USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=16 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 Set 1.1: A 17 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.8!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.53) USER MOD Single : A 8 HIS : no HD1:sc= -5.36! K(o=-5.4!,f=-2.5) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= -6.35! (180deg=-7.25!) 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= -0.441 USER MOD Single : A 42 CYS SG : rot -14:sc= 0.0123 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 87:sc= 0.13 USER MOD Single : A 64 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.2) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.358 USER MOD Single : A 68 ASN : amide:sc= -5.66! C(o=-5.7!,f=-2.9!) USER MOD Single : A 69 THR OG1 : rot -72:sc= 0.732 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 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.734! C(o=-0.73!,f=-4.2!) 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 5 116.361 9.828 5.152 1.00 0.00 N ATOM 83 CA LEU A 5 116.400 8.522 5.803 1.00 0.00 C ATOM 84 C LEU A 5 115.610 8.557 7.113 1.00 0.00 C ATOM 85 O LEU A 5 115.107 7.530 7.586 1.00 0.00 O ATOM 86 CB LEU A 5 117.855 8.125 6.085 1.00 0.00 C ATOM 87 CG LEU A 5 117.905 6.687 6.613 1.00 0.00 C ATOM 88 CD1 LEU A 5 117.437 5.713 5.526 1.00 0.00 C ATOM 89 CD2 LEU A 5 119.338 6.343 7.022 1.00 0.00 C ATOM 0 HA LEU A 5 115.947 7.786 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 5 118.448 8.209 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 5 118.293 8.806 6.815 1.00 0.00 H new ATOM 0 HG LEU A 5 117.246 6.601 7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 5 117.476 4.694 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 5 116.414 5.954 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 5 118.088 5.798 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 5 119.374 5.320 7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 5 119.995 6.435 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.668 7.028 7.803 1.00 0.00 H new ATOM 101 N SER A 6 115.501 9.743 7.698 1.00 0.00 N ATOM 102 CA SER A 6 114.773 9.898 8.950 1.00 0.00 C ATOM 103 C SER A 6 113.346 9.378 8.800 1.00 0.00 C ATOM 104 O SER A 6 112.766 8.841 9.745 1.00 0.00 O ATOM 105 CB SER A 6 114.741 11.372 9.352 1.00 0.00 C ATOM 106 OG SER A 6 114.112 12.124 8.321 1.00 0.00 O ATOM 0 H SER A 6 115.904 10.605 7.329 1.00 0.00 H new ATOM 0 HA SER A 6 115.281 9.322 9.724 1.00 0.00 H new ATOM 0 HB2 SER A 6 114.199 11.494 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 6 115.754 11.738 9.519 1.00 0.00 H new ATOM 0 HG SER A 6 114.087 13.070 8.575 1.00 0.00 H new ATOM 112 N GLN A 7 112.787 9.535 7.604 1.00 0.00 N ATOM 113 CA GLN A 7 111.429 9.076 7.344 1.00 0.00 C ATOM 114 C GLN A 7 111.304 7.592 7.665 1.00 0.00 C ATOM 115 O GLN A 7 110.362 7.172 8.336 1.00 0.00 O ATOM 116 CB GLN A 7 111.075 9.310 5.874 1.00 0.00 C ATOM 117 CG GLN A 7 111.086 10.812 5.579 1.00 0.00 C ATOM 118 CD GLN A 7 109.940 11.497 6.315 1.00 0.00 C ATOM 119 OE1 GLN A 7 108.806 11.022 6.273 1.00 0.00 O ATOM 120 NE2 GLN A 7 110.168 12.592 6.986 1.00 0.00 N ATOM 0 H GLN A 7 113.249 9.973 6.807 1.00 0.00 H new ATOM 0 HA GLN A 7 110.743 9.637 7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 7 111.790 8.797 5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 7 110.092 8.893 5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 7 112.038 11.245 5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 7 110.993 10.981 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 7 111.109 12.983 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 7 109.405 13.057 7.478 1.00 0.00 H new ATOM 129 N HIS A 8 112.255 6.791 7.185 1.00 0.00 N ATOM 130 CA HIS A 8 112.219 5.356 7.435 1.00 0.00 C ATOM 131 C HIS A 8 112.193 5.087 8.936 1.00 0.00 C ATOM 132 O HIS A 8 111.348 4.340 9.429 1.00 0.00 O ATOM 133 CB HIS A 8 113.464 4.704 6.823 1.00 0.00 C ATOM 134 CG HIS A 8 113.229 3.230 6.643 1.00 0.00 C ATOM 135 ND1 HIS A 8 114.066 2.430 5.883 1.00 0.00 N ATOM 136 CD2 HIS A 8 112.243 2.399 7.117 1.00 0.00 C ATOM 137 CE1 HIS A 8 113.575 1.179 5.920 1.00 0.00 C ATOM 138 NE2 HIS A 8 112.464 1.104 6.658 1.00 0.00 N ATOM 0 H HIS A 8 113.049 7.109 6.628 1.00 0.00 H new ATOM 0 HA HIS A 8 111.321 4.936 6.982 1.00 0.00 H new ATOM 0 HB2 HIS A 8 113.693 5.165 5.862 1.00 0.00 H new ATOM 0 HB3 HIS A 8 114.327 4.868 7.469 1.00 0.00 H new ATOM 0 HD2 HIS A 8 111.422 2.704 7.749 1.00 0.00 H new ATOM 0 HE1 HIS A 8 114.024 0.337 5.414 1.00 0.00 H new ATOM 0 HE2 HIS A 8 111.899 0.276 6.845 1.00 0.00 H new ATOM 147 N GLU A 9 113.118 5.708 9.661 1.00 0.00 N ATOM 148 CA GLU A 9 113.181 5.526 11.111 1.00 0.00 C ATOM 149 C GLU A 9 111.784 5.651 11.716 1.00 0.00 C ATOM 150 O GLU A 9 111.436 4.937 12.660 1.00 0.00 O ATOM 151 CB GLU A 9 114.105 6.579 11.725 1.00 0.00 C ATOM 152 CG GLU A 9 115.525 6.387 11.189 1.00 0.00 C ATOM 153 CD GLU A 9 116.129 5.107 11.756 1.00 0.00 C ATOM 154 OE1 GLU A 9 117.192 4.722 11.296 1.00 0.00 O ATOM 155 OE2 GLU A 9 115.527 4.537 12.651 1.00 0.00 O ATOM 0 H GLU A 9 113.826 6.334 9.277 1.00 0.00 H new ATOM 0 HA GLU A 9 113.574 4.532 11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 9 113.746 7.579 11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 9 114.100 6.493 12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 9 115.508 6.339 10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 9 116.144 7.242 11.461 1.00 0.00 H new ATOM 162 N ARG A 10 110.984 6.555 11.154 1.00 0.00 N ATOM 163 CA ARG A 10 109.619 6.749 11.629 1.00 0.00 C ATOM 164 C ARG A 10 108.718 5.633 11.125 1.00 0.00 C ATOM 165 O ARG A 10 107.943 5.084 11.874 1.00 0.00 O ATOM 166 CB ARG A 10 109.071 8.099 11.167 1.00 0.00 C ATOM 167 CG ARG A 10 107.592 8.228 11.531 1.00 0.00 C ATOM 168 CD ARG A 10 107.100 9.621 11.151 1.00 0.00 C ATOM 169 NE ARG A 10 105.692 9.757 11.496 1.00 0.00 N ATOM 170 CZ ARG A 10 105.319 10.121 12.719 1.00 0.00 C ATOM 171 NH1 ARG A 10 104.052 10.239 13.007 1.00 0.00 N ATOM 172 NH2 ARG A 10 106.221 10.358 13.632 1.00 0.00 N ATOM 0 H ARG A 10 111.255 7.158 10.377 1.00 0.00 H new ATOM 0 HA ARG A 10 109.636 6.731 12.719 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.638 8.906 11.631 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.197 8.200 10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 10 107.009 7.469 11.009 1.00 0.00 H new ATOM 0 HG3 ARG A 10 107.452 8.059 12.599 1.00 0.00 H new ATOM 0 HD2 ARG A 10 107.686 10.378 11.671 1.00 0.00 H new ATOM 0 HD3 ARG A 10 107.240 9.788 10.083 1.00 0.00 H new ATOM 0 HE ARG A 10 104.981 9.570 10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 10 103.347 10.052 12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 10 103.766 10.518 13.945 1.00 0.00 H new ATOM 0 HH21 ARG A 10 107.211 10.264 13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 10 105.936 10.637 14.571 1.00 0.00 H new ATOM 186 N TYR A 11 108.810 5.333 9.842 1.00 0.00 N ATOM 187 CA TYR A 11 107.964 4.300 9.261 1.00 0.00 C ATOM 188 C TYR A 11 108.112 2.992 10.032 1.00 0.00 C ATOM 189 O TYR A 11 107.133 2.354 10.396 1.00 0.00 O ATOM 190 CB TYR A 11 108.364 4.070 7.803 1.00 0.00 C ATOM 191 CG TYR A 11 107.539 2.949 7.214 1.00 0.00 C ATOM 192 CD1 TYR A 11 106.304 3.233 6.618 1.00 0.00 C ATOM 193 CD2 TYR A 11 108.004 1.630 7.267 1.00 0.00 C ATOM 194 CE1 TYR A 11 105.536 2.198 6.073 1.00 0.00 C ATOM 195 CE2 TYR A 11 107.235 0.594 6.722 1.00 0.00 C ATOM 196 CZ TYR A 11 106.000 0.878 6.126 1.00 0.00 C ATOM 197 OH TYR A 11 105.243 -0.144 5.589 1.00 0.00 O ATOM 0 H TYR A 11 109.452 5.781 9.188 1.00 0.00 H new ATOM 0 HA TYR A 11 106.926 4.630 9.315 1.00 0.00 H new ATOM 0 HB2 TYR A 11 108.215 4.984 7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 11 109.424 3.824 7.742 1.00 0.00 H new ATOM 0 HD1 TYR A 11 105.944 4.251 6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 11 108.956 1.411 7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 11 104.585 2.417 5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 11 107.594 -0.424 6.761 1.00 0.00 H new ATOM 0 HH TYR A 11 105.712 -0.996 5.709 1.00 0.00 H new ATOM 207 N VAL A 12 109.342 2.592 10.286 1.00 0.00 N ATOM 208 CA VAL A 12 109.573 1.346 11.014 1.00 0.00 C ATOM 209 C VAL A 12 108.983 1.397 12.417 1.00 0.00 C ATOM 210 O VAL A 12 108.205 0.527 12.795 1.00 0.00 O ATOM 211 CB VAL A 12 111.076 1.090 11.115 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.350 0.014 12.167 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.602 0.609 9.766 1.00 0.00 C ATOM 0 H VAL A 12 110.185 3.094 10.009 1.00 0.00 H new ATOM 0 HA VAL A 12 109.082 0.541 10.466 1.00 0.00 H new ATOM 0 HB VAL A 12 111.576 2.016 11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.423 -0.164 12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.976 0.348 13.135 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.846 -0.910 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.674 0.426 9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 12 111.095 -0.314 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 12 111.414 1.371 9.009 1.00 0.00 H new ATOM 223 N GLU A 13 109.350 2.412 13.182 1.00 0.00 N ATOM 224 CA GLU A 13 108.851 2.540 14.549 1.00 0.00 C ATOM 225 C GLU A 13 107.362 2.875 14.582 1.00 0.00 C ATOM 226 O GLU A 13 106.598 2.296 15.352 1.00 0.00 O ATOM 227 CB GLU A 13 109.632 3.634 15.277 1.00 0.00 C ATOM 228 CG GLU A 13 111.075 3.175 15.500 1.00 0.00 C ATOM 229 CD GLU A 13 111.882 4.291 16.158 1.00 0.00 C ATOM 230 OE1 GLU A 13 111.310 5.338 16.411 1.00 0.00 O ATOM 231 OE2 GLU A 13 113.059 4.081 16.400 1.00 0.00 O ATOM 0 H GLU A 13 109.985 3.154 12.888 1.00 0.00 H new ATOM 0 HA GLU A 13 108.990 1.580 15.045 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.619 4.554 14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.159 3.857 16.233 1.00 0.00 H new ATOM 0 HG2 GLU A 13 111.089 2.285 16.129 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.529 2.899 14.548 1.00 0.00 H new ATOM 238 N GLN A 14 106.970 3.816 13.747 1.00 0.00 N ATOM 239 CA GLN A 14 105.579 4.246 13.680 1.00 0.00 C ATOM 240 C GLN A 14 104.698 3.136 13.128 1.00 0.00 C ATOM 241 O GLN A 14 103.927 2.540 13.864 1.00 0.00 O ATOM 242 CB GLN A 14 105.455 5.492 12.794 1.00 0.00 C ATOM 243 CG GLN A 14 104.038 6.071 12.900 1.00 0.00 C ATOM 244 CD GLN A 14 103.768 6.530 14.330 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.680 7.008 15.006 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.572 6.411 14.836 1.00 0.00 N ATOM 0 H GLN A 14 107.593 4.302 13.102 1.00 0.00 H new ATOM 0 HA GLN A 14 105.247 4.486 14.690 1.00 0.00 H new ATOM 0 HB2 GLN A 14 106.186 6.240 13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.675 5.235 11.758 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.927 6.910 12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.306 5.319 12.606 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.818 6.015 14.275 1.00 0.00 H new ATOM 0 HE22 GLN A 14 102.391 6.714 15.793 1.00 0.00 H new ATOM 255 N LEU A 15 104.793 2.896 11.829 1.00 0.00 N ATOM 256 CA LEU A 15 103.962 1.876 11.197 1.00 0.00 C ATOM 257 C LEU A 15 103.802 0.684 12.144 1.00 0.00 C ATOM 258 O LEU A 15 102.691 0.196 12.365 1.00 0.00 O ATOM 259 CB LEU A 15 104.621 1.415 9.891 1.00 0.00 C ATOM 260 CG LEU A 15 103.567 0.945 8.890 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.691 -0.126 9.534 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.694 2.135 8.471 1.00 0.00 C ATOM 0 H LEU A 15 105.427 3.385 11.197 1.00 0.00 H new ATOM 0 HA LEU A 15 102.980 2.294 10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 15 105.199 2.233 9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 15 105.321 0.605 10.097 1.00 0.00 H new ATOM 0 HG LEU A 15 104.061 0.529 8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.940 -0.460 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.310 -0.972 9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 15 102.196 0.288 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.942 1.801 7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 15 102.201 2.552 9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.319 2.900 8.009 1.00 0.00 H new ATOM 274 N LYS A 16 104.903 0.236 12.732 1.00 0.00 N ATOM 275 CA LYS A 16 104.839 -0.880 13.669 1.00 0.00 C ATOM 276 C LYS A 16 103.948 -0.534 14.862 1.00 0.00 C ATOM 277 O LYS A 16 103.173 -1.364 15.330 1.00 0.00 O ATOM 278 CB LYS A 16 106.243 -1.250 14.144 1.00 0.00 C ATOM 279 CG LYS A 16 106.970 -2.027 13.042 1.00 0.00 C ATOM 280 CD LYS A 16 108.353 -2.454 13.545 1.00 0.00 C ATOM 281 CE LYS A 16 109.015 -3.379 12.523 1.00 0.00 C ATOM 282 NZ LYS A 16 109.956 -4.290 13.229 1.00 0.00 N ATOM 0 H LYS A 16 105.836 0.619 12.582 1.00 0.00 H new ATOM 0 HA LYS A 16 104.404 -1.737 13.155 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.802 -0.349 14.397 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.184 -1.853 15.050 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.389 -2.904 12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 16 107.071 -1.407 12.151 1.00 0.00 H new ATOM 0 HD2 LYS A 16 108.977 -1.575 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.259 -2.964 14.504 1.00 0.00 H new ATOM 0 HE2 LYS A 16 108.258 -3.957 11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.549 -2.793 11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 110.902 -4.210 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 110.005 -4.028 14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 109.620 -5.271 13.143 1.00 0.00 H new ATOM 296 N GLN A 17 104.057 0.696 15.338 1.00 0.00 N ATOM 297 CA GLN A 17 103.239 1.138 16.463 1.00 0.00 C ATOM 298 C GLN A 17 101.769 1.180 16.034 1.00 0.00 C ATOM 299 O GLN A 17 100.914 0.497 16.611 1.00 0.00 O ATOM 300 CB GLN A 17 103.703 2.523 16.930 1.00 0.00 C ATOM 301 CG GLN A 17 104.949 2.371 17.803 1.00 0.00 C ATOM 302 CD GLN A 17 104.542 1.934 19.204 1.00 0.00 C ATOM 303 OE1 GLN A 17 103.481 2.326 19.690 1.00 0.00 O ATOM 304 NE2 GLN A 17 105.325 1.147 19.890 1.00 0.00 N ATOM 0 H GLN A 17 104.695 1.401 14.970 1.00 0.00 H new ATOM 0 HA GLN A 17 103.346 0.440 17.293 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.923 3.155 16.069 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.909 3.015 17.492 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.625 1.637 17.364 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.490 3.316 17.849 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.204 0.823 19.486 1.00 0.00 H new ATOM 0 HE22 GLN A 17 105.058 0.856 20.830 1.00 0.00 H new ATOM 313 N ALA A 18 101.489 1.974 15.003 1.00 0.00 N ATOM 314 CA ALA A 18 100.133 2.094 14.478 1.00 0.00 C ATOM 315 C ALA A 18 99.544 0.707 14.223 1.00 0.00 C ATOM 316 O ALA A 18 98.338 0.557 14.070 1.00 0.00 O ATOM 317 CB ALA A 18 100.135 2.903 13.179 1.00 0.00 C ATOM 0 H ALA A 18 102.182 2.542 14.516 1.00 0.00 H new ATOM 0 HA ALA A 18 99.520 2.612 15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 18 99.117 2.984 12.799 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.531 3.900 13.372 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.759 2.402 12.439 1.00 0.00 H new ATOM 323 N LEU A 19 100.421 -0.290 14.191 1.00 0.00 N ATOM 324 CA LEU A 19 99.992 -1.673 13.984 1.00 0.00 C ATOM 325 C LEU A 19 99.582 -2.299 15.312 1.00 0.00 C ATOM 326 O LEU A 19 98.532 -2.929 15.416 1.00 0.00 O ATOM 327 CB LEU A 19 101.110 -2.485 13.333 1.00 0.00 C ATOM 328 CG LEU A 19 100.779 -2.713 11.860 1.00 0.00 C ATOM 329 CD1 LEU A 19 102.015 -3.247 11.133 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.644 -3.734 11.742 1.00 0.00 C ATOM 0 H LEU A 19 101.428 -0.171 14.305 1.00 0.00 H new ATOM 0 HA LEU A 19 99.131 -1.677 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 19 102.059 -1.958 13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.225 -3.441 13.844 1.00 0.00 H new ATOM 0 HG LEU A 19 100.470 -1.769 11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.777 -3.409 10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.826 -2.523 11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 19 102.324 -4.190 11.585 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.408 -3.896 10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.954 -4.676 12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.761 -3.357 12.258 1.00 0.00 H new ATOM 342 N LYS A 20 100.421 -2.129 16.322 1.00 0.00 N ATOM 343 CA LYS A 20 100.133 -2.694 17.635 1.00 0.00 C ATOM 344 C LYS A 20 98.695 -2.406 18.034 1.00 0.00 C ATOM 345 O LYS A 20 98.043 -3.222 18.686 1.00 0.00 O ATOM 346 CB LYS A 20 101.083 -2.114 18.682 1.00 0.00 C ATOM 347 CG LYS A 20 102.493 -2.662 18.460 1.00 0.00 C ATOM 348 CD LYS A 20 103.423 -2.130 19.552 1.00 0.00 C ATOM 349 CE LYS A 20 104.820 -2.722 19.365 1.00 0.00 C ATOM 350 NZ LYS A 20 105.723 -2.216 20.437 1.00 0.00 N ATOM 0 H LYS A 20 101.298 -1.611 16.262 1.00 0.00 H new ATOM 0 HA LYS A 20 100.276 -3.773 17.582 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.091 -1.026 18.616 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.736 -2.370 19.683 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.479 -3.752 18.478 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.860 -2.365 17.478 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.469 -1.042 19.507 1.00 0.00 H new ATOM 0 HD3 LYS A 20 103.034 -2.393 20.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.773 -3.810 19.399 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.213 -2.450 18.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 106.700 -2.185 20.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 105.426 -1.260 20.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 105.674 -2.850 21.260 1.00 0.00 H new ATOM 364 N THR A 21 98.202 -1.242 17.633 1.00 0.00 N ATOM 365 CA THR A 21 96.829 -0.859 17.952 1.00 0.00 C ATOM 366 C THR A 21 95.847 -1.902 17.420 1.00 0.00 C ATOM 367 O THR A 21 94.803 -2.151 18.026 1.00 0.00 O ATOM 368 CB THR A 21 96.513 0.508 17.343 1.00 0.00 C ATOM 369 OG1 THR A 21 95.403 1.081 18.018 1.00 0.00 O ATOM 370 CG2 THR A 21 96.190 0.347 15.859 1.00 0.00 C ATOM 0 H THR A 21 98.723 -0.552 17.092 1.00 0.00 H new ATOM 0 HA THR A 21 96.727 -0.802 19.036 1.00 0.00 H new ATOM 0 HB THR A 21 97.378 1.163 17.451 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.201 1.958 17.629 1.00 0.00 H new ATOM 0 HG21 THR A 21 95.965 1.322 15.428 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.047 -0.088 15.345 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.327 -0.308 15.744 1.00 0.00 H new ATOM 378 N ARG A 22 96.187 -2.508 16.285 1.00 0.00 N ATOM 379 CA ARG A 22 95.334 -3.521 15.685 1.00 0.00 C ATOM 380 C ARG A 22 95.408 -4.823 16.480 1.00 0.00 C ATOM 381 O ARG A 22 94.585 -5.720 16.294 1.00 0.00 O ATOM 382 CB ARG A 22 95.740 -3.777 14.231 1.00 0.00 C ATOM 383 CG ARG A 22 95.234 -2.632 13.347 1.00 0.00 C ATOM 384 CD ARG A 22 95.637 -2.897 11.901 1.00 0.00 C ATOM 385 NE ARG A 22 95.196 -1.799 11.050 1.00 0.00 N ATOM 386 CZ ARG A 22 93.991 -1.795 10.490 1.00 0.00 C ATOM 387 NH1 ARG A 22 93.627 -0.797 9.732 1.00 0.00 N ATOM 388 NH2 ARG A 22 93.172 -2.789 10.698 1.00 0.00 N ATOM 0 H ARG A 22 97.044 -2.314 15.767 1.00 0.00 H new ATOM 0 HA ARG A 22 94.308 -3.153 15.704 1.00 0.00 H new ATOM 0 HB2 ARG A 22 96.824 -3.857 14.154 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.325 -4.725 13.888 1.00 0.00 H new ATOM 0 HG2 ARG A 22 94.150 -2.548 13.425 1.00 0.00 H new ATOM 0 HG3 ARG A 22 95.652 -1.684 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.719 -3.010 11.831 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.196 -3.833 11.558 1.00 0.00 H new ATOM 0 HE ARG A 22 95.827 -1.016 10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.268 -0.020 9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 22 92.702 -0.794 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 22 93.457 -3.569 11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.247 -2.786 10.268 1.00 0.00 H new ATOM 402 N GLY A 23 96.402 -4.917 17.362 1.00 0.00 N ATOM 403 CA GLY A 23 96.580 -6.119 18.177 1.00 0.00 C ATOM 404 C GLY A 23 97.797 -6.913 17.715 1.00 0.00 C ATOM 405 O GLY A 23 97.825 -8.138 17.830 1.00 0.00 O ATOM 0 H GLY A 23 97.090 -4.183 17.530 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.699 -5.839 19.224 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.688 -6.742 18.113 1.00 0.00 H new ATOM 409 N VAL A 24 98.799 -6.209 17.187 1.00 0.00 N ATOM 410 CA VAL A 24 100.013 -6.862 16.711 1.00 0.00 C ATOM 411 C VAL A 24 101.185 -6.590 17.653 1.00 0.00 C ATOM 412 O VAL A 24 101.118 -5.702 18.501 1.00 0.00 O ATOM 413 CB VAL A 24 100.359 -6.359 15.312 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.541 -7.153 14.750 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.146 -6.537 14.394 1.00 0.00 C ATOM 0 H VAL A 24 98.792 -5.195 17.080 1.00 0.00 H new ATOM 0 HA VAL A 24 99.832 -7.936 16.681 1.00 0.00 H new ATOM 0 HB VAL A 24 100.629 -5.304 15.367 1.00 0.00 H new ATOM 0 HG11 VAL A 24 101.782 -6.789 13.751 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.406 -7.027 15.401 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.277 -8.209 14.697 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.391 -6.178 13.394 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.878 -7.592 14.346 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.305 -5.967 14.788 1.00 0.00 H new ATOM 425 N LYS A 25 102.266 -7.350 17.491 1.00 0.00 N ATOM 426 CA LYS A 25 103.446 -7.161 18.322 1.00 0.00 C ATOM 427 C LYS A 25 104.699 -7.187 17.462 1.00 0.00 C ATOM 428 O LYS A 25 104.778 -7.948 16.496 1.00 0.00 O ATOM 429 CB LYS A 25 103.525 -8.252 19.389 1.00 0.00 C ATOM 430 CG LYS A 25 102.392 -8.062 20.396 1.00 0.00 C ATOM 431 CD LYS A 25 102.476 -9.150 21.466 1.00 0.00 C ATOM 432 CE LYS A 25 101.314 -8.991 22.447 1.00 0.00 C ATOM 433 NZ LYS A 25 101.388 -10.061 23.481 1.00 0.00 N ATOM 0 H LYS A 25 102.347 -8.094 16.798 1.00 0.00 H new ATOM 0 HA LYS A 25 103.372 -6.192 18.816 1.00 0.00 H new ATOM 0 HB2 LYS A 25 103.452 -9.236 18.925 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.488 -8.210 19.897 1.00 0.00 H new ATOM 0 HG2 LYS A 25 102.462 -7.077 20.857 1.00 0.00 H new ATOM 0 HG3 LYS A 25 101.428 -8.109 19.889 1.00 0.00 H new ATOM 0 HD2 LYS A 25 102.441 -10.135 21.001 1.00 0.00 H new ATOM 0 HD3 LYS A 25 103.426 -9.081 21.996 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.355 -8.010 22.920 1.00 0.00 H new ATOM 0 HE3 LYS A 25 100.364 -9.049 21.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 100.598 -9.954 24.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 101.329 -10.992 23.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 102.289 -9.985 23.995 1.00 0.00 H new ATOM 447 N VAL A 26 105.678 -6.352 17.813 1.00 0.00 N ATOM 448 CA VAL A 26 106.923 -6.288 17.056 1.00 0.00 C ATOM 449 C VAL A 26 108.121 -6.551 17.961 1.00 0.00 C ATOM 450 O VAL A 26 108.307 -5.875 18.973 1.00 0.00 O ATOM 451 CB VAL A 26 107.072 -4.907 16.421 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.765 -4.512 15.731 1.00 0.00 C ATOM 453 CG2 VAL A 26 107.406 -3.880 17.506 1.00 0.00 C ATOM 0 H VAL A 26 105.632 -5.717 18.610 1.00 0.00 H new ATOM 0 HA VAL A 26 106.890 -7.053 16.281 1.00 0.00 H new ATOM 0 HB VAL A 26 107.875 -4.934 15.684 1.00 0.00 H new ATOM 0 HG11 VAL A 26 105.876 -3.526 15.279 1.00 0.00 H new ATOM 0 HG12 VAL A 26 105.527 -5.241 14.957 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.959 -4.487 16.465 1.00 0.00 H new ATOM 0 HG21 VAL A 26 107.512 -2.894 17.053 1.00 0.00 H new ATOM 0 HG22 VAL A 26 106.604 -3.856 18.244 1.00 0.00 H new ATOM 0 HG23 VAL A 26 108.340 -4.158 17.995 1.00 0.00 H new ATOM 463 N LYS A 27 108.926 -7.536 17.585 1.00 0.00 N ATOM 464 CA LYS A 27 110.111 -7.891 18.356 1.00 0.00 C ATOM 465 C LYS A 27 111.377 -7.512 17.589 1.00 0.00 C ATOM 466 O LYS A 27 111.325 -7.227 16.394 1.00 0.00 O ATOM 467 CB LYS A 27 110.124 -9.388 18.669 1.00 0.00 C ATOM 468 CG LYS A 27 111.095 -9.685 19.830 1.00 0.00 C ATOM 469 CD LYS A 27 112.322 -10.453 19.328 1.00 0.00 C ATOM 470 CE LYS A 27 113.008 -11.126 20.507 1.00 0.00 C ATOM 471 NZ LYS A 27 114.262 -11.768 20.029 1.00 0.00 N ATOM 0 H LYS A 27 108.780 -8.104 16.750 1.00 0.00 H new ATOM 0 HA LYS A 27 110.084 -7.338 19.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 109.120 -9.720 18.932 1.00 0.00 H new ATOM 0 HB3 LYS A 27 110.423 -9.949 17.783 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.410 -8.751 20.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 110.585 -10.267 20.597 1.00 0.00 H new ATOM 0 HD2 LYS A 27 112.023 -11.199 18.592 1.00 0.00 H new ATOM 0 HD3 LYS A 27 113.013 -9.773 18.830 1.00 0.00 H new ATOM 0 HE2 LYS A 27 113.231 -10.393 21.283 1.00 0.00 H new ATOM 0 HE3 LYS A 27 112.349 -11.871 20.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 114.741 -12.232 20.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 114.034 -12.477 19.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 114.889 -11.045 19.623 1.00 0.00 H new ATOM 485 N TYR A 28 112.516 -7.517 18.273 1.00 0.00 N ATOM 486 CA TYR A 28 113.784 -7.178 17.629 1.00 0.00 C ATOM 487 C TYR A 28 113.965 -7.994 16.341 1.00 0.00 C ATOM 488 O TYR A 28 114.390 -7.470 15.306 1.00 0.00 O ATOM 489 CB TYR A 28 114.943 -7.464 18.597 1.00 0.00 C ATOM 490 CG TYR A 28 114.792 -6.599 19.828 1.00 0.00 C ATOM 491 CD1 TYR A 28 115.269 -5.284 19.815 1.00 0.00 C ATOM 492 CD2 TYR A 28 114.180 -7.111 20.978 1.00 0.00 C ATOM 493 CE1 TYR A 28 115.132 -4.478 20.952 1.00 0.00 C ATOM 494 CE2 TYR A 28 114.042 -6.306 22.115 1.00 0.00 C ATOM 495 CZ TYR A 28 114.519 -4.989 22.102 1.00 0.00 C ATOM 496 OH TYR A 28 114.383 -4.197 23.223 1.00 0.00 O ATOM 0 H TYR A 28 112.590 -7.749 19.263 1.00 0.00 H new ATOM 0 HA TYR A 28 113.779 -6.119 17.371 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.946 -8.517 18.877 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.897 -7.260 18.110 1.00 0.00 H new ATOM 0 HD1 TYR A 28 115.743 -4.890 18.928 1.00 0.00 H new ATOM 0 HD2 TYR A 28 113.814 -8.127 20.988 1.00 0.00 H new ATOM 0 HE1 TYR A 28 115.499 -3.462 20.942 1.00 0.00 H new ATOM 0 HE2 TYR A 28 113.568 -6.700 23.002 1.00 0.00 H new ATOM 0 HH TYR A 28 113.935 -4.706 23.931 1.00 0.00 H new ATOM 506 N ALA A 29 113.618 -9.272 16.413 1.00 0.00 N ATOM 507 CA ALA A 29 113.713 -10.163 15.267 1.00 0.00 C ATOM 508 C ALA A 29 112.778 -9.693 14.155 1.00 0.00 C ATOM 509 O ALA A 29 112.918 -10.091 12.999 1.00 0.00 O ATOM 510 CB ALA A 29 113.372 -11.602 15.664 1.00 0.00 C ATOM 0 H ALA A 29 113.266 -9.717 17.261 1.00 0.00 H new ATOM 0 HA ALA A 29 114.740 -10.141 14.903 1.00 0.00 H new ATOM 0 HB1 ALA A 29 113.450 -12.249 14.790 1.00 0.00 H new ATOM 0 HB2 ALA A 29 114.068 -11.942 16.431 1.00 0.00 H new ATOM 0 HB3 ALA A 29 112.355 -11.641 16.054 1.00 0.00 H new ATOM 516 N ASP A 30 111.819 -8.851 14.531 1.00 0.00 N ATOM 517 CA ASP A 30 110.847 -8.328 13.568 1.00 0.00 C ATOM 518 C ASP A 30 111.523 -7.378 12.592 1.00 0.00 C ATOM 519 O ASP A 30 111.298 -7.454 11.391 1.00 0.00 O ATOM 520 CB ASP A 30 109.710 -7.608 14.293 1.00 0.00 C ATOM 521 CG ASP A 30 108.490 -7.513 13.386 1.00 0.00 C ATOM 522 OD1 ASP A 30 108.665 -7.519 12.178 1.00 0.00 O ATOM 523 OD2 ASP A 30 107.393 -7.438 13.915 1.00 0.00 O ATOM 0 H ASP A 30 111.692 -8.517 15.486 1.00 0.00 H new ATOM 0 HA ASP A 30 110.433 -9.168 13.011 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.453 -8.144 15.206 1.00 0.00 H new ATOM 0 HB3 ASP A 30 110.032 -6.610 14.589 1.00 0.00 H new ATOM 528 N LEU A 31 112.348 -6.486 13.115 1.00 0.00 N ATOM 529 CA LEU A 31 113.051 -5.530 12.268 1.00 0.00 C ATOM 530 C LEU A 31 114.015 -6.265 11.351 1.00 0.00 C ATOM 531 O LEU A 31 114.147 -5.941 10.184 1.00 0.00 O ATOM 532 CB LEU A 31 113.829 -4.534 13.137 1.00 0.00 C ATOM 533 CG LEU A 31 112.878 -3.475 13.707 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.243 -4.003 14.998 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.663 -2.198 14.015 1.00 0.00 C ATOM 0 H LEU A 31 112.548 -6.402 14.112 1.00 0.00 H new ATOM 0 HA LEU A 31 112.322 -4.988 11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 31 114.327 -5.061 13.950 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.607 -4.053 12.544 1.00 0.00 H new ATOM 0 HG LEU A 31 112.098 -3.257 12.978 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.567 -3.251 15.405 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.685 -4.915 14.783 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.025 -4.219 15.726 1.00 0.00 H new ATOM 0 HD21 LEU A 31 112.988 -1.445 14.420 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.442 -2.417 14.745 1.00 0.00 H new ATOM 0 HD23 LEU A 31 114.119 -1.822 13.099 1.00 0.00 H new ATOM 547 N LEU A 32 114.703 -7.259 11.880 1.00 0.00 N ATOM 548 CA LEU A 32 115.662 -7.991 11.061 1.00 0.00 C ATOM 549 C LEU A 32 114.981 -8.615 9.845 1.00 0.00 C ATOM 550 O LEU A 32 115.440 -8.457 8.714 1.00 0.00 O ATOM 551 CB LEU A 32 116.292 -9.097 11.894 1.00 0.00 C ATOM 552 CG LEU A 32 116.807 -8.503 13.211 1.00 0.00 C ATOM 553 CD1 LEU A 32 117.448 -9.604 14.058 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.848 -7.420 12.912 1.00 0.00 C ATOM 0 H LEU A 32 114.623 -7.575 12.846 1.00 0.00 H new ATOM 0 HA LEU A 32 116.423 -7.291 10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 32 115.560 -9.879 12.095 1.00 0.00 H new ATOM 0 HB3 LEU A 32 117.111 -9.561 11.345 1.00 0.00 H new ATOM 0 HG LEU A 32 115.972 -8.065 13.758 1.00 0.00 H new ATOM 0 HD11 LEU A 32 117.813 -9.178 14.993 1.00 0.00 H new ATOM 0 HD12 LEU A 32 116.708 -10.374 14.275 1.00 0.00 H new ATOM 0 HD13 LEU A 32 118.281 -10.045 13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 32 118.214 -6.998 13.848 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.681 -7.858 12.362 1.00 0.00 H new ATOM 0 HD23 LEU A 32 117.392 -6.632 12.313 1.00 0.00 H new ATOM 566 N LYS A 33 113.895 -9.331 10.090 1.00 0.00 N ATOM 567 CA LYS A 33 113.166 -9.991 9.010 1.00 0.00 C ATOM 568 C LYS A 33 112.384 -8.994 8.180 1.00 0.00 C ATOM 569 O LYS A 33 112.495 -8.974 6.963 1.00 0.00 O ATOM 570 CB LYS A 33 112.200 -11.029 9.586 1.00 0.00 C ATOM 571 CG LYS A 33 111.492 -11.770 8.443 1.00 0.00 C ATOM 572 CD LYS A 33 110.570 -12.845 9.022 1.00 0.00 C ATOM 573 CE LYS A 33 109.862 -13.581 7.881 1.00 0.00 C ATOM 574 NZ LYS A 33 108.978 -14.639 8.444 1.00 0.00 N ATOM 0 H LYS A 33 113.498 -9.472 11.019 1.00 0.00 H new ATOM 0 HA LYS A 33 113.899 -10.479 8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 33 112.744 -11.738 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 33 111.465 -10.540 10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.915 -11.067 7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 33 112.228 -12.226 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 33 111.147 -13.550 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 33 109.835 -12.390 9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 33 109.275 -12.878 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 33 110.597 -14.026 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 108.497 -15.139 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 109.550 -15.315 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 108.269 -14.203 9.067 1.00 0.00 H new ATOM 588 N PHE A 34 111.579 -8.182 8.843 1.00 0.00 N ATOM 589 CA PHE A 34 110.752 -7.195 8.155 1.00 0.00 C ATOM 590 C PHE A 34 111.587 -6.218 7.336 1.00 0.00 C ATOM 591 O PHE A 34 111.244 -5.900 6.195 1.00 0.00 O ATOM 592 CB PHE A 34 109.938 -6.396 9.178 1.00 0.00 C ATOM 593 CG PHE A 34 109.049 -5.407 8.458 1.00 0.00 C ATOM 594 CD1 PHE A 34 109.321 -4.036 8.533 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.957 -5.863 7.711 1.00 0.00 C ATOM 596 CE1 PHE A 34 108.501 -3.121 7.861 1.00 0.00 C ATOM 597 CE2 PHE A 34 107.138 -4.950 7.038 1.00 0.00 C ATOM 598 CZ PHE A 34 107.409 -3.578 7.114 1.00 0.00 C ATOM 0 H PHE A 34 111.478 -8.184 9.858 1.00 0.00 H new ATOM 0 HA PHE A 34 110.096 -7.742 7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.333 -7.071 9.783 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.607 -5.870 9.859 1.00 0.00 H new ATOM 0 HD1 PHE A 34 110.164 -3.684 9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 34 107.746 -6.921 7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 34 108.711 -2.063 7.919 1.00 0.00 H new ATOM 0 HE2 PHE A 34 106.297 -5.303 6.460 1.00 0.00 H new ATOM 0 HZ PHE A 34 106.776 -2.873 6.596 1.00 0.00 H new ATOM 608 N PHE A 35 112.689 -5.765 7.913 1.00 0.00 N ATOM 609 CA PHE A 35 113.575 -4.836 7.227 1.00 0.00 C ATOM 610 C PHE A 35 114.299 -5.531 6.063 1.00 0.00 C ATOM 611 O PHE A 35 114.429 -4.963 4.979 1.00 0.00 O ATOM 612 CB PHE A 35 114.595 -4.271 8.217 1.00 0.00 C ATOM 613 CG PHE A 35 115.159 -2.984 7.678 1.00 0.00 C ATOM 614 CD1 PHE A 35 116.039 -2.992 6.591 1.00 0.00 C ATOM 615 CD2 PHE A 35 114.787 -1.770 8.268 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.548 -1.787 6.092 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.295 -0.565 7.771 1.00 0.00 C ATOM 618 CZ PHE A 35 116.176 -0.574 6.682 1.00 0.00 C ATOM 0 H PHE A 35 112.991 -6.024 8.852 1.00 0.00 H new ATOM 0 HA PHE A 35 112.977 -4.021 6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 35 114.122 -4.096 9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.397 -4.991 8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.326 -3.929 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 35 114.107 -1.764 9.107 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.227 -1.794 5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 35 115.008 0.371 8.227 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.568 0.356 6.298 1.00 0.00 H new ATOM 628 N ASP A 36 114.774 -6.752 6.306 1.00 0.00 N ATOM 629 CA ASP A 36 115.485 -7.501 5.275 1.00 0.00 C ATOM 630 C ASP A 36 114.515 -8.014 4.211 1.00 0.00 C ATOM 631 O ASP A 36 114.909 -8.302 3.080 1.00 0.00 O ATOM 632 CB ASP A 36 116.227 -8.681 5.902 1.00 0.00 C ATOM 633 CG ASP A 36 117.385 -8.175 6.753 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.895 -8.949 7.546 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.747 -7.020 6.598 1.00 0.00 O ATOM 0 H ASP A 36 114.680 -7.238 7.198 1.00 0.00 H new ATOM 0 HA ASP A 36 116.202 -6.831 4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.543 -9.267 6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.601 -9.343 5.121 1.00 0.00 H new ATOM 640 N PHE A 37 113.248 -8.130 4.588 1.00 0.00 N ATOM 641 CA PHE A 37 112.228 -8.619 3.669 1.00 0.00 C ATOM 642 C PHE A 37 112.024 -7.651 2.518 1.00 0.00 C ATOM 643 O PHE A 37 112.202 -8.008 1.354 1.00 0.00 O ATOM 644 CB PHE A 37 110.899 -8.807 4.406 1.00 0.00 C ATOM 645 CG PHE A 37 110.605 -10.282 4.560 1.00 0.00 C ATOM 646 CD1 PHE A 37 109.359 -10.789 4.171 1.00 0.00 C ATOM 647 CD2 PHE A 37 111.576 -11.141 5.087 1.00 0.00 C ATOM 648 CE1 PHE A 37 109.086 -12.156 4.306 1.00 0.00 C ATOM 649 CE2 PHE A 37 111.303 -12.508 5.222 1.00 0.00 C ATOM 650 CZ PHE A 37 110.058 -13.015 4.832 1.00 0.00 C ATOM 0 H PHE A 37 112.903 -7.894 5.518 1.00 0.00 H new ATOM 0 HA PHE A 37 112.568 -9.575 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.945 -8.331 5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.094 -8.322 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 37 108.608 -10.126 3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 37 112.536 -10.750 5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 37 108.126 -12.547 4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 37 112.053 -13.171 5.627 1.00 0.00 H new ATOM 0 HZ PHE A 37 109.847 -14.069 4.937 1.00 0.00 H new ATOM 660 N VAL A 38 111.652 -6.422 2.849 1.00 0.00 N ATOM 661 CA VAL A 38 111.427 -5.409 1.819 1.00 0.00 C ATOM 662 C VAL A 38 112.727 -5.062 1.106 1.00 0.00 C ATOM 663 O VAL A 38 112.745 -4.877 -0.105 1.00 0.00 O ATOM 664 CB VAL A 38 110.833 -4.147 2.439 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.332 -4.342 2.671 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.518 -3.876 3.773 1.00 0.00 C ATOM 0 H VAL A 38 111.501 -6.103 3.806 1.00 0.00 H new ATOM 0 HA VAL A 38 110.727 -5.819 1.091 1.00 0.00 H new ATOM 0 HB VAL A 38 110.987 -3.304 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.912 -3.439 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.840 -4.542 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 38 109.174 -5.184 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 38 111.098 -2.976 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 38 111.360 -4.722 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.587 -3.736 3.611 1.00 0.00 H new ATOM 676 N LYS A 39 113.809 -4.981 1.865 1.00 0.00 N ATOM 677 CA LYS A 39 115.111 -4.652 1.293 1.00 0.00 C ATOM 678 C LYS A 39 115.523 -5.687 0.254 1.00 0.00 C ATOM 679 O LYS A 39 116.316 -5.395 -0.642 1.00 0.00 O ATOM 680 CB LYS A 39 116.166 -4.592 2.401 1.00 0.00 C ATOM 681 CG LYS A 39 117.500 -4.122 1.816 1.00 0.00 C ATOM 682 CD LYS A 39 118.539 -4.013 2.932 1.00 0.00 C ATOM 683 CE LYS A 39 119.867 -3.527 2.348 1.00 0.00 C ATOM 684 NZ LYS A 39 120.878 -3.415 3.438 1.00 0.00 N ATOM 0 H LYS A 39 113.815 -5.137 2.873 1.00 0.00 H new ATOM 0 HA LYS A 39 115.035 -3.680 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.843 -3.911 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.284 -5.574 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.842 -4.823 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.374 -3.156 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 39 118.192 -3.321 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.674 -4.982 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.216 -4.221 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.731 -2.560 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.781 -3.085 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.545 -2.737 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 121.015 -4.346 3.882 1.00 0.00 H new ATOM 698 N ASP A 40 114.999 -6.898 0.386 1.00 0.00 N ATOM 699 CA ASP A 40 115.344 -7.965 -0.544 1.00 0.00 C ATOM 700 C ASP A 40 115.078 -7.547 -1.988 1.00 0.00 C ATOM 701 O ASP A 40 115.978 -7.594 -2.826 1.00 0.00 O ATOM 702 CB ASP A 40 114.518 -9.212 -0.224 1.00 0.00 C ATOM 703 CG ASP A 40 114.922 -10.359 -1.147 1.00 0.00 C ATOM 704 OD1 ASP A 40 114.461 -11.464 -0.922 1.00 0.00 O ATOM 705 OD2 ASP A 40 115.690 -10.113 -2.062 1.00 0.00 O ATOM 0 H ASP A 40 114.341 -7.165 1.119 1.00 0.00 H new ATOM 0 HA ASP A 40 116.407 -8.178 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 40 114.669 -9.501 0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 40 113.456 -8.995 -0.343 1.00 0.00 H new ATOM 710 N THR A 41 113.844 -7.137 -2.269 1.00 0.00 N ATOM 711 CA THR A 41 113.478 -6.711 -3.618 1.00 0.00 C ATOM 712 C THR A 41 113.136 -5.222 -3.643 1.00 0.00 C ATOM 713 O THR A 41 112.885 -4.650 -4.705 1.00 0.00 O ATOM 714 CB THR A 41 112.276 -7.527 -4.107 1.00 0.00 C ATOM 715 OG1 THR A 41 111.306 -7.606 -3.074 1.00 0.00 O ATOM 716 CG2 THR A 41 112.735 -8.936 -4.486 1.00 0.00 C ATOM 0 H THR A 41 113.086 -7.091 -1.588 1.00 0.00 H new ATOM 0 HA THR A 41 114.329 -6.880 -4.278 1.00 0.00 H new ATOM 0 HB THR A 41 111.838 -7.042 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.537 -8.126 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.880 -9.516 -4.834 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.479 -8.875 -5.280 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.173 -9.423 -3.615 1.00 0.00 H new ATOM 724 N CYS A 42 113.115 -4.603 -2.466 1.00 0.00 N ATOM 725 CA CYS A 42 112.778 -3.185 -2.357 1.00 0.00 C ATOM 726 C CYS A 42 111.551 -2.863 -3.209 1.00 0.00 C ATOM 727 O CYS A 42 111.605 -2.017 -4.103 1.00 0.00 O ATOM 728 CB CYS A 42 113.972 -2.346 -2.806 1.00 0.00 C ATOM 729 SG CYS A 42 115.497 -3.256 -2.468 1.00 0.00 S ATOM 0 H CYS A 42 113.326 -5.057 -1.578 1.00 0.00 H new ATOM 0 HA CYS A 42 112.543 -2.950 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 42 113.896 -2.123 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 42 113.980 -1.391 -2.280 1.00 0.00 H new ATOM 0 HG CYS A 42 115.243 -4.246 -1.664 1.00 0.00 H new ATOM 735 N PRO A 43 110.456 -3.535 -2.963 1.00 0.00 N ATOM 736 CA PRO A 43 109.200 -3.331 -3.743 1.00 0.00 C ATOM 737 C PRO A 43 108.602 -1.942 -3.540 1.00 0.00 C ATOM 738 O PRO A 43 108.108 -1.322 -4.482 1.00 0.00 O ATOM 739 CB PRO A 43 108.247 -4.405 -3.203 1.00 0.00 C ATOM 740 CG PRO A 43 109.101 -5.360 -2.446 1.00 0.00 C ATOM 741 CD PRO A 43 110.275 -4.555 -1.921 1.00 0.00 C ATOM 0 HA PRO A 43 109.383 -3.409 -4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.486 -3.965 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 43 107.723 -4.908 -4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.544 -5.815 -1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.442 -6.171 -3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.059 -4.109 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.166 -5.171 -1.797 1.00 0.00 H new ATOM 749 N TRP A 44 108.649 -1.463 -2.304 1.00 0.00 N ATOM 750 CA TRP A 44 108.103 -0.151 -1.979 1.00 0.00 C ATOM 751 C TRP A 44 109.087 0.946 -2.354 1.00 0.00 C ATOM 752 O TRP A 44 108.913 2.102 -1.973 1.00 0.00 O ATOM 753 CB TRP A 44 107.783 -0.068 -0.480 1.00 0.00 C ATOM 754 CG TRP A 44 106.349 -0.431 -0.243 1.00 0.00 C ATOM 755 CD1 TRP A 44 105.289 0.168 -0.831 1.00 0.00 C ATOM 756 CD2 TRP A 44 105.805 -1.465 0.628 1.00 0.00 C ATOM 757 NE1 TRP A 44 104.128 -0.432 -0.377 1.00 0.00 N ATOM 758 CE2 TRP A 44 104.394 -1.444 0.524 1.00 0.00 C ATOM 759 CE3 TRP A 44 106.392 -2.410 1.489 1.00 0.00 C ATOM 760 CZ2 TRP A 44 103.594 -2.328 1.249 1.00 0.00 C ATOM 761 CZ3 TRP A 44 105.590 -3.301 2.219 1.00 0.00 C ATOM 762 CH2 TRP A 44 104.194 -3.261 2.100 1.00 0.00 C ATOM 0 H TRP A 44 109.058 -1.960 -1.513 1.00 0.00 H new ATOM 0 HA TRP A 44 107.186 -0.011 -2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 44 108.434 -0.741 0.077 1.00 0.00 H new ATOM 0 HB3 TRP A 44 107.977 0.940 -0.113 1.00 0.00 H new ATOM 0 HD1 TRP A 44 105.340 0.982 -1.539 1.00 0.00 H new ATOM 0 HE1 TRP A 44 103.190 -0.160 -0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 44 107.467 -2.450 1.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 102.519 -2.292 1.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.052 -4.022 2.877 1.00 0.00 H new ATOM 0 HH2 TRP A 44 103.583 -3.950 2.665 1.00 0.00 H new ATOM 773 N PHE A 45 110.124 0.575 -3.098 1.00 0.00 N ATOM 774 CA PHE A 45 111.135 1.540 -3.510 1.00 0.00 C ATOM 775 C PHE A 45 111.478 2.464 -2.352 1.00 0.00 C ATOM 776 O PHE A 45 111.452 3.686 -2.492 1.00 0.00 O ATOM 777 CB PHE A 45 110.632 2.365 -4.688 1.00 0.00 C ATOM 778 CG PHE A 45 109.826 1.486 -5.610 1.00 0.00 C ATOM 779 CD1 PHE A 45 110.353 0.268 -6.060 1.00 0.00 C ATOM 780 CD2 PHE A 45 108.550 1.890 -6.019 1.00 0.00 C ATOM 781 CE1 PHE A 45 109.601 -0.544 -6.917 1.00 0.00 C ATOM 782 CE2 PHE A 45 107.799 1.077 -6.877 1.00 0.00 C ATOM 783 CZ PHE A 45 108.325 -0.140 -7.326 1.00 0.00 C ATOM 0 H PHE A 45 110.285 -0.378 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 45 112.029 0.995 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 45 110.020 3.193 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 45 111.474 2.800 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 45 111.338 -0.044 -5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 45 108.144 2.829 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 45 110.006 -1.483 -7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 45 106.814 1.389 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 45 107.746 -0.767 -7.988 1.00 0.00 H new ATOM 793 N PRO A 46 111.800 1.897 -1.220 1.00 0.00 N ATOM 794 CA PRO A 46 112.169 2.667 0.002 1.00 0.00 C ATOM 795 C PRO A 46 113.204 3.748 -0.296 1.00 0.00 C ATOM 796 O PRO A 46 113.563 4.535 0.580 1.00 0.00 O ATOM 797 CB PRO A 46 112.747 1.610 0.955 1.00 0.00 C ATOM 798 CG PRO A 46 112.884 0.359 0.148 1.00 0.00 C ATOM 799 CD PRO A 46 111.845 0.454 -0.963 1.00 0.00 C ATOM 0 HA PRO A 46 111.312 3.194 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 46 113.712 1.927 1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 46 112.089 1.453 1.809 1.00 0.00 H new ATOM 0 HG2 PRO A 46 113.889 0.270 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 46 112.714 -0.523 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 46 112.142 -0.108 -1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 46 110.876 0.066 -0.649 1.00 0.00 H new ATOM 807 N GLN A 47 113.683 3.779 -1.537 1.00 0.00 N ATOM 808 CA GLN A 47 114.681 4.770 -1.928 1.00 0.00 C ATOM 809 C GLN A 47 114.178 6.173 -1.626 1.00 0.00 C ATOM 810 O GLN A 47 114.845 6.939 -0.942 1.00 0.00 O ATOM 811 CB GLN A 47 114.974 4.649 -3.426 1.00 0.00 C ATOM 812 CG GLN A 47 115.754 3.362 -3.694 1.00 0.00 C ATOM 813 CD GLN A 47 116.079 3.248 -5.180 1.00 0.00 C ATOM 814 OE1 GLN A 47 115.684 4.105 -5.971 1.00 0.00 O ATOM 815 NE2 GLN A 47 116.791 2.240 -5.605 1.00 0.00 N ATOM 0 H GLN A 47 113.401 3.139 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 47 115.594 4.587 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 47 114.041 4.645 -3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 47 115.548 5.511 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 47 116.675 3.357 -3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 47 115.169 2.499 -3.374 1.00 0.00 H new ATOM 0 HE21 GLN A 47 117.116 1.532 -4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 47 117.022 2.160 -6.595 1.00 0.00 H new ATOM 824 N GLU A 48 112.994 6.497 -2.127 1.00 0.00 N ATOM 825 CA GLU A 48 112.405 7.811 -1.873 1.00 0.00 C ATOM 826 C GLU A 48 111.502 7.761 -0.641 1.00 0.00 C ATOM 827 O GLU A 48 111.305 8.768 0.039 1.00 0.00 O ATOM 828 CB GLU A 48 111.605 8.281 -3.088 1.00 0.00 C ATOM 829 CG GLU A 48 111.032 9.676 -2.819 1.00 0.00 C ATOM 830 CD GLU A 48 112.162 10.691 -2.687 1.00 0.00 C ATOM 831 OE1 GLU A 48 113.249 10.401 -3.160 1.00 0.00 O ATOM 832 OE2 GLU A 48 111.927 11.742 -2.114 1.00 0.00 O ATOM 0 H GLU A 48 112.425 5.879 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 48 113.213 8.519 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 48 112.245 8.304 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 48 110.797 7.580 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 48 110.365 9.966 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 48 110.436 9.663 -1.906 1.00 0.00 H new ATOM 839 N GLY A 49 110.935 6.589 -0.380 1.00 0.00 N ATOM 840 CA GLY A 49 110.032 6.422 0.752 1.00 0.00 C ATOM 841 C GLY A 49 108.587 6.673 0.333 1.00 0.00 C ATOM 842 O GLY A 49 108.050 7.760 0.542 1.00 0.00 O ATOM 0 H GLY A 49 111.083 5.745 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.129 5.414 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 49 110.309 7.112 1.549 1.00 0.00 H new ATOM 846 N THR A 50 107.965 5.660 -0.258 1.00 0.00 N ATOM 847 CA THR A 50 106.583 5.781 -0.702 1.00 0.00 C ATOM 848 C THR A 50 105.846 4.456 -0.521 1.00 0.00 C ATOM 849 O THR A 50 106.471 3.419 -0.298 1.00 0.00 O ATOM 850 CB THR A 50 106.536 6.203 -2.173 1.00 0.00 C ATOM 851 OG1 THR A 50 105.267 6.776 -2.457 1.00 0.00 O ATOM 852 CG2 THR A 50 106.765 4.986 -3.075 1.00 0.00 C ATOM 0 H THR A 50 108.392 4.752 -0.440 1.00 0.00 H new ATOM 0 HA THR A 50 106.092 6.542 -0.096 1.00 0.00 H new ATOM 0 HB THR A 50 107.320 6.936 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 50 105.234 7.049 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 50 106.730 5.296 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.741 4.551 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.988 4.245 -2.890 1.00 0.00 H new ATOM 860 N ILE A 51 104.519 4.496 -0.627 1.00 0.00 N ATOM 861 CA ILE A 51 103.717 3.287 -0.474 1.00 0.00 C ATOM 862 C ILE A 51 103.100 2.893 -1.810 1.00 0.00 C ATOM 863 O ILE A 51 102.642 3.750 -2.571 1.00 0.00 O ATOM 864 CB ILE A 51 102.601 3.523 0.533 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.073 4.530 1.583 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.260 2.199 1.217 1.00 0.00 C ATOM 867 CD1 ILE A 51 102.132 4.513 2.781 1.00 0.00 C ATOM 0 H ILE A 51 103.983 5.343 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 51 104.367 2.486 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 51 101.719 3.914 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.086 4.287 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.107 5.530 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 51 101.461 2.359 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 51 101.933 1.477 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.143 1.816 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 51 102.476 5.233 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 51 101.126 4.778 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.121 3.516 3.221 1.00 0.00 H new ATOM 879 N ASP A 52 103.082 1.596 -2.102 1.00 0.00 N ATOM 880 CA ASP A 52 102.509 1.112 -3.357 1.00 0.00 C ATOM 881 C ASP A 52 101.715 -0.172 -3.121 1.00 0.00 C ATOM 882 O ASP A 52 102.249 -1.166 -2.630 1.00 0.00 O ATOM 883 CB ASP A 52 103.627 0.828 -4.362 1.00 0.00 C ATOM 884 CG ASP A 52 103.035 0.529 -5.737 1.00 0.00 C ATOM 885 OD1 ASP A 52 101.936 0.001 -5.785 1.00 0.00 O ATOM 886 OD2 ASP A 52 103.688 0.838 -6.720 1.00 0.00 O ATOM 0 H ASP A 52 103.453 0.866 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 52 101.843 1.880 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.296 1.686 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 52 104.224 -0.018 -4.023 1.00 0.00 H new ATOM 891 N ILE A 53 100.440 -0.130 -3.472 1.00 0.00 N ATOM 892 CA ILE A 53 99.563 -1.285 -3.306 1.00 0.00 C ATOM 893 C ILE A 53 99.844 -2.351 -4.358 1.00 0.00 C ATOM 894 O ILE A 53 99.819 -3.547 -4.067 1.00 0.00 O ATOM 895 CB ILE A 53 98.095 -0.860 -3.393 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.851 0.317 -2.436 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.187 -2.041 -3.005 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.300 -0.054 -1.011 1.00 0.00 C ATOM 0 H ILE A 53 99.986 0.690 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 53 99.762 -1.708 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 53 97.865 -0.555 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.398 1.195 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.793 0.581 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.143 -1.734 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.362 -2.874 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.412 -2.353 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.122 0.788 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.734 -0.918 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.363 -0.295 -1.016 1.00 0.00 H new ATOM 910 N LYS A 54 100.088 -1.912 -5.585 1.00 0.00 N ATOM 911 CA LYS A 54 100.339 -2.844 -6.681 1.00 0.00 C ATOM 912 C LYS A 54 101.609 -3.658 -6.448 1.00 0.00 C ATOM 913 O LYS A 54 101.584 -4.893 -6.455 1.00 0.00 O ATOM 914 CB LYS A 54 100.477 -2.061 -7.993 1.00 0.00 C ATOM 915 CG LYS A 54 99.143 -1.390 -8.334 1.00 0.00 C ATOM 916 CD LYS A 54 99.296 -0.565 -9.615 1.00 0.00 C ATOM 917 CE LYS A 54 97.956 0.085 -9.969 1.00 0.00 C ATOM 918 NZ LYS A 54 98.118 0.919 -11.195 1.00 0.00 N ATOM 0 H LYS A 54 100.118 -0.927 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 54 99.497 -3.534 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 54 101.260 -1.309 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 54 100.775 -2.732 -8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 54 98.368 -2.145 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 54 98.826 -0.748 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 54 100.059 0.202 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 54 99.630 -1.203 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 54 97.200 -0.682 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 54 97.608 0.701 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 97.208 1.361 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 98.827 1.659 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 98.432 0.319 -11.984 1.00 0.00 H new ATOM 932 N ARG A 55 102.715 -2.965 -6.240 1.00 0.00 N ATOM 933 CA ARG A 55 103.988 -3.632 -6.017 1.00 0.00 C ATOM 934 C ARG A 55 103.919 -4.494 -4.766 1.00 0.00 C ATOM 935 O ARG A 55 104.544 -5.551 -4.695 1.00 0.00 O ATOM 936 CB ARG A 55 105.108 -2.592 -5.874 1.00 0.00 C ATOM 937 CG ARG A 55 105.138 -1.679 -7.106 1.00 0.00 C ATOM 938 CD ARG A 55 105.756 -2.412 -8.300 1.00 0.00 C ATOM 939 NE ARG A 55 105.968 -1.481 -9.400 1.00 0.00 N ATOM 940 CZ ARG A 55 105.009 -1.228 -10.284 1.00 0.00 C ATOM 941 NH1 ARG A 55 105.229 -0.397 -11.266 1.00 0.00 N ATOM 942 NH2 ARG A 55 103.846 -1.810 -10.170 1.00 0.00 N ATOM 0 H ARG A 55 102.759 -1.946 -6.221 1.00 0.00 H new ATOM 0 HA ARG A 55 104.203 -4.271 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.950 -1.997 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 55 106.069 -3.094 -5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 55 104.126 -1.358 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 55 105.713 -0.780 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 55 106.703 -2.865 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 55 105.100 -3.222 -8.619 1.00 0.00 H new ATOM 0 HE ARG A 55 106.870 -1.014 -9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 55 106.137 0.058 -11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 55 104.493 -0.203 -11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 55 103.674 -2.459 -9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 55 103.110 -1.616 -10.849 1.00 0.00 H new ATOM 956 N TRP A 56 103.166 -4.032 -3.777 1.00 0.00 N ATOM 957 CA TRP A 56 103.044 -4.770 -2.535 1.00 0.00 C ATOM 958 C TRP A 56 102.516 -6.172 -2.796 1.00 0.00 C ATOM 959 O TRP A 56 102.972 -7.146 -2.196 1.00 0.00 O ATOM 960 CB TRP A 56 102.112 -4.038 -1.575 1.00 0.00 C ATOM 961 CG TRP A 56 101.777 -4.931 -0.420 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.522 -5.259 -0.038 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.677 -5.609 0.505 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.593 -6.093 1.063 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.900 -6.339 1.435 1.00 0.00 C ATOM 966 CE3 TRP A 56 104.077 -5.659 0.627 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.491 -7.093 2.450 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.675 -6.418 1.646 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.884 -7.133 2.556 1.00 0.00 C ATOM 0 H TRP A 56 102.638 -3.160 -3.812 1.00 0.00 H new ATOM 0 HA TRP A 56 104.033 -4.846 -2.084 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.587 -3.125 -1.216 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.201 -3.740 -2.093 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.613 -4.924 -0.515 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.779 -6.479 1.542 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.696 -5.110 -0.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.876 -7.642 3.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.751 -6.451 1.729 1.00 0.00 H new ATOM 0 HH2 TRP A 56 104.350 -7.714 3.338 1.00 0.00 H new ATOM 980 N ARG A 57 101.544 -6.268 -3.691 1.00 0.00 N ATOM 981 CA ARG A 57 100.954 -7.558 -4.027 1.00 0.00 C ATOM 982 C ARG A 57 101.982 -8.461 -4.694 1.00 0.00 C ATOM 983 O ARG A 57 102.012 -9.667 -4.450 1.00 0.00 O ATOM 984 CB ARG A 57 99.757 -7.376 -4.969 1.00 0.00 C ATOM 985 CG ARG A 57 98.600 -6.720 -4.212 1.00 0.00 C ATOM 986 CD ARG A 57 97.330 -6.809 -5.056 1.00 0.00 C ATOM 987 NE ARG A 57 97.523 -6.142 -6.339 1.00 0.00 N ATOM 988 CZ ARG A 57 97.239 -4.853 -6.503 1.00 0.00 C ATOM 989 NH1 ARG A 57 97.423 -4.287 -7.663 1.00 0.00 N ATOM 990 NH2 ARG A 57 96.775 -4.156 -5.502 1.00 0.00 N ATOM 0 H ARG A 57 101.148 -5.475 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 57 100.616 -8.021 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 57 100.043 -6.759 -5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.444 -8.342 -5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 57 98.449 -7.217 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.835 -5.678 -3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 57 97.066 -7.854 -5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 57 96.498 -6.350 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 57 97.884 -6.677 -7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 57 97.785 -4.833 -8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 57 97.205 -3.298 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 57 96.631 -4.600 -4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 57 96.557 -3.167 -5.627 1.00 0.00 H new ATOM 1004 N ARG A 58 102.822 -7.875 -5.540 1.00 0.00 N ATOM 1005 CA ARG A 58 103.843 -8.656 -6.236 1.00 0.00 C ATOM 1006 C ARG A 58 104.775 -9.347 -5.247 1.00 0.00 C ATOM 1007 O ARG A 58 105.023 -10.547 -5.350 1.00 0.00 O ATOM 1008 CB ARG A 58 104.666 -7.744 -7.147 1.00 0.00 C ATOM 1009 CG ARG A 58 103.830 -7.342 -8.363 1.00 0.00 C ATOM 1010 CD ARG A 58 104.666 -6.454 -9.288 1.00 0.00 C ATOM 1011 NE ARG A 58 103.880 -6.056 -10.450 1.00 0.00 N ATOM 1012 CZ ARG A 58 104.459 -5.527 -11.523 1.00 0.00 C ATOM 1013 NH1 ARG A 58 103.733 -5.176 -12.549 1.00 0.00 N ATOM 1014 NH2 ARG A 58 105.753 -5.359 -11.551 1.00 0.00 N ATOM 0 H ARG A 58 102.819 -6.879 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 58 103.337 -9.417 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.981 -6.855 -6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.572 -8.257 -7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 58 103.497 -8.231 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.935 -6.809 -8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 58 105.003 -5.569 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 58 105.559 -6.990 -9.610 1.00 0.00 H new ATOM 0 HE ARG A 58 102.868 -6.186 -10.439 1.00 0.00 H new ATOM 0 HH11 ARG A 58 102.722 -5.308 -12.527 1.00 0.00 H new ATOM 0 HH12 ARG A 58 104.177 -4.770 -13.373 1.00 0.00 H new ATOM 0 HH21 ARG A 58 106.320 -5.634 -10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 58 106.197 -4.953 -12.375 1.00 0.00 H new ATOM 1028 N VAL A 59 105.277 -8.587 -4.284 1.00 0.00 N ATOM 1029 CA VAL A 59 106.172 -9.144 -3.271 1.00 0.00 C ATOM 1030 C VAL A 59 105.409 -10.067 -2.328 1.00 0.00 C ATOM 1031 O VAL A 59 105.942 -11.076 -1.871 1.00 0.00 O ATOM 1032 CB VAL A 59 106.830 -8.015 -2.474 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.752 -7.088 -1.918 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.628 -8.611 -1.314 1.00 0.00 C ATOM 0 H VAL A 59 105.084 -7.591 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 59 106.944 -9.724 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 59 107.496 -7.451 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 59 106.221 -6.284 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 59 105.177 -6.664 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 59 105.087 -7.653 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 59 108.097 -7.808 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.959 -9.174 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.397 -9.276 -1.706 1.00 0.00 H new ATOM 1044 N GLY A 60 104.163 -9.710 -2.038 1.00 0.00 N ATOM 1045 CA GLY A 60 103.341 -10.514 -1.142 1.00 0.00 C ATOM 1046 C GLY A 60 103.079 -11.895 -1.730 1.00 0.00 C ATOM 1047 O GLY A 60 103.182 -12.906 -1.034 1.00 0.00 O ATOM 0 H GLY A 60 103.703 -8.877 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.840 -10.614 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.393 -10.007 -0.960 1.00 0.00 H new ATOM 1051 N ASP A 61 102.738 -11.929 -3.013 1.00 0.00 N ATOM 1052 CA ASP A 61 102.465 -13.193 -3.689 1.00 0.00 C ATOM 1053 C ASP A 61 103.759 -13.963 -3.933 1.00 0.00 C ATOM 1054 O ASP A 61 103.809 -15.179 -3.774 1.00 0.00 O ATOM 1055 CB ASP A 61 101.765 -12.932 -5.024 1.00 0.00 C ATOM 1056 CG ASP A 61 101.435 -14.256 -5.705 1.00 0.00 C ATOM 1057 OD1 ASP A 61 100.830 -14.220 -6.763 1.00 0.00 O ATOM 1058 OD2 ASP A 61 101.788 -15.286 -5.156 1.00 0.00 O ATOM 0 H ASP A 61 102.644 -11.102 -3.603 1.00 0.00 H new ATOM 0 HA ASP A 61 101.816 -13.791 -3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 61 100.852 -12.360 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 61 102.406 -12.331 -5.669 1.00 0.00 H new ATOM 1063 N CYS A 62 104.803 -13.241 -4.326 1.00 0.00 N ATOM 1064 CA CYS A 62 106.094 -13.865 -4.594 1.00 0.00 C ATOM 1065 C CYS A 62 106.640 -14.536 -3.337 1.00 0.00 C ATOM 1066 O CYS A 62 107.259 -15.602 -3.408 1.00 0.00 O ATOM 1067 CB CYS A 62 107.094 -12.815 -5.085 1.00 0.00 C ATOM 1068 SG CYS A 62 106.609 -12.238 -6.731 1.00 0.00 S ATOM 0 H CYS A 62 104.782 -12.231 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 62 105.952 -14.622 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.127 -11.976 -4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 62 108.097 -13.241 -5.119 1.00 0.00 H new ATOM 0 HG CYS A 62 105.763 -11.258 -6.615 1.00 0.00 H new ATOM 1074 N PHE A 63 106.394 -13.918 -2.188 1.00 0.00 N ATOM 1075 CA PHE A 63 106.855 -14.470 -0.921 1.00 0.00 C ATOM 1076 C PHE A 63 105.898 -15.541 -0.414 1.00 0.00 C ATOM 1077 O PHE A 63 106.324 -16.576 0.091 1.00 0.00 O ATOM 1078 CB PHE A 63 106.981 -13.356 0.117 1.00 0.00 C ATOM 1079 CG PHE A 63 108.378 -12.783 0.071 1.00 0.00 C ATOM 1080 CD1 PHE A 63 109.239 -12.960 1.161 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.813 -12.076 -1.056 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.535 -12.431 1.123 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.110 -11.548 -1.095 1.00 0.00 C ATOM 1084 CZ PHE A 63 110.971 -11.725 -0.005 1.00 0.00 C ATOM 0 H PHE A 63 105.881 -13.040 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 63 107.831 -14.928 -1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.248 -12.574 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.768 -13.746 1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 63 108.903 -13.505 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 63 108.148 -11.937 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 63 111.199 -12.568 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.446 -11.004 -1.966 1.00 0.00 H new ATOM 0 HZ PHE A 63 111.971 -11.317 -0.034 1.00 0.00 H new ATOM 1094 N GLN A 64 104.601 -15.282 -0.545 1.00 0.00 N ATOM 1095 CA GLN A 64 103.595 -16.233 -0.090 1.00 0.00 C ATOM 1096 C GLN A 64 103.676 -17.520 -0.897 1.00 0.00 C ATOM 1097 O GLN A 64 103.561 -18.613 -0.350 1.00 0.00 O ATOM 1098 CB GLN A 64 102.199 -15.623 -0.226 1.00 0.00 C ATOM 1099 CG GLN A 64 101.157 -16.597 0.328 1.00 0.00 C ATOM 1100 CD GLN A 64 99.779 -15.943 0.325 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.668 -14.726 0.472 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.716 -16.683 0.165 1.00 0.00 N ATOM 0 H GLN A 64 104.225 -14.429 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 64 103.785 -16.464 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 64 102.150 -14.677 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.987 -15.404 -1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 64 101.139 -17.505 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.426 -16.893 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 64 98.810 -17.691 0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.791 -16.253 0.162 1.00 0.00 H new ATOM 1111 N ASP A 65 103.877 -17.384 -2.199 1.00 0.00 N ATOM 1112 CA ASP A 65 103.978 -18.545 -3.071 1.00 0.00 C ATOM 1113 C ASP A 65 105.203 -19.382 -2.712 1.00 0.00 C ATOM 1114 O ASP A 65 105.099 -20.591 -2.501 1.00 0.00 O ATOM 1115 CB ASP A 65 104.087 -18.088 -4.522 1.00 0.00 C ATOM 1116 CG ASP A 65 104.368 -19.286 -5.424 1.00 0.00 C ATOM 1117 OD1 ASP A 65 104.192 -20.401 -4.964 1.00 0.00 O ATOM 1118 OD2 ASP A 65 104.756 -19.070 -6.562 1.00 0.00 O ATOM 0 H ASP A 65 103.973 -16.486 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 65 103.084 -19.155 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 65 103.162 -17.600 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.885 -17.352 -4.622 1.00 0.00 H new ATOM 1123 N TYR A 66 106.361 -18.729 -2.643 1.00 0.00 N ATOM 1124 CA TYR A 66 107.599 -19.426 -2.309 1.00 0.00 C ATOM 1125 C TYR A 66 107.535 -19.985 -0.891 1.00 0.00 C ATOM 1126 O TYR A 66 107.952 -21.109 -0.634 1.00 0.00 O ATOM 1127 CB TYR A 66 108.788 -18.475 -2.438 1.00 0.00 C ATOM 1128 CG TYR A 66 110.056 -19.202 -2.051 1.00 0.00 C ATOM 1129 CD1 TYR A 66 110.508 -20.274 -2.830 1.00 0.00 C ATOM 1130 CD2 TYR A 66 110.780 -18.802 -0.922 1.00 0.00 C ATOM 1131 CE1 TYR A 66 111.686 -20.946 -2.478 1.00 0.00 C ATOM 1132 CE2 TYR A 66 111.957 -19.473 -0.572 1.00 0.00 C ATOM 1133 CZ TYR A 66 112.410 -20.545 -1.349 1.00 0.00 C ATOM 1134 OH TYR A 66 113.571 -21.208 -1.004 1.00 0.00 O ATOM 0 H TYR A 66 106.467 -17.729 -2.812 1.00 0.00 H new ATOM 0 HA TYR A 66 107.726 -20.255 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.864 -18.107 -3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 66 108.644 -17.606 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 66 109.949 -20.583 -3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 66 110.430 -17.976 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 66 112.035 -21.773 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 66 112.516 -19.163 0.298 1.00 0.00 H new ATOM 0 HH TYR A 66 113.951 -20.804 -0.196 1.00 0.00 H new ATOM 1144 N TYR A 67 107.014 -19.185 0.027 1.00 0.00 N ATOM 1145 CA TYR A 67 106.900 -19.604 1.418 1.00 0.00 C ATOM 1146 C TYR A 67 105.914 -20.757 1.554 1.00 0.00 C ATOM 1147 O TYR A 67 106.117 -21.671 2.349 1.00 0.00 O ATOM 1148 CB TYR A 67 106.444 -18.428 2.290 1.00 0.00 C ATOM 1149 CG TYR A 67 106.271 -18.885 3.720 1.00 0.00 C ATOM 1150 CD1 TYR A 67 105.017 -18.798 4.337 1.00 0.00 C ATOM 1151 CD2 TYR A 67 107.365 -19.400 4.426 1.00 0.00 C ATOM 1152 CE1 TYR A 67 104.858 -19.226 5.662 1.00 0.00 C ATOM 1153 CE2 TYR A 67 107.205 -19.827 5.749 1.00 0.00 C ATOM 1154 CZ TYR A 67 105.952 -19.741 6.367 1.00 0.00 C ATOM 1155 OH TYR A 67 105.795 -20.164 7.671 1.00 0.00 O ATOM 0 H TYR A 67 106.665 -18.246 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 67 107.881 -19.941 1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 67 107.177 -17.623 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 67 105.504 -18.026 1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 67 104.173 -18.401 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 67 108.332 -19.468 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.891 -19.158 6.139 1.00 0.00 H new ATOM 0 HE2 TYR A 67 108.049 -20.223 6.294 1.00 0.00 H new ATOM 0 HH TYR A 67 106.652 -20.494 8.013 1.00 0.00 H new ATOM 1165 N ASN A 68 104.835 -20.696 0.784 1.00 0.00 N ATOM 1166 CA ASN A 68 103.810 -21.729 0.836 1.00 0.00 C ATOM 1167 C ASN A 68 104.371 -23.083 0.417 1.00 0.00 C ATOM 1168 O ASN A 68 104.054 -24.109 1.018 1.00 0.00 O ATOM 1169 CB ASN A 68 102.649 -21.364 -0.088 1.00 0.00 C ATOM 1170 CG ASN A 68 101.779 -20.294 0.563 1.00 0.00 C ATOM 1171 OD1 ASN A 68 100.618 -20.124 0.191 1.00 0.00 O ATOM 1172 ND2 ASN A 68 102.279 -19.553 1.513 1.00 0.00 N ATOM 0 H ASN A 68 104.648 -19.945 0.119 1.00 0.00 H new ATOM 0 HA ASN A 68 103.459 -21.797 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 68 103.033 -21.001 -1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.051 -22.250 -0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.708 -18.830 1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 68 103.241 -19.697 1.819 1.00 0.00 H new ATOM 1179 N THR A 69 105.202 -23.080 -0.619 1.00 0.00 N ATOM 1180 CA THR A 69 105.796 -24.322 -1.116 1.00 0.00 C ATOM 1181 C THR A 69 106.383 -25.135 0.030 1.00 0.00 C ATOM 1182 O THR A 69 106.553 -26.349 -0.084 1.00 0.00 O ATOM 1183 CB THR A 69 106.884 -24.010 -2.151 1.00 0.00 C ATOM 1184 OG1 THR A 69 107.909 -23.240 -1.542 1.00 0.00 O ATOM 1185 CG2 THR A 69 106.274 -23.218 -3.309 1.00 0.00 C ATOM 0 H THR A 69 105.480 -22.242 -1.129 1.00 0.00 H new ATOM 0 HA THR A 69 105.012 -24.912 -1.591 1.00 0.00 H new ATOM 0 HB THR A 69 107.304 -24.942 -2.529 1.00 0.00 H new ATOM 0 HG1 THR A 69 107.582 -22.331 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 69 107.047 -22.996 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 69 105.486 -23.807 -3.777 1.00 0.00 H new ATOM 0 HG23 THR A 69 105.854 -22.286 -2.931 1.00 0.00 H new ATOM 1193 N PHE A 70 106.690 -24.463 1.128 1.00 0.00 N ATOM 1194 CA PHE A 70 107.256 -25.140 2.284 1.00 0.00 C ATOM 1195 C PHE A 70 106.153 -25.659 3.199 1.00 0.00 C ATOM 1196 O PHE A 70 106.401 -25.998 4.356 1.00 0.00 O ATOM 1197 CB PHE A 70 108.167 -24.188 3.064 1.00 0.00 C ATOM 1198 CG PHE A 70 109.536 -24.161 2.431 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.895 -23.115 1.572 1.00 0.00 C ATOM 1200 CD2 PHE A 70 110.447 -25.190 2.701 1.00 0.00 C ATOM 1201 CE1 PHE A 70 111.167 -23.096 0.986 1.00 0.00 C ATOM 1202 CE2 PHE A 70 111.718 -25.171 2.115 1.00 0.00 C ATOM 1203 CZ PHE A 70 112.077 -24.125 1.258 1.00 0.00 C ATOM 0 H PHE A 70 106.558 -23.458 1.243 1.00 0.00 H new ATOM 0 HA PHE A 70 107.843 -25.986 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 70 107.740 -23.185 3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 70 108.242 -24.511 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 70 109.191 -22.323 1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 70 110.169 -25.998 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 70 111.446 -22.289 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 70 112.421 -25.963 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 70 113.058 -24.111 0.806 1.00 0.00 H new ATOM 1213 N GLY A 71 104.931 -25.702 2.677 1.00 0.00 N ATOM 1214 CA GLY A 71 103.789 -26.164 3.456 1.00 0.00 C ATOM 1215 C GLY A 71 103.863 -25.647 4.891 1.00 0.00 C ATOM 1216 O GLY A 71 103.878 -26.430 5.841 1.00 0.00 O ATOM 0 H GLY A 71 104.707 -25.424 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 71 102.864 -25.824 2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 71 103.762 -27.254 3.459 1.00 0.00 H new ATOM 1220 N PRO A 72 103.913 -24.351 5.061 1.00 0.00 N ATOM 1221 CA PRO A 72 103.988 -23.717 6.407 1.00 0.00 C ATOM 1222 C PRO A 72 102.632 -23.673 7.104 1.00 0.00 C ATOM 1223 O PRO A 72 101.641 -23.225 6.526 1.00 0.00 O ATOM 1224 CB PRO A 72 104.486 -22.310 6.103 1.00 0.00 C ATOM 1225 CG PRO A 72 104.013 -22.009 4.718 1.00 0.00 C ATOM 1226 CD PRO A 72 103.898 -23.346 3.987 1.00 0.00 C ATOM 0 HA PRO A 72 104.633 -24.272 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 72 104.089 -21.590 6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 72 105.573 -22.256 6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.051 -21.498 4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.713 -21.348 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.979 -23.402 3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.726 -23.493 3.294 1.00 0.00 H new ATOM 1234 N GLU A 73 102.596 -24.136 8.347 1.00 0.00 N ATOM 1235 CA GLU A 73 101.360 -24.137 9.116 1.00 0.00 C ATOM 1236 C GLU A 73 101.191 -22.817 9.861 1.00 0.00 C ATOM 1237 O GLU A 73 100.079 -22.437 10.230 1.00 0.00 O ATOM 1238 CB GLU A 73 101.365 -25.301 10.110 1.00 0.00 C ATOM 1239 CG GLU A 73 100.026 -25.350 10.849 1.00 0.00 C ATOM 1240 CD GLU A 73 99.980 -26.568 11.764 1.00 0.00 C ATOM 1241 OE1 GLU A 73 98.910 -26.862 12.273 1.00 0.00 O ATOM 1242 OE2 GLU A 73 101.013 -27.192 11.942 1.00 0.00 O ATOM 0 H GLU A 73 103.404 -24.514 8.841 1.00 0.00 H new ATOM 0 HA GLU A 73 100.523 -24.256 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.537 -26.240 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.181 -25.181 10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 73 99.891 -24.440 11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 73 99.207 -25.393 10.131 1.00 0.00 H new ATOM 1249 N LYS A 74 102.304 -22.131 10.094 1.00 0.00 N ATOM 1250 CA LYS A 74 102.269 -20.867 10.815 1.00 0.00 C ATOM 1251 C LYS A 74 101.536 -19.807 10.019 1.00 0.00 C ATOM 1252 O LYS A 74 100.677 -19.117 10.568 1.00 0.00 O ATOM 1253 CB LYS A 74 103.694 -20.389 11.108 1.00 0.00 C ATOM 1254 CG LYS A 74 104.572 -21.591 11.492 1.00 0.00 C ATOM 1255 CD LYS A 74 103.922 -22.360 12.643 1.00 0.00 C ATOM 1256 CE LYS A 74 104.887 -23.429 13.151 1.00 0.00 C ATOM 1257 NZ LYS A 74 104.294 -24.100 14.341 1.00 0.00 N ATOM 0 H LYS A 74 103.234 -22.427 9.797 1.00 0.00 H new ATOM 0 HA LYS A 74 101.737 -21.029 11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 74 104.108 -19.888 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 74 103.684 -19.659 11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 74 104.702 -22.247 10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 74 105.565 -21.249 11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 74 103.663 -21.676 13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 74 102.994 -22.823 12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 74 105.084 -24.160 12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 74 105.844 -22.977 13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 104.948 -24.829 14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 104.128 -23.397 15.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 103.391 -24.543 14.076 1.00 0.00 H new ATOM 1271 N VAL A 75 101.878 -19.697 8.730 1.00 0.00 N ATOM 1272 CA VAL A 75 101.254 -18.717 7.839 1.00 0.00 C ATOM 1273 C VAL A 75 100.615 -17.586 8.639 1.00 0.00 C ATOM 1274 O VAL A 75 99.406 -17.591 8.872 1.00 0.00 O ATOM 1275 CB VAL A 75 100.196 -19.397 6.979 1.00 0.00 C ATOM 1276 CG1 VAL A 75 99.567 -18.366 6.040 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.860 -20.497 6.149 1.00 0.00 C ATOM 0 H VAL A 75 102.586 -20.278 8.281 1.00 0.00 H new ATOM 0 HA VAL A 75 102.028 -18.295 7.198 1.00 0.00 H new ATOM 0 HB VAL A 75 99.424 -19.829 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.810 -18.850 5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 75 99.104 -17.573 6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 75 100.338 -17.939 5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 75 100.110 -20.989 5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.626 -20.058 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 75 101.318 -21.229 6.815 1.00 0.00 H new ATOM 1287 N PRO A 76 101.402 -16.642 9.089 1.00 0.00 N ATOM 1288 CA PRO A 76 100.895 -15.505 9.910 1.00 0.00 C ATOM 1289 C PRO A 76 99.796 -14.733 9.189 1.00 0.00 C ATOM 1290 O PRO A 76 99.976 -14.279 8.060 1.00 0.00 O ATOM 1291 CB PRO A 76 102.137 -14.630 10.123 1.00 0.00 C ATOM 1292 CG PRO A 76 103.299 -15.542 9.905 1.00 0.00 C ATOM 1293 CD PRO A 76 102.847 -16.550 8.864 1.00 0.00 C ATOM 0 HA PRO A 76 100.442 -15.837 10.844 1.00 0.00 H new ATOM 0 HB2 PRO A 76 102.155 -13.795 9.423 1.00 0.00 H new ATOM 0 HB3 PRO A 76 102.152 -14.205 11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.171 -14.987 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 76 103.585 -16.039 10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.076 -16.214 7.853 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.337 -17.514 8.998 1.00 0.00 H new ATOM 1301 N VAL A 77 98.662 -14.590 9.856 1.00 0.00 N ATOM 1302 CA VAL A 77 97.527 -13.867 9.283 1.00 0.00 C ATOM 1303 C VAL A 77 97.675 -12.366 9.493 1.00 0.00 C ATOM 1304 O VAL A 77 96.998 -11.568 8.844 1.00 0.00 O ATOM 1305 CB VAL A 77 96.216 -14.358 9.899 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.056 -13.505 9.378 1.00 0.00 C ATOM 1307 CG2 VAL A 77 95.980 -15.833 9.509 1.00 0.00 C ATOM 0 H VAL A 77 98.499 -14.962 10.792 1.00 0.00 H new ATOM 0 HA VAL A 77 97.509 -14.063 8.211 1.00 0.00 H new ATOM 0 HB VAL A 77 96.274 -14.274 10.984 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.122 -13.855 9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 77 95.218 -12.463 9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.001 -13.589 8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.045 -16.181 9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 77 95.924 -15.918 8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 77 96.804 -16.443 9.878 1.00 0.00 H new ATOM 1317 N THR A 78 98.551 -11.988 10.416 1.00 0.00 N ATOM 1318 CA THR A 78 98.767 -10.581 10.720 1.00 0.00 C ATOM 1319 C THR A 78 98.948 -9.779 9.438 1.00 0.00 C ATOM 1320 O THR A 78 98.767 -8.562 9.424 1.00 0.00 O ATOM 1321 CB THR A 78 100.001 -10.423 11.613 1.00 0.00 C ATOM 1322 OG1 THR A 78 101.143 -10.913 10.925 1.00 0.00 O ATOM 1323 CG2 THR A 78 99.805 -11.215 12.908 1.00 0.00 C ATOM 0 H THR A 78 99.120 -12.633 10.964 1.00 0.00 H new ATOM 0 HA THR A 78 97.892 -10.201 11.247 1.00 0.00 H new ATOM 0 HB THR A 78 100.143 -9.370 11.855 1.00 0.00 H new ATOM 0 HG1 THR A 78 101.935 -10.812 11.493 1.00 0.00 H new ATOM 0 HG21 THR A 78 100.685 -11.101 13.541 1.00 0.00 H new ATOM 0 HG22 THR A 78 98.928 -10.840 13.435 1.00 0.00 H new ATOM 0 HG23 THR A 78 99.663 -12.270 12.672 1.00 0.00 H new ATOM 1331 N ALA A 79 99.308 -10.467 8.362 1.00 0.00 N ATOM 1332 CA ALA A 79 99.513 -9.808 7.079 1.00 0.00 C ATOM 1333 C ALA A 79 98.250 -9.065 6.646 1.00 0.00 C ATOM 1334 O ALA A 79 98.306 -8.110 5.862 1.00 0.00 O ATOM 1335 CB ALA A 79 99.871 -10.852 6.019 1.00 0.00 C ATOM 0 H ALA A 79 99.463 -11.475 8.352 1.00 0.00 H new ATOM 0 HA ALA A 79 100.326 -9.089 7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.024 -10.358 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 79 100.785 -11.369 6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 79 99.059 -11.574 5.930 1.00 0.00 H new ATOM 1341 N PHE A 80 97.111 -9.504 7.169 1.00 0.00 N ATOM 1342 CA PHE A 80 95.835 -8.878 6.838 1.00 0.00 C ATOM 1343 C PHE A 80 95.742 -7.484 7.451 1.00 0.00 C ATOM 1344 O PHE A 80 95.069 -6.604 6.915 1.00 0.00 O ATOM 1345 CB PHE A 80 94.677 -9.743 7.345 1.00 0.00 C ATOM 1346 CG PHE A 80 93.365 -9.104 6.959 1.00 0.00 C ATOM 1347 CD1 PHE A 80 92.533 -8.560 7.946 1.00 0.00 C ATOM 1348 CD2 PHE A 80 92.980 -9.055 5.613 1.00 0.00 C ATOM 1349 CE1 PHE A 80 91.316 -7.968 7.587 1.00 0.00 C ATOM 1350 CE2 PHE A 80 91.763 -8.463 5.254 1.00 0.00 C ATOM 1351 CZ PHE A 80 90.931 -7.919 6.241 1.00 0.00 C ATOM 0 H PHE A 80 97.044 -10.286 7.820 1.00 0.00 H new ATOM 0 HA PHE A 80 95.770 -8.788 5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 80 94.745 -10.745 6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 80 94.737 -9.851 8.428 1.00 0.00 H new ATOM 0 HD1 PHE A 80 92.830 -8.597 8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 80 93.622 -9.474 4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 80 90.674 -7.549 8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 80 91.466 -8.426 4.216 1.00 0.00 H new ATOM 0 HZ PHE A 80 89.993 -7.462 5.964 1.00 0.00 H new ATOM 1361 N SER A 81 96.423 -7.289 8.576 1.00 0.00 N ATOM 1362 CA SER A 81 96.416 -5.996 9.248 1.00 0.00 C ATOM 1363 C SER A 81 97.216 -4.974 8.448 1.00 0.00 C ATOM 1364 O SER A 81 96.847 -3.801 8.373 1.00 0.00 O ATOM 1365 CB SER A 81 97.006 -6.133 10.651 1.00 0.00 C ATOM 1366 OG SER A 81 96.105 -6.871 11.466 1.00 0.00 O ATOM 0 H SER A 81 96.983 -8.005 9.038 1.00 0.00 H new ATOM 0 HA SER A 81 95.385 -5.651 9.324 1.00 0.00 H new ATOM 0 HB2 SER A 81 97.971 -6.638 10.605 1.00 0.00 H new ATOM 0 HB3 SER A 81 97.182 -5.148 11.082 1.00 0.00 H new ATOM 0 HG SER A 81 96.479 -6.963 12.367 1.00 0.00 H new ATOM 1372 N TYR A 82 98.319 -5.425 7.857 1.00 0.00 N ATOM 1373 CA TYR A 82 99.164 -4.540 7.067 1.00 0.00 C ATOM 1374 C TYR A 82 98.393 -3.961 5.894 1.00 0.00 C ATOM 1375 O TYR A 82 98.410 -2.754 5.667 1.00 0.00 O ATOM 1376 CB TYR A 82 100.374 -5.307 6.536 1.00 0.00 C ATOM 1377 CG TYR A 82 101.526 -5.172 7.499 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.447 -4.130 7.344 1.00 0.00 C ATOM 1379 CD2 TYR A 82 101.673 -6.086 8.550 1.00 0.00 C ATOM 1380 CE1 TYR A 82 103.515 -4.001 8.240 1.00 0.00 C ATOM 1381 CE2 TYR A 82 102.741 -5.956 9.445 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.662 -4.914 9.290 1.00 0.00 C ATOM 1383 OH TYR A 82 104.717 -4.788 10.172 1.00 0.00 O ATOM 0 H TYR A 82 98.645 -6.390 7.910 1.00 0.00 H new ATOM 0 HA TYR A 82 99.495 -3.726 7.712 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.120 -6.359 6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 82 100.659 -4.922 5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 82 102.334 -3.425 6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 82 100.963 -6.891 8.670 1.00 0.00 H new ATOM 0 HE1 TYR A 82 104.226 -3.197 8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 82 102.854 -6.660 10.256 1.00 0.00 H new ATOM 0 HH TYR A 82 104.671 -5.502 10.841 1.00 0.00 H new ATOM 1393 N TRP A 83 97.716 -4.829 5.151 1.00 0.00 N ATOM 1394 CA TRP A 83 96.947 -4.381 3.995 1.00 0.00 C ATOM 1395 C TRP A 83 95.869 -3.395 4.409 1.00 0.00 C ATOM 1396 O TRP A 83 95.681 -2.373 3.759 1.00 0.00 O ATOM 1397 CB TRP A 83 96.295 -5.578 3.304 1.00 0.00 C ATOM 1398 CG TRP A 83 97.274 -6.705 3.239 1.00 0.00 C ATOM 1399 CD1 TRP A 83 98.619 -6.568 3.278 1.00 0.00 C ATOM 1400 CD2 TRP A 83 97.011 -8.133 3.133 1.00 0.00 C ATOM 1401 NE1 TRP A 83 99.198 -7.821 3.202 1.00 0.00 N ATOM 1402 CE2 TRP A 83 98.249 -8.819 3.111 1.00 0.00 C ATOM 1403 CE3 TRP A 83 95.830 -8.894 3.053 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 98.313 -10.209 3.012 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 95.892 -10.294 2.954 1.00 0.00 C ATOM 1406 CH2 TRP A 83 97.130 -10.950 2.934 1.00 0.00 C ATOM 0 H TRP A 83 97.683 -5.834 5.324 1.00 0.00 H new ATOM 0 HA TRP A 83 97.632 -3.886 3.307 1.00 0.00 H new ATOM 0 HB2 TRP A 83 95.404 -5.887 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 83 95.974 -5.302 2.300 1.00 0.00 H new ATOM 0 HD1 TRP A 83 99.153 -5.633 3.356 1.00 0.00 H new ATOM 0 HE1 TRP A 83 100.204 -7.988 3.212 1.00 0.00 H new ATOM 0 HE3 TRP A 83 94.870 -8.399 3.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 99.270 -10.709 2.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 94.979 -10.868 2.893 1.00 0.00 H new ATOM 0 HH2 TRP A 83 97.170 -12.027 2.858 1.00 0.00 H new ATOM 1417 N ASN A 84 95.160 -3.709 5.485 1.00 0.00 N ATOM 1418 CA ASN A 84 94.094 -2.837 5.965 1.00 0.00 C ATOM 1419 C ASN A 84 94.636 -1.485 6.421 1.00 0.00 C ATOM 1420 O ASN A 84 94.065 -0.431 6.106 1.00 0.00 O ATOM 1421 CB ASN A 84 93.371 -3.506 7.140 1.00 0.00 C ATOM 1422 CG ASN A 84 92.407 -4.570 6.630 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.269 -4.756 5.421 1.00 0.00 O ATOM 1424 ND2 ASN A 84 91.728 -5.287 7.485 1.00 0.00 N ATOM 0 H ASN A 84 95.301 -4.554 6.039 1.00 0.00 H new ATOM 0 HA ASN A 84 93.404 -2.670 5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.099 -3.958 7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 84 92.826 -2.757 7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.082 -6.002 7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.844 -5.131 8.486 1.00 0.00 H new ATOM 1431 N LEU A 85 95.745 -1.507 7.158 1.00 0.00 N ATOM 1432 CA LEU A 85 96.341 -0.280 7.647 1.00 0.00 C ATOM 1433 C LEU A 85 96.894 0.553 6.498 1.00 0.00 C ATOM 1434 O LEU A 85 96.443 1.667 6.256 1.00 0.00 O ATOM 1435 CB LEU A 85 97.469 -0.618 8.623 1.00 0.00 C ATOM 1436 CG LEU A 85 98.057 0.677 9.183 1.00 0.00 C ATOM 1437 CD1 LEU A 85 97.000 1.421 10.008 1.00 0.00 C ATOM 1438 CD2 LEU A 85 99.253 0.346 10.075 1.00 0.00 C ATOM 0 H LEU A 85 96.241 -2.358 7.424 1.00 0.00 H new ATOM 0 HA LEU A 85 95.571 0.302 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.090 -1.239 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.244 -1.193 8.116 1.00 0.00 H new ATOM 0 HG LEU A 85 98.376 1.311 8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.429 2.342 10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.146 1.660 9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.673 0.790 10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.674 1.268 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.928 -0.292 10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 85 100.011 -0.175 9.489 1.00 0.00 H new ATOM 1450 N ILE A 86 97.870 -0.005 5.793 1.00 0.00 N ATOM 1451 CA ILE A 86 98.474 0.698 4.675 1.00 0.00 C ATOM 1452 C ILE A 86 97.403 1.141 3.689 1.00 0.00 C ATOM 1453 O ILE A 86 97.505 2.210 3.082 1.00 0.00 O ATOM 1454 CB ILE A 86 99.511 -0.188 3.977 1.00 0.00 C ATOM 1455 CG1 ILE A 86 100.901 0.114 4.549 1.00 0.00 C ATOM 1456 CG2 ILE A 86 99.514 0.078 2.471 1.00 0.00 C ATOM 1457 CD1 ILE A 86 101.855 -1.011 4.169 1.00 0.00 C ATOM 0 H ILE A 86 98.255 -0.932 5.975 1.00 0.00 H new ATOM 0 HA ILE A 86 98.982 1.583 5.058 1.00 0.00 H new ATOM 0 HB ILE A 86 99.256 -1.234 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.268 1.064 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 86 100.848 0.211 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.256 -0.559 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 86 98.528 -0.140 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 86 99.760 1.124 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 86 102.845 -0.801 4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.488 -1.953 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 86 101.915 -1.086 3.083 1.00 0.00 H new ATOM 1469 N LYS A 87 96.393 0.309 3.514 1.00 0.00 N ATOM 1470 CA LYS A 87 95.328 0.617 2.573 1.00 0.00 C ATOM 1471 C LYS A 87 94.753 1.988 2.840 1.00 0.00 C ATOM 1472 O LYS A 87 94.543 2.771 1.911 1.00 0.00 O ATOM 1473 CB LYS A 87 94.210 -0.423 2.693 1.00 0.00 C ATOM 1474 CG LYS A 87 92.875 0.179 2.233 1.00 0.00 C ATOM 1475 CD LYS A 87 91.839 -0.932 2.081 1.00 0.00 C ATOM 1476 CE LYS A 87 90.506 -0.320 1.652 1.00 0.00 C ATOM 1477 NZ LYS A 87 89.511 -1.404 1.422 1.00 0.00 N ATOM 0 H LYS A 87 96.286 -0.578 4.006 1.00 0.00 H new ATOM 0 HA LYS A 87 95.749 0.598 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 87 94.450 -1.298 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.128 -0.762 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 87 92.529 0.917 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 87 93.007 0.700 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 87 92.174 -1.659 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 87 91.721 -1.467 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 87 90.144 0.363 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 87 90.639 0.265 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 88.604 -0.987 1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 89.856 -2.039 0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 89.377 -1.944 2.301 1.00 0.00 H new ATOM 1491 N GLU A 88 94.477 2.286 4.102 1.00 0.00 N ATOM 1492 CA GLU A 88 93.911 3.574 4.449 1.00 0.00 C ATOM 1493 C GLU A 88 94.981 4.654 4.522 1.00 0.00 C ATOM 1494 O GLU A 88 94.675 5.843 4.479 1.00 0.00 O ATOM 1495 CB GLU A 88 93.200 3.454 5.802 1.00 0.00 C ATOM 1496 CG GLU A 88 94.130 3.858 6.960 1.00 0.00 C ATOM 1497 CD GLU A 88 94.124 5.374 7.135 1.00 0.00 C ATOM 1498 OE1 GLU A 88 95.195 5.944 7.270 1.00 0.00 O ATOM 1499 OE2 GLU A 88 93.045 5.944 7.129 1.00 0.00 O ATOM 0 H GLU A 88 94.635 1.659 4.891 1.00 0.00 H new ATOM 0 HA GLU A 88 93.203 3.863 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.313 4.088 5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 88 92.860 2.429 5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 88 93.805 3.377 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.144 3.512 6.760 1.00 0.00 H new ATOM 1506 N LEU A 89 96.229 4.239 4.673 1.00 0.00 N ATOM 1507 CA LEU A 89 97.306 5.197 4.789 1.00 0.00 C ATOM 1508 C LEU A 89 97.424 6.025 3.517 1.00 0.00 C ATOM 1509 O LEU A 89 97.530 7.247 3.564 1.00 0.00 O ATOM 1510 CB LEU A 89 98.615 4.454 5.045 1.00 0.00 C ATOM 1511 CG LEU A 89 99.589 5.332 5.841 1.00 0.00 C ATOM 1512 CD1 LEU A 89 99.781 6.671 5.135 1.00 0.00 C ATOM 1513 CD2 LEU A 89 99.031 5.571 7.251 1.00 0.00 C ATOM 0 H LEU A 89 96.514 3.261 4.717 1.00 0.00 H new ATOM 0 HA LEU A 89 97.095 5.870 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.415 3.534 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.068 4.167 4.096 1.00 0.00 H new ATOM 0 HG LEU A 89 100.551 4.824 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 89 100.474 7.288 5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 89 100.185 6.501 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 89 98.821 7.182 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 89 99.724 6.195 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 89 98.066 6.073 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 89 98.906 4.615 7.760 1.00 0.00 H new ATOM 1525 N ILE A 90 97.412 5.350 2.383 1.00 0.00 N ATOM 1526 CA ILE A 90 97.533 6.039 1.111 1.00 0.00 C ATOM 1527 C ILE A 90 96.340 6.964 0.895 1.00 0.00 C ATOM 1528 O ILE A 90 96.494 8.085 0.406 1.00 0.00 O ATOM 1529 CB ILE A 90 97.616 5.027 -0.041 1.00 0.00 C ATOM 1530 CG1 ILE A 90 98.947 4.264 0.062 1.00 0.00 C ATOM 1531 CG2 ILE A 90 97.539 5.759 -1.402 1.00 0.00 C ATOM 1532 CD1 ILE A 90 99.332 3.699 -1.311 1.00 0.00 C ATOM 0 H ILE A 90 97.321 4.336 2.315 1.00 0.00 H new ATOM 0 HA ILE A 90 98.447 6.633 1.129 1.00 0.00 H new ATOM 0 HB ILE A 90 96.781 4.330 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 90 99.731 4.930 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 90 98.857 3.454 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 90 97.599 5.031 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 90 96.596 6.301 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 90 98.368 6.462 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.276 3.160 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 90 98.553 3.019 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 90 99.441 4.517 -2.023 1.00 0.00 H new ATOM 1544 N ASP A 91 95.150 6.477 1.229 1.00 0.00 N ATOM 1545 CA ASP A 91 93.934 7.256 1.029 1.00 0.00 C ATOM 1546 C ASP A 91 94.153 8.708 1.440 1.00 0.00 C ATOM 1547 O ASP A 91 93.407 9.598 1.027 1.00 0.00 O ATOM 1548 CB ASP A 91 92.794 6.661 1.857 1.00 0.00 C ATOM 1549 CG ASP A 91 92.353 5.327 1.265 1.00 0.00 C ATOM 1550 OD1 ASP A 91 91.631 4.612 1.940 1.00 0.00 O ATOM 1551 OD2 ASP A 91 92.743 5.040 0.144 1.00 0.00 O ATOM 0 H ASP A 91 95.002 5.554 1.636 1.00 0.00 H new ATOM 0 HA ASP A 91 93.675 7.224 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.119 6.520 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 91 91.952 7.353 1.880 1.00 0.00 H new ATOM 1556 N LYS A 92 95.187 8.943 2.237 1.00 0.00 N ATOM 1557 CA LYS A 92 95.507 10.295 2.676 1.00 0.00 C ATOM 1558 C LYS A 92 96.105 11.107 1.532 1.00 0.00 C ATOM 1559 O LYS A 92 96.849 10.581 0.704 1.00 0.00 O ATOM 1560 CB LYS A 92 96.495 10.252 3.842 1.00 0.00 C ATOM 1561 CG LYS A 92 95.776 9.775 5.106 1.00 0.00 C ATOM 1562 CD LYS A 92 96.755 9.774 6.281 1.00 0.00 C ATOM 1563 CE LYS A 92 96.031 9.319 7.549 1.00 0.00 C ATOM 1564 NZ LYS A 92 96.983 9.326 8.695 1.00 0.00 N ATOM 0 H LYS A 92 95.815 8.221 2.591 1.00 0.00 H new ATOM 0 HA LYS A 92 94.583 10.773 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 92 97.322 9.582 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 92 96.923 11.241 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 92 94.930 10.427 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 92 95.375 8.773 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 92 97.593 9.109 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 92 97.169 10.772 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 92 95.190 9.980 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 92 95.623 8.318 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 96.491 9.017 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 97.772 8.678 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 97.352 10.288 8.834 1.00 0.00 H new