU A 48 110.566 8.470 -4.109 1.00 0.00 C ATOM 829 CG GLU A 48 110.037 9.571 -3.175 1.00 0.00 C ATOM 830 CD GLU A 48 110.979 10.772 -3.195 1.00 0.00 C ATOM 831 OE1 GLU A 48 111.755 10.873 -4.132 1.00 0.00 O ATOM 832 OE2 GLU A 48 110.900 11.580 -2.285 1.00 0.00 O ATOM 0 H GLU A 48 111.691 6.273 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 48 112.638 8.756 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 48 110.680 8.864 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 48 109.846 7.654 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 48 109.039 9.876 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 48 109.948 9.186 -2.159 1.00 0.00 H new ATOM 839 N GLY A 49 111.365 6.182 -2.036 1.00 0.00 N ATOM 840 CA GLY A 49 111.148 5.593 -0.718 1.00 0.00 C ATOM 841 C GLY A 49 109.712 5.835 -0.253 1.00 0.00 C ATOM 842 O GLY A 49 109.479 6.554 0.718 1.00 0.00 O ATOM 0 H GLY A 49 111.179 5.554 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 49 111.349 4.522 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 49 111.846 6.025 -0.001 1.00 0.00 H new ATOM 846 N THR A 50 108.751 5.236 -0.959 1.00 0.00 N ATOM 847 CA THR A 50 107.342 5.400 -0.618 1.00 0.00 C ATOM 848 C THR A 50 106.600 4.076 -0.746 1.00 0.00 C ATOM 849 O THR A 50 107.131 3.102 -1.276 1.00 0.00 O ATOM 850 CB THR A 50 106.693 6.432 -1.541 1.00 0.00 C ATOM 851 OG1 THR A 50 105.421 6.794 -1.020 1.00 0.00 O ATOM 852 CG2 THR A 50 106.524 5.830 -2.940 1.00 0.00 C ATOM 0 H THR A 50 108.924 4.636 -1.766 1.00 0.00 H new ATOM 0 HA THR A 50 107.281 5.744 0.415 1.00 0.00 H new ATOM 0 HB THR A 50 107.325 7.318 -1.603 1.00 0.00 H new ATOM 0 HG1 THR A 50 105.003 7.457 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 50 106.061 6.565 -3.599 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.500 5.551 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.890 4.945 -2.881 1.00 0.00 H new ATOM 860 N ILE A 51 105.368 4.045 -0.264 1.00 0.00 N ATOM 861 CA ILE A 51 104.573 2.831 -0.335 1.00 0.00 C ATOM 862 C ILE A 51 103.959 2.685 -1.723 1.00 0.00 C ATOM 863 O ILE A 51 103.556 3.671 -2.341 1.00 0.00 O ATOM 864 CB ILE A 51 103.455 2.873 0.700 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.950 3.567 1.965 1.00 0.00 C ATOM 866 CG2 ILE A 51 103.019 1.452 1.041 1.00 0.00 C ATOM 867 CD1 ILE A 51 103.017 3.255 3.134 1.00 0.00 C ATOM 0 H ILE A 51 104.901 4.838 0.176 1.00 0.00 H new ATOM 0 HA ILE A 51 105.225 1.981 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 51 102.609 3.425 0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.962 3.236 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.996 4.644 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 51 102.220 1.484 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.659 0.956 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.866 0.899 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.379 3.755 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 51 102.012 3.608 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.993 2.178 3.303 1.00 0.00 H new ATOM 879 N ASP A 52 103.877 1.453 -2.204 1.00 0.00 N ATOM 880 CA ASP A 52 103.297 1.186 -3.515 1.00 0.00 C ATOM 881 C ASP A 52 102.387 -0.039 -3.458 1.00 0.00 C ATOM 882 O ASP A 52 102.812 -1.123 -3.067 1.00 0.00 O ATOM 883 CB ASP A 52 104.409 0.936 -4.523 1.00 0.00 C ATOM 884 CG ASP A 52 103.816 0.630 -5.896 1.00 0.00 C ATOM 885 OD1 ASP A 52 104.583 0.449 -6.827 1.00 0.00 O ATOM 886 OD2 ASP A 52 102.601 0.584 -5.994 1.00 0.00 O ATOM 0 H ASP A 52 104.203 0.623 -1.709 1.00 0.00 H new ATOM 0 HA ASP A 52 102.708 2.052 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 52 105.057 1.810 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 52 105.029 0.103 -4.192 1.00 0.00 H new ATOM 891 N ILE A 53 101.135 0.151 -3.857 1.00 0.00 N ATOM 892 CA ILE A 53 100.157 -0.934 -3.851 1.00 0.00 C ATOM 893 C ILE A 53 100.467 -1.976 -4.921 1.00 0.00 C ATOM 894 O ILE A 53 100.348 -3.175 -4.683 1.00 0.00 O ATOM 895 CB ILE A 53 98.746 -0.378 -4.071 1.00 0.00 C ATOM 896 CG1 ILE A 53 98.491 0.759 -3.062 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.721 -1.506 -3.870 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.719 0.254 -1.626 1.00 0.00 C ATOM 0 H ILE A 53 100.772 1.045 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 53 100.212 -1.419 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 53 98.649 0.013 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 53 99.156 1.597 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 53 97.471 1.128 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.715 -1.116 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.915 -2.305 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.805 -1.898 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.536 1.065 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 53 98.036 -0.569 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.747 -0.093 -1.521 1.00 0.00 H new ATOM 910 N LYS A 54 100.854 -1.513 -6.103 1.00 0.00 N ATOM 911 CA LYS A 54 101.158 -2.422 -7.208 1.00 0.00 C ATOM 912 C LYS A 54 102.320 -3.353 -6.854 1.00 0.00 C ATOM 913 O LYS A 54 102.196 -4.587 -6.894 1.00 0.00 O ATOM 914 CB LYS A 54 101.536 -1.591 -8.438 1.00 0.00 C ATOM 915 CG LYS A 54 100.465 -0.523 -8.715 1.00 0.00 C ATOM 916 CD LYS A 54 99.148 -1.188 -9.118 1.00 0.00 C ATOM 917 CE LYS A 54 98.218 -0.147 -9.738 1.00 0.00 C ATOM 918 NZ LYS A 54 96.904 -0.784 -10.033 1.00 0.00 N ATOM 0 H LYS A 54 100.965 -0.523 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 54 100.279 -3.034 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 54 102.502 -1.113 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 54 101.642 -2.242 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 54 100.314 0.090 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 54 100.802 0.143 -9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 54 99.337 -1.991 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 54 98.675 -1.640 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 54 98.085 0.692 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 54 98.656 0.252 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 96.265 -0.081 -10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 97.041 -1.571 -10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 96.487 -1.145 -9.151 1.00 0.00 H new ATOM 932 N ARG A 55 103.445 -2.761 -6.490 1.00 0.00 N ATOM 933 CA ARG A 55 104.614 -3.545 -6.124 1.00 0.00 C ATOM 934 C ARG A 55 104.333 -4.368 -4.877 1.00 0.00 C ATOM 935 O ARG A 55 104.847 -5.473 -4.732 1.00 0.00 O ATOM 936 CB ARG A 55 105.826 -2.640 -5.895 1.00 0.00 C ATOM 937 CG ARG A 55 106.317 -2.090 -7.233 1.00 0.00 C ATOM 938 CD ARG A 55 107.506 -1.159 -6.992 1.00 0.00 C ATOM 939 NE ARG A 55 108.029 -0.669 -8.262 1.00 0.00 N ATOM 940 CZ ARG A 55 109.217 -0.077 -8.332 1.00 0.00 C ATOM 941 NH1 ARG A 55 109.666 0.348 -9.482 1.00 0.00 N ATOM 942 NH2 ARG A 55 109.933 0.079 -7.252 1.00 0.00 N ATOM 0 H ARG A 55 103.574 -1.750 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 55 104.839 -4.221 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 55 105.559 -1.819 -5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 55 106.623 -3.200 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 55 106.609 -2.909 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 55 105.514 -1.550 -7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 55 107.199 -0.319 -6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 55 108.288 -1.690 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 55 107.474 -0.782 -9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 55 109.105 0.226 -10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 55 110.577 0.802 -9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 55 109.581 -0.253 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 55 110.845 0.533 -7.306 1.00 0.00 H new ATOM 956 N TRP A 56 103.516 -3.822 -3.977 1.00 0.00 N ATOM 957 CA TRP A 56 103.187 -4.520 -2.744 1.00 0.00 C ATOM 958 C TRP A 56 102.581 -5.884 -3.048 1.00 0.00 C ATOM 959 O TRP A 56 102.848 -6.869 -2.356 1.00 0.00 O ATOM 960 CB TRP A 56 102.209 -3.695 -1.913 1.00 0.00 C ATOM 961 CG TRP A 56 101.656 -4.533 -0.807 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.342 -4.792 -0.620 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.366 -5.224 0.262 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.199 -5.595 0.496 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.417 -5.889 1.075 1.00 0.00 C ATOM 966 CE3 TRP A 56 103.726 -5.335 0.603 1.00 0.00 C ATOM 967 CZ2 TRP A 56 101.805 -6.639 2.186 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.120 -6.089 1.721 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.161 -6.740 2.511 1.00 0.00 C ATOM 0 H TRP A 56 103.076 -2.908 -4.080 1.00 0.00 H new ATOM 0 HA TRP A 56 104.106 -4.662 -2.176 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.714 -2.821 -1.502 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.399 -3.329 -2.544 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.536 -4.430 -1.241 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.302 -5.930 0.849 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.472 -4.837 0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.063 -7.138 2.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.167 -6.168 1.974 1.00 0.00 H new ATOM 0 HH2 TRP A 56 103.470 -7.318 3.369 1.00 0.00 H new ATOM 980 N ARG A 57 101.756 -5.933 -4.085 1.00 0.00 N ATOM 981 CA ARG A 57 101.119 -7.185 -4.476 1.00 0.00 C ATOM 982 C ARG A 57 102.165 -8.172 -4.972 1.00 0.00 C ATOM 983 O ARG A 57 102.090 -9.366 -4.683 1.00 0.00 O ATOM 984 CB ARG A 57 100.081 -6.949 -5.579 1.00 0.00 C ATOM 985 CG ARG A 57 98.893 -6.186 -4.995 1.00 0.00 C ATOM 986 CD ARG A 57 97.847 -5.963 -6.085 1.00 0.00 C ATOM 987 NE ARG A 57 98.332 -5.003 -7.067 1.00 0.00 N ATOM 988 CZ ARG A 57 97.619 -4.712 -8.149 1.00 0.00 C ATOM 989 NH1 ARG A 57 98.070 -3.844 -9.014 1.00 0.00 N ATOM 990 NH2 ARG A 57 96.468 -5.295 -8.349 1.00 0.00 N ATOM 0 H ARG A 57 101.513 -5.130 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 57 100.615 -7.595 -3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 57 100.525 -6.383 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.749 -7.901 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 57 98.458 -6.747 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 57 99.224 -5.229 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 57 97.616 -6.909 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 57 96.920 -5.600 -5.640 1.00 0.00 H new ATOM 0 HE ARG A 57 99.233 -4.547 -6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 57 98.970 -3.390 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 57 97.522 -3.620 -9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 57 96.116 -5.974 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 57 95.921 -5.071 -9.180 1.00 0.00 H new ATOM 1004 N ARG A 58 103.139 -7.670 -5.726 1.00 0.00 N ATOM 1005 CA ARG A 58 104.192 -8.537 -6.257 1.00 0.00 C ATOM 1006 C ARG A 58 104.977 -9.211 -5.133 1.00 0.00 C ATOM 1007 O ARG A 58 105.133 -10.427 -5.120 1.00 0.00 O ATOM 1008 CB ARG A 58 105.156 -7.716 -7.109 1.00 0.00 C ATOM 1009 CG ARG A 58 104.476 -7.333 -8.424 1.00 0.00 C ATOM 1010 CD ARG A 58 105.423 -6.467 -9.255 1.00 0.00 C ATOM 1011 NE ARG A 58 104.824 -6.165 -10.550 1.00 0.00 N ATOM 1012 CZ ARG A 58 105.560 -5.702 -11.556 1.00 0.00 C ATOM 1013 NH1 ARG A 58 105.005 -5.449 -12.708 1.00 0.00 N ATOM 1014 NH2 ARG A 58 106.839 -5.503 -11.389 1.00 0.00 N ATOM 0 H ARG A 58 103.223 -6.686 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 58 103.715 -9.308 -6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 58 105.461 -6.819 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 58 106.061 -8.290 -7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 58 104.205 -8.230 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 58 103.552 -6.791 -8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 58 105.642 -5.541 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 58 106.371 -6.985 -9.397 1.00 0.00 H new ATOM 0 HE ARG A 58 103.824 -6.311 -10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 58 104.006 -5.606 -12.838 1.00 0.00 H new ATOM 0 HH12 ARG A 58 105.570 -5.094 -13.479 1.00 0.00 H new ATOM 0 HH21 ARG A 58 107.273 -5.703 -10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 58 107.405 -5.148 -12.160 1.00 0.00 H new ATOM 1028 N VAL A 59 105.455 -8.412 -4.189 1.00 0.00 N ATOM 1029 CA VAL A 59 106.218 -8.947 -3.055 1.00 0.00 C ATOM 1030 C VAL A 59 105.339 -9.859 -2.203 1.00 0.00 C ATOM 1031 O VAL A 59 105.780 -10.915 -1.754 1.00 0.00 O ATOM 1032 CB VAL A 59 106.756 -7.794 -2.194 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.611 -6.861 -1.822 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.379 -8.351 -0.915 1.00 0.00 C ATOM 0 H VAL A 59 105.333 -7.399 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 59 107.055 -9.528 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 59 107.510 -7.248 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 59 105.992 -6.043 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 59 105.161 -6.457 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 59 104.859 -7.414 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 59 107.759 -7.529 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.624 -8.900 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.199 -9.022 -1.172 1.00 0.00 H new ATOM 1044 N GLY A 60 104.101 -9.441 -1.979 1.00 0.00 N ATOM 1045 CA GLY A 60 103.176 -10.228 -1.172 1.00 0.00 C ATOM 1046 C GLY A 60 102.915 -11.587 -1.808 1.00 0.00 C ATOM 1047 O GLY A 60 102.960 -12.614 -1.136 1.00 0.00 O ATOM 0 H GLY A 60 103.715 -8.569 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.586 -10.364 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.236 -9.688 -1.060 1.00 0.00 H new ATOM 1051 N ASP A 61 102.639 -11.587 -3.107 1.00 0.00 N ATOM 1052 CA ASP A 61 102.368 -12.831 -3.823 1.00 0.00 C ATOM 1053 C ASP A 61 103.644 -13.655 -3.976 1.00 0.00 C ATOM 1054 O ASP A 61 103.615 -14.881 -3.888 1.00 0.00 O ATOM 1055 CB ASP A 61 101.786 -12.518 -5.206 1.00 0.00 C ATOM 1056 CG ASP A 61 100.270 -12.308 -5.112 1.00 0.00 C ATOM 1057 OD1 ASP A 61 99.676 -11.955 -6.117 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.733 -12.495 -4.033 1.00 0.00 O ATOM 0 H ASP A 61 102.597 -10.747 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 61 101.647 -13.411 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 61 102.259 -11.624 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 61 102.005 -13.335 -5.893 1.00 0.00 H new ATOM 1063 N CYS A 62 104.756 -12.971 -4.208 1.00 0.00 N ATOM 1064 CA CYS A 62 106.040 -13.644 -4.378 1.00 0.00 C ATOM 1065 C CYS A 62 106.482 -14.323 -3.082 1.00 0.00 C ATOM 1066 O CYS A 62 107.010 -15.437 -3.102 1.00 0.00 O ATOM 1067 CB CYS A 62 107.110 -12.640 -4.810 1.00 0.00 C ATOM 1068 SG CYS A 62 106.759 -12.062 -6.489 1.00 0.00 S ATOM 0 H CYS A 62 104.797 -11.955 -4.283 1.00 0.00 H new ATOM 0 HA CYS A 62 105.917 -14.405 -5.149 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.130 -11.796 -4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 62 108.095 -13.105 -4.773 1.00 0.00 H new ATOM 0 HG CYS A 62 105.897 -11.090 -6.442 1.00 0.00 H new ATOM 1074 N PHE A 63 106.244 -13.656 -1.957 1.00 0.00 N ATOM 1075 CA PHE A 63 106.612 -14.208 -0.661 1.00 0.00 C ATOM 1076 C PHE A 63 105.547 -15.177 -0.162 1.00 0.00 C ATOM 1077 O PHE A 63 105.862 -16.231 0.381 1.00 0.00 O ATOM 1078 CB PHE A 63 106.801 -13.074 0.345 1.00 0.00 C ATOM 1079 CG PHE A 63 108.192 -12.500 0.198 1.00 0.00 C ATOM 1080 CD1 PHE A 63 109.081 -12.533 1.280 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.592 -11.935 -1.020 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.369 -12.001 1.143 1.00 0.00 C ATOM 1083 CE2 PHE A 63 109.880 -11.404 -1.155 1.00 0.00 C ATOM 1084 CZ PHE A 63 110.768 -11.436 -0.074 1.00 0.00 C ATOM 0 H PHE A 63 105.801 -12.738 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 63 107.548 -14.757 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.055 -12.297 0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.654 -13.444 1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 63 108.773 -12.968 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 63 107.907 -11.909 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 63 111.055 -12.027 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.189 -10.969 -2.094 1.00 0.00 H new ATOM 0 HZ PHE A 63 111.761 -11.025 -0.179 1.00 0.00 H new ATOM 1094 N GLN A 64 104.288 -14.802 -0.336 1.00 0.00 N ATOM 1095 CA GLN A 64 103.183 -15.644 0.112 1.00 0.00 C ATOM 1096 C GLN A 64 103.188 -16.972 -0.624 1.00 0.00 C ATOM 1097 O GLN A 64 103.015 -18.028 -0.019 1.00 0.00 O ATOM 1098 CB GLN A 64 101.849 -14.929 -0.117 1.00 0.00 C ATOM 1099 CG GLN A 64 100.699 -15.826 0.348 1.00 0.00 C ATOM 1100 CD GLN A 64 99.390 -15.046 0.330 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.401 -13.814 0.310 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.255 -15.690 0.341 1.00 0.00 N ATOM 0 H GLN A 64 104.005 -13.928 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 64 103.309 -15.836 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 64 101.832 -13.986 0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.731 -14.688 -1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 64 100.621 -16.698 -0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 64 100.898 -16.195 1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 64 98.247 -16.710 0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.375 -15.174 0.333 1.00 0.00 H new ATOM 1111 N ASP A 65 103.390 -16.916 -1.931 1.00 0.00 N ATOM 1112 CA ASP A 65 103.419 -18.128 -2.737 1.00 0.00 C ATOM 1113 C ASP A 65 104.583 -19.022 -2.326 1.00 0.00 C ATOM 1114 O ASP A 65 104.395 -20.199 -2.022 1.00 0.00 O ATOM 1115 CB ASP A 65 103.563 -17.756 -4.205 1.00 0.00 C ATOM 1116 CG ASP A 65 103.855 -19.003 -5.032 1.00 0.00 C ATOM 1117 OD1 ASP A 65 103.015 -19.888 -5.054 1.00 0.00 O ATOM 1118 OD2 ASP A 65 104.919 -19.059 -5.627 1.00 0.00 O ATOM 0 H ASP A 65 103.535 -16.052 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 65 102.488 -18.673 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.649 -17.280 -4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.368 -17.031 -4.328 1.00 0.00 H new ATOM 1123 N TYR A 66 105.787 -18.456 -2.314 1.00 0.00 N ATOM 1124 CA TYR A 66 106.971 -19.220 -1.935 1.00 0.00 C ATOM 1125 C TYR A 66 106.856 -19.726 -0.501 1.00 0.00 C ATOM 1126 O TYR A 66 107.156 -20.885 -0.215 1.00 0.00 O ATOM 1127 CB TYR A 66 108.220 -18.343 -2.070 1.00 0.00 C ATOM 1128 CG TYR A 66 109.407 -19.049 -1.460 1.00 0.00 C ATOM 1129 CD1 TYR A 66 110.313 -19.741 -2.273 1.00 0.00 C ATOM 1130 CD2 TYR A 66 109.600 -19.012 -0.073 1.00 0.00 C ATOM 1131 CE1 TYR A 66 111.410 -20.396 -1.700 1.00 0.00 C ATOM 1132 CE2 TYR A 66 110.697 -19.667 0.500 1.00 0.00 C ATOM 1133 CZ TYR A 66 111.601 -20.360 -0.314 1.00 0.00 C ATOM 1134 OH TYR A 66 112.682 -21.006 0.251 1.00 0.00 O ATOM 0 H TYR A 66 105.967 -17.482 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 66 107.052 -20.079 -2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.413 -18.128 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 66 108.059 -17.386 -1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 66 110.166 -19.770 -3.343 1.00 0.00 H new ATOM 0 HD2 TYR A 66 108.902 -18.478 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 66 112.109 -20.929 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 66 110.846 -19.638 1.569 1.00 0.00 H new ATOM 0 HH TYR A 66 112.666 -20.881 1.223 1.00 0.00 H new ATOM 1144 N TYR A 67 106.433 -18.846 0.394 1.00 0.00 N ATOM 1145 CA TYR A 67 106.294 -19.203 1.799 1.00 0.00 C ATOM 1146 C TYR A 67 105.258 -20.305 1.976 1.00 0.00 C ATOM 1147 O TYR A 67 105.481 -21.265 2.708 1.00 0.00 O ATOM 1148 CB TYR A 67 105.881 -17.975 2.616 1.00 0.00 C ATOM 1149 CG TYR A 67 105.868 -18.323 4.086 1.00 0.00 C ATOM 1150 CD1 TYR A 67 107.062 -18.678 4.727 1.00 0.00 C ATOM 1151 CD2 TYR A 67 104.669 -18.294 4.808 1.00 0.00 C ATOM 1152 CE1 TYR A 67 107.056 -19.003 6.089 1.00 0.00 C ATOM 1153 CE2 TYR A 67 104.663 -18.618 6.170 1.00 0.00 C ATOM 1154 CZ TYR A 67 105.856 -18.972 6.810 1.00 0.00 C ATOM 1155 OH TYR A 67 105.850 -19.292 8.153 1.00 0.00 O ATOM 0 H TYR A 67 106.181 -17.882 0.174 1.00 0.00 H new ATOM 0 HA TYR A 67 107.258 -19.568 2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 67 106.574 -17.154 2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 67 104.894 -17.634 2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 67 107.987 -18.701 4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 67 103.748 -18.022 4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 67 107.976 -19.277 6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 67 103.738 -18.595 6.727 1.00 0.00 H new ATOM 0 HH TYR A 67 104.937 -19.220 8.502 1.00 0.00 H new ATOM 1165 N ASN A 68 104.120 -20.151 1.310 1.00 0.00 N ATOM 1166 CA ASN A 68 103.050 -21.136 1.413 1.00 0.00 C ATOM 1167 C ASN A 68 103.497 -22.483 0.844 1.00 0.00 C ATOM 1168 O ASN A 68 103.198 -23.534 1.407 1.00 0.00 O ATOM 1169 CB ASN A 68 101.822 -20.648 0.640 1.00 0.00 C ATOM 1170 CG ASN A 68 101.226 -19.425 1.324 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.719 -18.998 2.368 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.187 -18.833 0.800 1.00 0.00 N ATOM 0 H ASN A 68 103.915 -19.361 0.698 1.00 0.00 H new ATOM 0 HA ASN A 68 102.801 -21.262 2.467 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.102 -20.401 -0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.078 -21.442 0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.782 -18.015 1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.780 -19.188 -0.065 1.00 0.00 H new ATOM 1179 N THR A 69 104.212 -22.441 -0.278 1.00 0.00 N ATOM 1180 CA THR A 69 104.688 -23.666 -0.915 1.00 0.00 C ATOM 1181 C THR A 69 105.685 -24.378 -0.014 1.00 0.00 C ATOM 1182 O THR A 69 105.767 -25.606 -0.018 1.00 0.00 O ATOM 1183 CB THR A 69 105.338 -23.345 -2.265 1.00 0.00 C ATOM 1184 OG1 THR A 69 106.426 -22.459 -2.062 1.00 0.00 O ATOM 1185 CG2 THR A 69 104.315 -22.682 -3.185 1.00 0.00 C ATOM 0 H THR A 69 104.472 -21.581 -0.761 1.00 0.00 H new ATOM 0 HA THR A 69 103.834 -24.323 -1.082 1.00 0.00 H new ATOM 0 HB THR A 69 105.693 -24.268 -2.723 1.00 0.00 H new ATOM 0 HG1 THR A 69 106.351 -22.047 -1.176 1.00 0.00 H new ATOM 0 HG21 THR A 69 104.781 -22.455 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 69 103.474 -23.358 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 69 103.959 -21.759 -2.728 1.00 0.00 H new ATOM 1193 N PHE A 70 106.434 -23.600 0.763 1.00 0.00 N ATOM 1194 CA PHE A 70 107.419 -24.171 1.672 1.00 0.00 C ATOM 1195 C PHE A 70 106.988 -23.976 3.118 1.00 0.00 C ATOM 1196 O PHE A 70 107.779 -24.166 4.043 1.00 0.00 O ATOM 1197 CB PHE A 70 108.787 -23.519 1.456 1.00 0.00 C ATOM 1198 CG PHE A 70 109.296 -23.841 0.068 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.506 -22.814 -0.861 1.00 0.00 C ATOM 1200 CD2 PHE A 70 109.552 -25.171 -0.288 1.00 0.00 C ATOM 1201 CE1 PHE A 70 109.971 -23.118 -2.146 1.00 0.00 C ATOM 1202 CE2 PHE A 70 110.017 -25.474 -1.573 1.00 0.00 C ATOM 1203 CZ PHE A 70 110.227 -24.447 -2.502 1.00 0.00 C ATOM 0 H PHE A 70 106.378 -22.582 0.781 1.00 0.00 H new ATOM 0 HA PHE A 70 107.493 -25.238 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 70 108.709 -22.439 1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 70 109.493 -23.878 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 70 109.309 -21.788 -0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 70 109.391 -25.963 0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 70 110.132 -22.327 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 70 110.214 -26.500 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 70 110.587 -24.681 -3.493 1.00 0.00 H new ATOM 1213 N GLY A 71 105.731 -23.591 3.303 1.00 0.00 N ATOM 1214 CA GLY A 71 105.198 -23.362 4.639 1.00 0.00 C ATOM 1215 C GLY A 71 103.894 -24.133 4.852 1.00 0.00 C ATOM 1216 O GLY A 71 103.599 -25.081 4.123 1.00 0.00 O ATOM 0 H GLY A 71 105.065 -23.431 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 71 105.932 -23.670 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 71 105.022 -22.296 4.786 1.00 0.00 H new ATOM 1220 N PRO A 72 103.119 -23.747 5.834 1.00 0.00 N ATOM 1221 CA PRO A 72 101.827 -24.406 6.158 1.00 0.00 C ATOM 1222 C PRO A 72 100.703 -23.962 5.225 1.00 0.00 C ATOM 1223 O PRO A 72 100.783 -22.904 4.601 1.00 0.00 O ATOM 1224 CB PRO A 72 101.559 -23.978 7.600 1.00 0.00 C ATOM 1225 CG PRO A 72 102.260 -22.670 7.771 1.00 0.00 C ATOM 1226 CD PRO A 72 103.388 -22.619 6.736 1.00 0.00 C ATOM 0 HA PRO A 72 101.872 -25.488 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 72 100.490 -23.876 7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 72 101.936 -24.719 8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.567 -21.841 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.660 -22.578 8.781 1.00 0.00 H new ATOM 0 HD2 PRO A 72 103.388 -21.672 6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.365 -22.715 7.210 1.00 0.00 H new ATOM 1234 N GLU A 73 99.651 -24.770 5.138 1.00 0.00 N ATOM 1235 CA GLU A 73 98.518 -24.446 4.287 1.00 0.00 C ATOM 1236 C GLU A 73 97.716 -23.293 4.872 1.00 0.00 C ATOM 1237 O GLU A 73 97.120 -22.498 4.144 1.00 0.00 O ATOM 1238 CB GLU A 73 97.623 -25.672 4.141 1.00 0.00 C ATOM 1239 CG GLU A 73 98.290 -26.685 3.204 1.00 0.00 C ATOM 1240 CD GLU A 73 97.481 -27.977 3.162 1.00 0.00 C ATOM 1241 OE1 GLU A 73 97.946 -28.923 2.548 1.00 0.00 O ATOM 1242 OE2 GLU A 73 96.413 -28.006 3.751 1.00 0.00 O ATOM 0 H GLU A 73 99.562 -25.650 5.646 1.00 0.00 H new ATOM 0 HA GLU A 73 98.892 -24.145 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 73 97.447 -26.125 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 73 96.650 -25.380 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 73 98.371 -26.265 2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 73 99.304 -26.893 3.545 1.00 0.00 H new ATOM 1249 N LYS A 74 97.684 -23.228 6.194 1.00 0.00 N ATOM 1250 CA LYS A 74 96.928 -22.186 6.884 1.00 0.00 C ATOM 1251 C LYS A 74 97.479 -20.810 6.547 1.00 0.00 C ATOM 1252 O LYS A 74 96.729 -19.877 6.268 1.00 0.00 O ATOM 1253 CB LYS A 74 96.995 -22.398 8.402 1.00 0.00 C ATOM 1254 CG LYS A 74 96.876 -23.897 8.715 1.00 0.00 C ATOM 1255 CD LYS A 74 95.673 -24.483 7.976 1.00 0.00 C ATOM 1256 CE LYS A 74 95.347 -25.863 8.543 1.00 0.00 C ATOM 1257 NZ LYS A 74 94.107 -26.379 7.900 1.00 0.00 N ATOM 0 H LYS A 74 98.169 -23.879 6.811 1.00 0.00 H new ATOM 0 HA LYS A 74 95.891 -22.246 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 74 97.934 -22.007 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 74 96.192 -21.848 8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 74 97.787 -24.415 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 74 96.764 -24.046 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 74 94.812 -23.823 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 74 95.889 -24.558 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 74 96.176 -26.548 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 74 95.212 -25.803 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 93.882 -27.319 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 93.319 -25.728 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 94.253 -26.451 6.873 1.00 0.00 H new ATOM 1271 N VAL A 75 98.793 -20.705 6.571 1.00 0.00 N ATOM 1272 CA VAL A 75 99.465 -19.454 6.265 1.00 0.00 C ATOM 1273 C VAL A 75 99.044 -18.345 7.244 1.00 0.00 C ATOM 1274 O VAL A 75 97.848 -18.148 7.469 1.00 0.00 O ATOM 1275 CB VAL A 75 99.151 -19.014 4.833 1.00 0.00 C ATOM 1276 CG1 VAL A 75 100.037 -17.818 4.462 1.00 0.00 C ATOM 1277 CG2 VAL A 75 99.456 -20.170 3.879 1.00 0.00 C ATOM 0 H VAL A 75 99.421 -21.475 6.801 1.00 0.00 H new ATOM 0 HA VAL A 75 100.537 -19.622 6.366 1.00 0.00 H new ATOM 0 HB VAL A 75 98.101 -18.732 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 75 99.815 -17.503 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 75 99.841 -16.993 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 75 101.086 -18.106 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 75 99.235 -19.865 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 75 100.509 -20.439 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 75 98.841 -21.031 4.142 1.00 0.00 H new ATOM 1287 N PRO A 76 99.975 -17.604 7.815 1.00 0.00 N ATOM 1288 CA PRO A 76 99.635 -16.501 8.759 1.00 0.00 C ATOM 1289 C PRO A 76 98.590 -15.551 8.173 1.00 0.00 C ATOM 1290 O PRO A 76 98.759 -15.019 7.077 1.00 0.00 O ATOM 1291 CB PRO A 76 100.968 -15.772 8.957 1.00 0.00 C ATOM 1292 CG PRO A 76 102.028 -16.771 8.640 1.00 0.00 C ATOM 1293 CD PRO A 76 101.431 -17.737 7.636 1.00 0.00 C ATOM 0 HA PRO A 76 99.201 -16.875 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 76 101.040 -14.904 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 76 101.067 -15.408 9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 76 102.910 -16.281 8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 76 102.346 -17.296 9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 76 101.730 -17.486 6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 76 101.762 -18.759 7.823 1.00 0.00 H new ATOM 1301 N VAL A 77 97.520 -15.339 8.926 1.00 0.00 N ATOM 1302 CA VAL A 77 96.445 -14.441 8.499 1.00 0.00 C ATOM 1303 C VAL A 77 96.795 -12.997 8.822 1.00 0.00 C ATOM 1304 O VAL A 77 96.284 -12.076 8.203 1.00 0.00 O ATOM 1305 CB VAL A 77 95.134 -14.835 9.182 1.00 0.00 C ATOM 1306 CG1 VAL A 77 93.993 -13.952 8.662 1.00 0.00 C ATOM 1307 CG2 VAL A 77 94.812 -16.322 8.888 1.00 0.00 C ATOM 0 H VAL A 77 97.369 -15.774 9.836 1.00 0.00 H new ATOM 0 HA VAL A 77 96.323 -14.531 7.420 1.00 0.00 H new ATOM 0 HB VAL A 77 95.239 -14.696 10.258 1.00 0.00 H new ATOM 0 HG11 VAL A 77 93.061 -14.236 9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 77 94.213 -12.907 8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 77 93.892 -14.084 7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 77 93.877 -16.596 9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 77 94.714 -16.467 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 77 95.618 -16.951 9.267 1.00 0.00 H new ATOM 1317 N THR A 78 97.661 -12.803 9.802 1.00 0.00 N ATOM 1318 CA THR A 78 98.049 -11.456 10.190 1.00 0.00 C ATOM 1319 C THR A 78 98.404 -10.636 8.953 1.00 0.00 C ATOM 1320 O THR A 78 98.279 -9.413 8.950 1.00 0.00 O ATOM 1321 CB THR A 78 99.246 -11.518 11.137 1.00 0.00 C ATOM 1322 OG1 THR A 78 100.413 -11.855 10.399 1.00 0.00 O ATOM 1323 CG2 THR A 78 98.996 -12.588 12.203 1.00 0.00 C ATOM 0 H THR A 78 98.104 -13.549 10.338 1.00 0.00 H new ATOM 0 HA THR A 78 97.213 -10.977 10.700 1.00 0.00 H new ATOM 0 HB THR A 78 99.382 -10.549 11.616 1.00 0.00 H new ATOM 0 HG1 THR A 78 101.183 -11.894 11.004 1.00 0.00 H new ATOM 0 HG21 THR A 78 99.849 -12.634 12.880 1.00 0.00 H new ATOM 0 HG22 THR A 78 98.098 -12.336 12.768 1.00 0.00 H new ATOM 0 HG23 THR A 78 98.862 -13.557 11.722 1.00 0.00 H new ATOM 1331 N ALA A 79 98.855 -11.318 7.904 1.00 0.00 N ATOM 1332 CA ALA A 79 99.234 -10.646 6.665 1.00 0.00 C ATOM 1333 C ALA A 79 98.043 -9.905 6.049 1.00 0.00 C ATOM 1334 O ALA A 79 98.209 -8.941 5.290 1.00 0.00 O ATOM 1335 CB ALA A 79 99.750 -11.676 5.666 1.00 0.00 C ATOM 0 H ALA A 79 98.967 -12.332 7.887 1.00 0.00 H new ATOM 0 HA ALA A 79 100.013 -9.919 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.033 -11.175 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 79 100.619 -12.185 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 79 98.967 -12.406 5.459 1.00 0.00 H new ATOM 1341 N PHE A 80 96.844 -10.351 6.399 1.00 0.00 N ATOM 1342 CA PHE A 80 95.626 -9.732 5.893 1.00 0.00 C ATOM 1343 C PHE A 80 95.481 -8.312 6.428 1.00 0.00 C ATOM 1344 O PHE A 80 95.033 -7.413 5.716 1.00 0.00 O ATOM 1345 CB PHE A 80 94.402 -10.568 6.297 1.00 0.00 C ATOM 1346 CG PHE A 80 94.257 -11.741 5.356 1.00 0.00 C ATOM 1347 CD1 PHE A 80 93.126 -11.843 4.538 1.00 0.00 C ATOM 1348 CD2 PHE A 80 95.251 -12.725 5.301 1.00 0.00 C ATOM 1349 CE1 PHE A 80 92.989 -12.929 3.665 1.00 0.00 C ATOM 1350 CE2 PHE A 80 95.114 -13.810 4.428 1.00 0.00 C ATOM 1351 CZ PHE A 80 93.983 -13.913 3.610 1.00 0.00 C ATOM 0 H PHE A 80 96.689 -11.137 7.030 1.00 0.00 H new ATOM 0 HA PHE A 80 95.689 -9.690 4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 80 94.513 -10.922 7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 80 93.503 -9.952 6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 80 92.359 -11.084 4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 80 96.124 -12.647 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 80 92.116 -13.008 3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 80 95.882 -14.569 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 80 93.877 -14.751 2.937 1.00 0.00 H new ATOM 1361 N SER A 81 95.865 -8.113 7.686 1.00 0.00 N ATOM 1362 CA SER A 81 95.775 -6.794 8.300 1.00 0.00 C ATOM 1363 C SER A 81 96.744 -5.825 7.634 1.00 0.00 C ATOM 1364 O SER A 81 96.457 -4.635 7.506 1.00 0.00 O ATOM 1365 CB SER A 81 96.092 -6.891 9.791 1.00 0.00 C ATOM 1366 OG SER A 81 97.403 -7.419 9.958 1.00 0.00 O ATOM 0 H SER A 81 96.238 -8.842 8.294 1.00 0.00 H new ATOM 0 HA SER A 81 94.759 -6.421 8.168 1.00 0.00 H new ATOM 0 HB2 SER A 81 96.022 -5.907 10.255 1.00 0.00 H new ATOM 0 HB3 SER A 81 95.363 -7.531 10.289 1.00 0.00 H new ATOM 0 HG SER A 81 97.400 -8.376 9.746 1.00 0.00 H new ATOM 1372 N TYR A 82 97.896 -6.340 7.211 1.00 0.00 N ATOM 1373 CA TYR A 82 98.897 -5.501 6.561 1.00 0.00 C ATOM 1374 C TYR A 82 98.328 -4.861 5.308 1.00 0.00 C ATOM 1375 O TYR A 82 98.445 -3.656 5.115 1.00 0.00 O ATOM 1376 CB TYR A 82 100.113 -6.338 6.173 1.00 0.00 C ATOM 1377 CG TYR A 82 101.074 -6.403 7.328 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.125 -5.482 7.400 1.00 0.00 C ATOM 1379 CD2 TYR A 82 100.917 -7.368 8.330 1.00 0.00 C ATOM 1380 CE1 TYR A 82 103.021 -5.527 8.475 1.00 0.00 C ATOM 1381 CE2 TYR A 82 101.813 -7.412 9.405 1.00 0.00 C ATOM 1382 CZ TYR A 82 102.865 -6.491 9.478 1.00 0.00 C ATOM 1383 OH TYR A 82 103.752 -6.541 10.536 1.00 0.00 O ATOM 0 H TYR A 82 98.157 -7.322 7.305 1.00 0.00 H new ATOM 0 HA TYR A 82 99.190 -4.722 7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 82 99.800 -7.343 5.891 1.00 0.00 H new ATOM 0 HB3 TYR A 82 100.604 -5.902 5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 82 102.245 -4.737 6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 82 100.105 -8.078 8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 82 103.833 -4.817 8.530 1.00 0.00 H new ATOM 0 HE2 TYR A 82 101.693 -8.157 10.178 1.00 0.00 H new ATOM 0 HH TYR A 82 103.498 -7.268 11.142 1.00 0.00 H new ATOM 1393 N TRP A 83 97.715 -5.674 4.457 1.00 0.00 N ATOM 1394 CA TRP A 83 97.143 -5.156 3.217 1.00 0.00 C ATOM 1395 C TRP A 83 96.092 -4.094 3.506 1.00 0.00 C ATOM 1396 O TRP A 83 96.099 -3.031 2.896 1.00 0.00 O ATOM 1397 CB TRP A 83 96.505 -6.291 2.419 1.00 0.00 C ATOM 1398 CG TRP A 83 95.826 -5.731 1.208 1.00 0.00 C ATOM 1399 CD1 TRP A 83 96.457 -5.151 0.163 1.00 0.00 C ATOM 1400 CD2 TRP A 83 94.402 -5.697 0.896 1.00 0.00 C ATOM 1401 NE1 TRP A 83 95.514 -4.763 -0.771 1.00 0.00 N ATOM 1402 CE2 TRP A 83 94.233 -5.078 -0.365 1.00 0.00 C ATOM 1403 CE3 TRP A 83 93.253 -6.139 1.578 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 92.968 -4.904 -0.930 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 91.980 -5.965 1.011 1.00 0.00 C ATOM 1406 CH2 TRP A 83 91.838 -5.348 -0.239 1.00 0.00 C ATOM 0 H TRP A 83 97.601 -6.678 4.597 1.00 0.00 H new ATOM 0 HA TRP A 83 97.949 -4.706 2.637 1.00 0.00 H new ATOM 0 HB2 TRP A 83 97.266 -7.013 2.121 1.00 0.00 H new ATOM 0 HB3 TRP A 83 95.784 -6.825 3.039 1.00 0.00 H new ATOM 0 HD1 TRP A 83 97.524 -5.013 0.072 1.00 0.00 H new ATOM 0 HE1 TRP A 83 95.738 -4.301 -1.652 1.00 0.00 H new ATOM 0 HE3 TRP A 83 93.351 -6.615 2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 92.864 -4.429 -1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 91.105 -6.309 1.542 1.00 0.00 H new ATOM 0 HH2 TRP A 83 90.856 -5.216 -0.668 1.00 0.00 H new ATOM 1417 N ASN A 84 95.189 -4.390 4.430 1.00 0.00 N ATOM 1418 CA ASN A 84 94.129 -3.448 4.778 1.00 0.00 C ATOM 1419 C ASN A 84 94.703 -2.155 5.357 1.00 0.00 C ATOM 1420 O ASN A 84 94.232 -1.060 5.039 1.00 0.00 O ATOM 1421 CB ASN A 84 93.189 -4.086 5.803 1.00 0.00 C ATOM 1422 CG ASN A 84 92.286 -5.111 5.125 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.107 -5.073 3.908 1.00 0.00 O ATOM 1424 ND2 ASN A 84 91.705 -6.031 5.843 1.00 0.00 N ATOM 0 H ASN A 84 95.167 -5.267 4.950 1.00 0.00 H new ATOM 0 HA ASN A 84 93.582 -3.205 3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 84 93.770 -4.567 6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 84 92.583 -3.316 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.101 -6.721 5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.855 -6.061 6.852 1.00 0.00 H new ATOM 1431 N LEU A 85 95.720 -2.279 6.205 1.00 0.00 N ATOM 1432 CA LEU A 85 96.325 -1.111 6.811 1.00 0.00 C ATOM 1433 C LEU A 85 97.087 -0.296 5.777 1.00 0.00 C ATOM 1434 O LEU A 85 96.762 0.860 5.526 1.00 0.00 O ATOM 1435 CB LEU A 85 97.281 -1.554 7.921 1.00 0.00 C ATOM 1436 CG LEU A 85 97.861 -0.324 8.626 1.00 0.00 C ATOM 1437 CD1 LEU A 85 96.740 0.456 9.321 1.00 0.00 C ATOM 1438 CD2 LEU A 85 98.893 -0.774 9.662 1.00 0.00 C ATOM 0 H LEU A 85 96.135 -3.169 6.482 1.00 0.00 H new ATOM 0 HA LEU A 85 95.535 -0.486 7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 85 96.753 -2.181 8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.086 -2.158 7.501 1.00 0.00 H new ATOM 0 HG LEU A 85 98.339 0.322 7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.160 1.329 9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.008 0.778 8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.254 -0.184 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.308 0.099 10.166 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.413 -1.422 10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.694 -1.320 9.164 1.00 0.00 H new ATOM 1450 N ILE A 86 98.105 -0.903 5.185 1.00 0.00 N ATOM 1451 CA ILE A 86 98.911 -0.213 4.189 1.00 0.00 C ATOM 1452 C ILE A 86 98.024 0.329 3.080 1.00 0.00 C ATOM 1453 O ILE A 86 98.291 1.396 2.509 1.00 0.00 O ATOM 1454 CB ILE A 86 99.967 -1.181 3.620 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.314 -0.952 4.328 1.00 0.00 C ATOM 1456 CG2 ILE A 86 100.155 -0.950 2.118 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.106 -2.260 4.362 1.00 0.00 C ATOM 0 H ILE A 86 98.391 -1.864 5.375 1.00 0.00 H new ATOM 0 HA ILE A 86 99.422 0.629 4.657 1.00 0.00 H new ATOM 0 HB ILE A 86 99.623 -2.202 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.884 -0.184 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.146 -0.591 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.904 -1.643 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 86 99.209 -1.117 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.486 0.074 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.059 -2.095 4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.537 -3.016 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.287 -2.602 3.343 1.00 0.00 H new ATOM 1469 N LYS A 87 96.967 -0.411 2.771 1.00 0.00 N ATOM 1470 CA LYS A 87 96.054 -0.005 1.718 1.00 0.00 C ATOM 1471 C LYS A 87 95.497 1.370 1.991 1.00 0.00 C ATOM 1472 O LYS A 87 95.496 2.229 1.109 1.00 0.00 O ATOM 1473 CB LYS A 87 94.901 -1.011 1.600 1.00 0.00 C ATOM 1474 CG LYS A 87 93.724 -0.382 0.846 1.00 0.00 C ATOM 1475 CD LYS A 87 92.685 -1.454 0.536 1.00 0.00 C ATOM 1476 CE LYS A 87 91.503 -0.808 -0.187 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.493 -1.850 -0.521 1.00 0.00 N ATOM 0 H LYS A 87 96.724 -1.288 3.232 1.00 0.00 H new ATOM 0 HA LYS A 87 96.610 0.022 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.241 -1.905 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.580 -1.325 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.276 0.410 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 87 94.075 0.077 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 87 93.124 -2.235 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.348 -1.930 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 87 91.054 -0.040 0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.846 -0.314 -1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.689 -1.410 -1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.925 -2.567 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.158 -2.302 0.354 1.00 0.00 H new ATOM 1491 N GLU A 88 95.031 1.595 3.209 1.00 0.00 N ATOM 1492 CA GLU A 88 94.485 2.883 3.576 1.00 0.00 C ATOM 1493 C GLU A 88 95.568 3.843 4.037 1.00 0.00 C ATOM 1494 O GLU A 88 95.343 5.050 4.145 1.00 0.00 O ATOM 1495 CB GLU A 88 93.457 2.673 4.688 1.00 0.00 C ATOM 1496 CG GLU A 88 94.087 2.839 6.083 1.00 0.00 C ATOM 1497 CD GLU A 88 94.183 4.317 6.459 1.00 0.00 C ATOM 1498 OE1 GLU A 88 95.172 4.690 7.069 1.00 0.00 O ATOM 1499 OE2 GLU A 88 93.272 5.055 6.120 1.00 0.00 O ATOM 0 H GLU A 88 95.022 0.901 3.956 1.00 0.00 H new ATOM 0 HA GLU A 88 94.014 3.329 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.642 3.386 4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 88 93.024 1.677 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 88 93.489 2.308 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.080 2.390 6.095 1.00 0.00 H new ATOM 1506 N LEU A 89 96.721 3.295 4.388 1.00 0.00 N ATOM 1507 CA LEU A 89 97.795 4.105 4.926 1.00 0.00 C ATOM 1508 C LEU A 89 98.172 5.178 3.936 1.00 0.00 C ATOM 1509 O LEU A 89 98.405 6.328 4.304 1.00 0.00 O ATOM 1510 CB LEU A 89 99.010 3.223 5.216 1.00 0.00 C ATOM 1511 CG LEU A 89 100.078 4.010 5.977 1.00 0.00 C ATOM 1512 CD1 LEU A 89 99.559 4.418 7.359 1.00 0.00 C ATOM 1513 CD2 LEU A 89 101.341 3.158 6.140 1.00 0.00 C ATOM 0 H LEU A 89 96.933 2.300 4.310 1.00 0.00 H new ATOM 0 HA LEU A 89 97.460 4.573 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.705 2.355 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.425 2.847 4.281 1.00 0.00 H new ATOM 0 HG LEU A 89 100.316 4.908 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 89 100.331 4.977 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 89 98.673 5.042 7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.303 3.525 7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 89 102.096 3.727 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 89 101.100 2.252 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 89 101.727 2.888 5.157 1.00 0.00 H new ATOM 1525 N ILE A 90 98.236 4.796 2.671 1.00 0.00 N ATOM 1526 CA ILE A 90 98.596 5.752 1.640 1.00 0.00 C ATOM 1527 C ILE A 90 97.545 6.860 1.555 1.00 0.00 C ATOM 1528 O ILE A 90 97.881 8.036 1.421 1.00 0.00 O ATOM 1529 CB ILE A 90 98.717 5.060 0.276 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.896 4.092 0.344 1.00 0.00 C ATOM 1531 CG2 ILE A 90 98.957 6.112 -0.835 1.00 0.00 C ATOM 1532 CD1 ILE A 90 100.161 3.505 -1.047 1.00 0.00 C ATOM 0 H ILE A 90 98.047 3.850 2.339 1.00 0.00 H new ATOM 0 HA ILE A 90 99.560 6.186 1.904 1.00 0.00 H new ATOM 0 HB ILE A 90 97.798 4.522 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.784 4.610 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.682 3.292 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 90 99.041 5.610 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 90 98.121 6.811 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 90 99.878 6.657 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 90 101.003 2.814 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 90 99.275 2.972 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 90 100.394 4.310 -1.743 1.00 0.00 H new ATOM 1544 N ASP A 91 96.273 6.468 1.608 1.00 0.00 N ATOM 1545 CA ASP A 91 95.179 7.429 1.508 1.00 0.00 C ATOM 1546 C ASP A 91 95.348 8.550 2.524 1.00 0.00 C ATOM 1547 O ASP A 91 94.708 9.597 2.423 1.00 0.00 O ATOM 1548 CB ASP A 91 93.839 6.723 1.738 1.00 0.00 C ATOM 1549 CG ASP A 91 93.476 5.875 0.524 1.00 0.00 C ATOM 1550 OD1 ASP A 91 94.166 5.980 -0.477 1.00 0.00 O ATOM 1551 OD2 ASP A 91 92.506 5.140 0.609 1.00 0.00 O ATOM 0 H ASP A 91 95.977 5.498 1.719 1.00 0.00 H new ATOM 0 HA ASP A 91 95.195 7.861 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.899 6.093 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 91 93.058 7.461 1.922 1.00 0.00 H new ATOM 1556 N LYS A 92 96.219 8.328 3.498 1.00 0.00 N ATOM 1557 CA LYS A 92 96.472 9.329 4.524 1.00 0.00 C ATOM 1558 C LYS A 92 97.177 10.540 3.924 1.00 0.00 C ATOM 1559 O LYS A 92 98.063 10.402 3.085 1.00 0.00 O ATOM 1560 CB LYS A 92 97.335 8.732 5.639 1.00 0.00 C ATOM 1561 CG LYS A 92 97.096 9.495 6.946 1.00 0.00 C ATOM 1562 CD LYS A 92 97.847 8.804 8.084 1.00 0.00 C ATOM 1563 CE LYS A 92 97.558 9.533 9.395 1.00 0.00 C ATOM 1564 NZ LYS A 92 98.196 8.798 10.522 1.00 0.00 N ATOM 0 H LYS A 92 96.759 7.469 3.599 1.00 0.00 H new ATOM 0 HA LYS A 92 95.516 9.647 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 92 97.093 7.678 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 92 98.388 8.785 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 92 97.436 10.526 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 92 96.030 9.531 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 92 97.538 7.761 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 92 98.918 8.806 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 92 97.941 10.553 9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 92 96.482 9.603 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 98.000 9.294 11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 97.811 7.833 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 99.224 8.753 10.370 1.00 0.00 H new