USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 754 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 25 THR OG1 : rot -61:sc= 1.79 USER MOD Set 1.2: A 37 THR OG1 : rot 24:sc= 1.27 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -4.94! C(o=-8.3!,f=-14!) USER MOD Set 2.2: A 24 SER OG : rot -175:sc= -3.31! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0491 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -148:sc= -1.11 USER MOD Single : A 17 GLN : amide:sc= -0.0937 K(o=-0.094,f=-1.7) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -9.52! C(o=-9.5!,f=-5.8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -18:sc= 0.304 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot -140:sc= 0.562 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 20:sc= -0.266 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 53 GLN : amide:sc= -3.67! C(o=-3.7!,f=-6.3!) USER MOD Single : A 59 THR OG1 : rot -18:sc= 1.38 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-6.8!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0219 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0033 USER MOD Single : A 75 SER OG : rot -54:sc= -0.15 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -55:sc= 0.983 USER MOD Single : A 84 HIS : no HD1:sc= -15.9! C(o=-16!,f=-14!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.116 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.766 -2.274 -23.035 1.00 0.00 N ATOM 96 CA VAL A 8 12.517 -3.037 -21.825 1.00 0.00 C ATOM 97 C VAL A 8 12.074 -4.452 -22.202 1.00 0.00 C ATOM 98 O VAL A 8 12.832 -5.407 -22.041 1.00 0.00 O ATOM 99 CB VAL A 8 11.497 -2.307 -20.946 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.554 -1.453 -21.795 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.713 -3.294 -20.078 1.00 0.00 C ATOM 0 HA VAL A 8 13.430 -3.127 -21.236 1.00 0.00 H new ATOM 0 HB VAL A 8 12.045 -1.640 -20.281 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.840 -0.945 -21.147 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.132 -0.713 -22.348 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.017 -2.092 -22.496 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.996 -2.749 -19.464 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.181 -3.998 -20.718 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.403 -3.839 -19.433 1.00 0.00 H new ATOM 111 N LYS A 9 10.848 -4.543 -22.699 1.00 0.00 N ATOM 112 CA LYS A 9 10.297 -5.825 -23.100 1.00 0.00 C ATOM 113 C LYS A 9 9.812 -6.578 -21.860 1.00 0.00 C ATOM 114 O LYS A 9 8.667 -7.025 -21.809 1.00 0.00 O ATOM 115 CB LYS A 9 11.311 -6.607 -23.937 1.00 0.00 C ATOM 116 CG LYS A 9 10.690 -7.078 -25.254 1.00 0.00 C ATOM 117 CD LYS A 9 11.695 -7.885 -26.077 1.00 0.00 C ATOM 118 CE LYS A 9 12.492 -6.975 -27.014 1.00 0.00 C ATOM 119 NZ LYS A 9 12.992 -7.740 -28.179 1.00 0.00 N ATOM 0 H LYS A 9 10.222 -3.749 -22.833 1.00 0.00 H new ATOM 0 HA LYS A 9 9.430 -5.681 -23.745 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.178 -5.979 -24.144 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.668 -7.467 -23.371 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.811 -7.688 -25.048 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.352 -6.216 -25.829 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.377 -8.413 -25.410 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.169 -8.642 -26.659 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.862 -6.153 -27.354 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.330 -6.533 -26.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.531 -7.107 -28.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.609 -8.509 -27.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.188 -8.141 -28.702 1.00 0.00 H new ATOM 133 N TYR A 10 10.709 -6.697 -20.892 1.00 0.00 N ATOM 134 CA TYR A 10 10.386 -7.389 -19.655 1.00 0.00 C ATOM 135 C TYR A 10 10.912 -6.617 -18.443 1.00 0.00 C ATOM 136 O TYR A 10 12.121 -6.521 -18.239 1.00 0.00 O ATOM 137 CB TYR A 10 11.099 -8.741 -19.731 1.00 0.00 C ATOM 138 CG TYR A 10 11.989 -8.907 -20.963 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.226 -8.295 -21.008 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.557 -9.668 -22.029 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.065 -8.451 -22.167 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.396 -9.824 -23.190 1.00 0.00 C ATOM 143 CZ TYR A 10 13.609 -9.209 -23.202 1.00 0.00 C ATOM 144 OH TYR A 10 14.400 -9.355 -24.297 1.00 0.00 O ATOM 0 H TYR A 10 11.658 -6.327 -20.939 1.00 0.00 H new ATOM 0 HA TYR A 10 9.307 -7.491 -19.541 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.708 -8.870 -18.836 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.352 -9.535 -19.726 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.564 -7.699 -20.173 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.590 -10.147 -21.994 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.034 -7.977 -22.215 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.069 -10.416 -24.032 1.00 0.00 H new ATOM 0 HH TYR A 10 13.946 -9.922 -24.955 1.00 0.00 H new ATOM 154 N TYR A 11 9.975 -6.086 -17.669 1.00 0.00 N ATOM 155 CA TYR A 11 10.328 -5.324 -16.482 1.00 0.00 C ATOM 156 C TYR A 11 9.721 -5.953 -15.227 1.00 0.00 C ATOM 157 O TYR A 11 8.783 -6.745 -15.317 1.00 0.00 O ATOM 158 CB TYR A 11 9.729 -3.931 -16.681 1.00 0.00 C ATOM 159 CG TYR A 11 10.766 -2.841 -16.956 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.977 -3.170 -17.533 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.492 -1.529 -16.628 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.953 -2.144 -17.791 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.469 -0.502 -16.887 1.00 0.00 C ATOM 164 CZ TYR A 11 12.650 -0.860 -17.456 1.00 0.00 C ATOM 165 OH TYR A 11 13.573 0.108 -17.700 1.00 0.00 O ATOM 0 H TYR A 11 8.973 -6.168 -17.841 1.00 0.00 H new ATOM 0 HA TYR A 11 11.410 -5.298 -16.350 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.024 -3.965 -17.512 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.160 -3.661 -15.791 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.192 -4.197 -17.790 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.545 -1.272 -16.177 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.904 -2.388 -18.240 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.267 0.529 -16.635 1.00 0.00 H new ATOM 0 HH TYR A 11 13.221 0.976 -17.411 1.00 0.00 H new ATOM 175 N THR A 12 10.280 -5.580 -14.086 1.00 0.00 N ATOM 176 CA THR A 12 9.804 -6.097 -12.814 1.00 0.00 C ATOM 177 C THR A 12 8.976 -5.039 -12.084 1.00 0.00 C ATOM 178 O THR A 12 9.139 -3.843 -12.323 1.00 0.00 O ATOM 179 CB THR A 12 11.019 -6.576 -12.015 1.00 0.00 C ATOM 180 OG1 THR A 12 11.694 -5.373 -11.655 1.00 0.00 O ATOM 181 CG2 THR A 12 12.032 -7.326 -12.884 1.00 0.00 C ATOM 0 H THR A 12 11.059 -4.925 -14.015 1.00 0.00 H new ATOM 0 HA THR A 12 9.135 -6.945 -12.957 1.00 0.00 H new ATOM 0 HB THR A 12 10.688 -7.223 -11.203 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.659 -5.540 -11.612 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.874 -7.644 -12.269 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.555 -8.201 -13.326 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.389 -6.668 -13.676 1.00 0.00 H new ATOM 189 N LEU A 13 8.105 -5.518 -11.207 1.00 0.00 N ATOM 190 CA LEU A 13 7.249 -4.628 -10.442 1.00 0.00 C ATOM 191 C LEU A 13 8.081 -3.455 -9.915 1.00 0.00 C ATOM 192 O LEU A 13 7.590 -2.331 -9.827 1.00 0.00 O ATOM 193 CB LEU A 13 6.517 -5.403 -9.343 1.00 0.00 C ATOM 194 CG LEU A 13 5.056 -5.752 -9.631 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.466 -6.610 -8.509 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.228 -4.489 -9.883 1.00 0.00 C ATOM 0 H LEU A 13 7.974 -6.510 -11.010 1.00 0.00 H new ATOM 0 HA LEU A 13 6.470 -4.208 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.061 -6.329 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.556 -4.817 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 13 5.021 -6.346 -10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.426 -6.844 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.035 -7.535 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.515 -6.062 -7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.193 -4.766 -10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.266 -3.847 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.634 -3.953 -10.741 1.00 0.00 H new ATOM 208 N GLU A 14 9.327 -3.758 -9.580 1.00 0.00 N ATOM 209 CA GLU A 14 10.231 -2.745 -9.066 1.00 0.00 C ATOM 210 C GLU A 14 10.612 -1.760 -10.175 1.00 0.00 C ATOM 211 O GLU A 14 10.563 -0.547 -9.976 1.00 0.00 O ATOM 212 CB GLU A 14 11.478 -3.383 -8.449 1.00 0.00 C ATOM 213 CG GLU A 14 11.600 -3.023 -6.967 1.00 0.00 C ATOM 214 CD GLU A 14 11.241 -4.218 -6.081 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.110 -4.726 -6.245 1.00 0.00 O ATOM 216 OE2 GLU A 14 12.104 -4.597 -5.261 1.00 0.00 O ATOM 0 H GLU A 14 9.731 -4.692 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 14 9.717 -2.195 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.430 -4.466 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.366 -3.046 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.618 -2.698 -6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.942 -2.185 -6.737 1.00 0.00 H new ATOM 223 N GLU A 15 10.980 -2.320 -11.317 1.00 0.00 N ATOM 224 CA GLU A 15 11.368 -1.507 -12.458 1.00 0.00 C ATOM 225 C GLU A 15 10.270 -0.494 -12.785 1.00 0.00 C ATOM 226 O GLU A 15 10.557 0.613 -13.239 1.00 0.00 O ATOM 227 CB GLU A 15 11.686 -2.383 -13.673 1.00 0.00 C ATOM 228 CG GLU A 15 12.986 -3.159 -13.462 1.00 0.00 C ATOM 229 CD GLU A 15 13.812 -3.206 -14.750 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.024 -2.118 -15.327 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.211 -4.328 -15.128 1.00 0.00 O ATOM 0 H GLU A 15 11.018 -3.327 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 15 12.274 -0.960 -12.199 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.866 -3.080 -13.848 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.770 -1.760 -14.563 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.569 -2.690 -12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.759 -4.173 -13.134 1.00 0.00 H new ATOM 238 N ILE A 16 9.035 -0.908 -12.542 1.00 0.00 N ATOM 239 CA ILE A 16 7.893 -0.049 -12.805 1.00 0.00 C ATOM 240 C ILE A 16 7.674 0.880 -11.610 1.00 0.00 C ATOM 241 O ILE A 16 7.468 2.082 -11.782 1.00 0.00 O ATOM 242 CB ILE A 16 6.665 -0.887 -13.166 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.024 -1.983 -14.171 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.525 0.000 -13.669 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.537 -3.350 -13.690 1.00 0.00 C ATOM 0 H ILE A 16 8.800 -1.827 -12.166 1.00 0.00 H new ATOM 0 HA ILE A 16 8.084 0.585 -13.671 1.00 0.00 H new ATOM 0 HB ILE A 16 6.313 -1.383 -12.262 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.578 -1.754 -15.139 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.104 -2.008 -14.316 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.664 -0.620 -13.919 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.247 0.711 -12.891 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.851 0.543 -14.556 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.805 -4.111 -14.423 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.004 -3.587 -12.734 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.454 -3.329 -13.569 1.00 0.00 H new ATOM 257 N GLN A 17 7.724 0.290 -10.425 1.00 0.00 N ATOM 258 CA GLN A 17 7.532 1.051 -9.202 1.00 0.00 C ATOM 259 C GLN A 17 8.520 2.218 -9.143 1.00 0.00 C ATOM 260 O GLN A 17 8.282 3.203 -8.445 1.00 0.00 O ATOM 261 CB GLN A 17 7.670 0.154 -7.970 1.00 0.00 C ATOM 262 CG GLN A 17 6.710 0.589 -6.863 1.00 0.00 C ATOM 263 CD GLN A 17 7.463 1.276 -5.723 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.521 1.856 -5.903 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.861 1.179 -4.541 1.00 0.00 N ATOM 0 H GLN A 17 7.895 -0.706 -10.286 1.00 0.00 H new ATOM 0 HA GLN A 17 6.520 1.456 -9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.468 -0.881 -8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.695 0.191 -7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.962 1.269 -7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.175 -0.279 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.976 0.679 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.285 1.605 -3.717 1.00 0.00 H new ATOM 274 N LYS A 18 9.608 2.069 -9.883 1.00 0.00 N ATOM 275 CA LYS A 18 10.634 3.097 -9.923 1.00 0.00 C ATOM 276 C LYS A 18 10.170 4.238 -10.831 1.00 0.00 C ATOM 277 O LYS A 18 10.323 5.410 -10.489 1.00 0.00 O ATOM 278 CB LYS A 18 11.981 2.497 -10.331 1.00 0.00 C ATOM 279 CG LYS A 18 12.229 2.674 -11.830 1.00 0.00 C ATOM 280 CD LYS A 18 13.419 1.831 -12.292 1.00 0.00 C ATOM 281 CE LYS A 18 14.475 2.702 -12.977 1.00 0.00 C ATOM 282 NZ LYS A 18 15.833 2.314 -12.536 1.00 0.00 N ATOM 0 H LYS A 18 9.802 1.251 -10.460 1.00 0.00 H new ATOM 0 HA LYS A 18 10.788 3.519 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.782 2.976 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.002 1.437 -10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.337 2.386 -12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.416 3.725 -12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.862 1.321 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.077 1.059 -12.981 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.394 2.598 -14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.296 3.752 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.537 2.915 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.912 2.436 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.006 1.318 -12.781 1.00 0.00 H new ATOM 296 N HIS A 19 9.611 3.856 -11.970 1.00 0.00 N ATOM 297 CA HIS A 19 9.124 4.833 -12.929 1.00 0.00 C ATOM 298 C HIS A 19 7.684 5.218 -12.583 1.00 0.00 C ATOM 299 O HIS A 19 6.742 4.533 -12.978 1.00 0.00 O ATOM 300 CB HIS A 19 9.269 4.308 -14.360 1.00 0.00 C ATOM 301 CG HIS A 19 10.577 4.675 -15.019 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.734 4.736 -16.393 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.787 5.002 -14.478 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.985 5.084 -16.656 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.636 5.247 -15.468 1.00 0.00 N ATOM 0 H HIS A 19 9.485 2.883 -12.250 1.00 0.00 H new ATOM 0 HA HIS A 19 9.729 5.738 -12.872 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.171 3.222 -14.349 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.448 4.696 -14.963 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.010 4.545 -17.085 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.015 5.053 -13.423 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.414 5.216 -17.638 1.00 0.00 H new ATOM 314 N ASN A 20 7.560 6.312 -11.847 1.00 0.00 N ATOM 315 CA ASN A 20 6.251 6.797 -11.442 1.00 0.00 C ATOM 316 C ASN A 20 6.259 8.328 -11.431 1.00 0.00 C ATOM 317 O ASN A 20 5.489 8.952 -10.703 1.00 0.00 O ATOM 318 CB ASN A 20 5.897 6.317 -10.034 1.00 0.00 C ATOM 319 CG ASN A 20 4.616 6.987 -9.532 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.446 7.252 -8.353 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.730 7.243 -10.488 1.00 0.00 N ATOM 0 H ASN A 20 8.344 6.877 -11.520 1.00 0.00 H new ATOM 0 HA ASN A 20 5.516 6.413 -12.150 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.769 5.235 -10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.719 6.539 -9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.842 7.688 -10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.937 6.994 -11.455 1.00 0.00 H new ATOM 328 N ASN A 21 7.140 8.888 -12.249 1.00 0.00 N ATOM 329 CA ASN A 21 7.258 10.333 -12.343 1.00 0.00 C ATOM 330 C ASN A 21 6.663 10.804 -13.671 1.00 0.00 C ATOM 331 O ASN A 21 6.426 9.998 -14.570 1.00 0.00 O ATOM 332 CB ASN A 21 8.725 10.768 -12.301 1.00 0.00 C ATOM 333 CG ASN A 21 9.286 10.669 -10.883 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.316 11.630 -10.130 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.729 9.457 -10.559 1.00 0.00 N ATOM 0 H ASN A 21 7.777 8.367 -12.851 1.00 0.00 H new ATOM 0 HA ASN A 21 6.727 10.771 -11.498 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.313 10.142 -12.973 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.814 11.793 -12.660 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.123 9.289 -9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.675 8.696 -11.236 1.00 0.00 H new ATOM 342 N SER A 22 6.435 12.106 -13.753 1.00 0.00 N ATOM 343 CA SER A 22 5.872 12.694 -14.955 1.00 0.00 C ATOM 344 C SER A 22 6.836 12.512 -16.129 1.00 0.00 C ATOM 345 O SER A 22 6.457 12.699 -17.284 1.00 0.00 O ATOM 346 CB SER A 22 5.561 14.178 -14.750 1.00 0.00 C ATOM 347 OG SER A 22 5.102 14.798 -15.948 1.00 0.00 O ATOM 0 H SER A 22 6.631 12.771 -13.005 1.00 0.00 H new ATOM 0 HA SER A 22 4.936 12.182 -15.179 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.804 14.286 -13.973 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.456 14.690 -14.397 1.00 0.00 H new ATOM 0 HG SER A 22 5.349 14.244 -16.718 1.00 0.00 H new ATOM 353 N LYS A 23 8.064 12.147 -15.792 1.00 0.00 N ATOM 354 CA LYS A 23 9.086 11.937 -16.804 1.00 0.00 C ATOM 355 C LYS A 23 9.328 10.434 -16.974 1.00 0.00 C ATOM 356 O LYS A 23 9.960 10.009 -17.940 1.00 0.00 O ATOM 357 CB LYS A 23 10.350 12.728 -16.463 1.00 0.00 C ATOM 358 CG LYS A 23 11.227 12.923 -17.701 1.00 0.00 C ATOM 359 CD LYS A 23 12.533 13.634 -17.341 1.00 0.00 C ATOM 360 CE LYS A 23 13.724 12.679 -17.447 1.00 0.00 C ATOM 361 NZ LYS A 23 14.892 13.369 -18.038 1.00 0.00 N ATOM 0 H LYS A 23 8.375 11.991 -14.833 1.00 0.00 H new ATOM 0 HA LYS A 23 8.750 12.318 -17.768 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.075 13.699 -16.051 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.915 12.203 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.448 11.955 -18.151 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.685 13.505 -18.447 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.684 14.484 -18.006 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.469 14.030 -16.327 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.981 12.298 -16.459 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.454 11.819 -18.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.691 12.706 -18.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.648 13.711 -18.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.159 14.175 -17.438 1.00 0.00 H new ATOM 375 N SER A 24 8.813 9.674 -16.018 1.00 0.00 N ATOM 376 CA SER A 24 8.967 8.229 -16.049 1.00 0.00 C ATOM 377 C SER A 24 7.700 7.557 -15.518 1.00 0.00 C ATOM 378 O SER A 24 7.704 6.989 -14.428 1.00 0.00 O ATOM 379 CB SER A 24 10.184 7.786 -15.235 1.00 0.00 C ATOM 380 OG SER A 24 11.283 7.431 -16.069 1.00 0.00 O ATOM 0 H SER A 24 8.290 10.031 -15.219 1.00 0.00 H new ATOM 0 HA SER A 24 9.126 7.925 -17.083 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.484 8.591 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.912 6.935 -14.611 1.00 0.00 H new ATOM 0 HG SER A 24 12.015 7.085 -15.516 1.00 0.00 H new ATOM 386 N THR A 25 6.643 7.645 -16.313 1.00 0.00 N ATOM 387 CA THR A 25 5.371 7.053 -15.937 1.00 0.00 C ATOM 388 C THR A 25 5.228 5.658 -16.550 1.00 0.00 C ATOM 389 O THR A 25 4.828 5.523 -17.706 1.00 0.00 O ATOM 390 CB THR A 25 4.258 8.017 -16.355 1.00 0.00 C ATOM 391 OG1 THR A 25 4.858 9.306 -16.252 1.00 0.00 O ATOM 392 CG2 THR A 25 3.109 8.058 -15.344 1.00 0.00 C ATOM 0 H THR A 25 6.642 8.118 -17.217 1.00 0.00 H new ATOM 0 HA THR A 25 5.307 6.907 -14.859 1.00 0.00 H new ATOM 0 HB THR A 25 3.872 7.725 -17.332 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.134 9.465 -15.325 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.346 8.757 -15.688 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.673 7.064 -15.248 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.488 8.383 -14.375 1.00 0.00 H new ATOM 400 N TRP A 26 5.566 4.658 -15.750 1.00 0.00 N ATOM 401 CA TRP A 26 5.481 3.279 -16.201 1.00 0.00 C ATOM 402 C TRP A 26 4.437 2.563 -15.340 1.00 0.00 C ATOM 403 O TRP A 26 4.363 2.790 -14.133 1.00 0.00 O ATOM 404 CB TRP A 26 6.853 2.603 -16.161 1.00 0.00 C ATOM 405 CG TRP A 26 7.581 2.595 -17.506 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.914 1.537 -18.259 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.058 3.747 -18.234 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.566 1.921 -19.412 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.657 3.308 -19.397 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.984 5.116 -17.920 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.228 4.172 -20.339 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.560 5.966 -18.871 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.166 5.539 -20.046 1.00 0.00 C ATOM 0 H TRP A 26 5.899 4.775 -14.793 1.00 0.00 H new ATOM 0 HA TRP A 26 5.164 3.233 -17.243 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.476 3.111 -15.425 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.731 1.575 -15.819 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.699 0.512 -17.996 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.917 1.301 -20.142 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.519 5.482 -17.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.691 3.804 -21.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.531 7.028 -18.678 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.588 6.260 -20.731 1.00 0.00 H new ATOM 424 N LEU A 27 3.659 1.715 -15.994 1.00 0.00 N ATOM 425 CA LEU A 27 2.623 0.966 -15.303 1.00 0.00 C ATOM 426 C LEU A 27 2.434 -0.388 -15.990 1.00 0.00 C ATOM 427 O LEU A 27 3.008 -0.635 -17.049 1.00 0.00 O ATOM 428 CB LEU A 27 1.338 1.791 -15.205 1.00 0.00 C ATOM 429 CG LEU A 27 0.375 1.674 -16.389 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.136 1.661 -17.716 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.533 0.452 -16.238 1.00 0.00 C ATOM 0 H LEU A 27 3.725 1.529 -16.995 1.00 0.00 H new ATOM 0 HA LEU A 27 2.922 0.763 -14.275 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.808 1.495 -14.300 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.611 2.840 -15.086 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.267 2.555 -16.395 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.428 1.577 -18.541 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.705 2.585 -17.818 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.818 0.811 -17.736 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.207 0.392 -17.092 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.076 -0.451 -16.193 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.116 0.543 -15.321 1.00 0.00 H new ATOM 443 N ILE A 28 1.628 -1.229 -15.360 1.00 0.00 N ATOM 444 CA ILE A 28 1.356 -2.550 -15.898 1.00 0.00 C ATOM 445 C ILE A 28 -0.154 -2.725 -16.074 1.00 0.00 C ATOM 446 O ILE A 28 -0.918 -2.539 -15.129 1.00 0.00 O ATOM 447 CB ILE A 28 2.002 -3.628 -15.023 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.209 -3.069 -14.266 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.366 -4.861 -15.852 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.401 -3.793 -12.932 1.00 0.00 C ATOM 0 H ILE A 28 1.154 -1.021 -14.481 1.00 0.00 H new ATOM 0 HA ILE A 28 1.806 -2.659 -16.885 1.00 0.00 H new ATOM 0 HB ILE A 28 1.273 -3.945 -14.277 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.107 -3.176 -14.875 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.070 -2.003 -14.089 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.823 -5.611 -15.207 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.465 -5.273 -16.306 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.070 -4.578 -16.635 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.265 -3.377 -12.413 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.511 -3.663 -12.316 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.564 -4.855 -13.115 1.00 0.00 H new ATOM 462 N LEU A 29 -0.538 -3.080 -17.291 1.00 0.00 N ATOM 463 CA LEU A 29 -1.942 -3.281 -17.604 1.00 0.00 C ATOM 464 C LEU A 29 -2.149 -4.713 -18.102 1.00 0.00 C ATOM 465 O LEU A 29 -1.440 -5.172 -18.995 1.00 0.00 O ATOM 466 CB LEU A 29 -2.432 -2.212 -18.584 1.00 0.00 C ATOM 467 CG LEU A 29 -3.597 -1.346 -18.103 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.443 -0.862 -19.282 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.436 -2.083 -17.058 1.00 0.00 C ATOM 0 H LEU A 29 0.099 -3.234 -18.072 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.552 -3.163 -16.709 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.594 -1.558 -18.826 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.729 -2.705 -19.510 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.186 -0.461 -17.617 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.265 -0.248 -18.913 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.823 -0.271 -19.956 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.845 -1.721 -19.819 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.257 -1.444 -16.734 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.838 -2.998 -17.494 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.811 -2.334 -16.201 1.00 0.00 H new ATOM 481 N HIS A 30 -3.125 -5.378 -17.502 1.00 0.00 N ATOM 482 CA HIS A 30 -3.435 -6.749 -17.872 1.00 0.00 C ATOM 483 C HIS A 30 -2.303 -7.672 -17.418 1.00 0.00 C ATOM 484 O HIS A 30 -2.548 -8.691 -16.775 1.00 0.00 O ATOM 485 CB HIS A 30 -3.720 -6.855 -19.372 1.00 0.00 C ATOM 486 CG HIS A 30 -4.419 -8.131 -19.776 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.781 -9.150 -20.462 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.705 -8.543 -19.583 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.654 -10.126 -20.668 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.845 -9.747 -20.122 1.00 0.00 N ATOM 0 H HIS A 30 -3.712 -4.993 -16.762 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.344 -7.070 -17.364 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.332 -6.006 -19.676 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.779 -6.781 -19.916 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.478 -7.984 -19.077 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.457 -11.057 -21.178 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.703 -10.299 -20.127 1.00 0.00 H new ATOM 499 N TYR A 31 -1.087 -7.283 -17.771 1.00 0.00 N ATOM 500 CA TYR A 31 0.084 -8.062 -17.408 1.00 0.00 C ATOM 501 C TYR A 31 1.345 -7.500 -18.071 1.00 0.00 C ATOM 502 O TYR A 31 2.459 -7.863 -17.699 1.00 0.00 O ATOM 503 CB TYR A 31 -0.170 -9.475 -17.937 1.00 0.00 C ATOM 504 CG TYR A 31 0.845 -9.937 -18.987 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.127 -10.273 -18.605 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.475 -10.017 -20.314 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.081 -10.708 -19.594 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.427 -10.452 -21.302 1.00 0.00 C ATOM 509 CZ TYR A 31 2.684 -10.776 -20.893 1.00 0.00 C ATOM 510 OH TYR A 31 3.584 -11.187 -21.825 1.00 0.00 O ATOM 0 H TYR A 31 -0.887 -6.437 -18.305 1.00 0.00 H new ATOM 0 HA TYR A 31 0.240 -8.041 -16.329 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.156 -10.173 -17.100 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.170 -9.516 -18.370 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.416 -10.210 -17.566 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.529 -9.753 -20.611 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.088 -10.974 -19.310 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.150 -10.520 -22.344 1.00 0.00 H new ATOM 0 HH TYR A 31 3.483 -10.648 -22.637 1.00 0.00 H new ATOM 520 N LYS A 32 1.125 -6.624 -19.040 1.00 0.00 N ATOM 521 CA LYS A 32 2.228 -6.009 -19.756 1.00 0.00 C ATOM 522 C LYS A 32 2.540 -4.648 -19.133 1.00 0.00 C ATOM 523 O LYS A 32 1.802 -4.171 -18.271 1.00 0.00 O ATOM 524 CB LYS A 32 1.924 -5.944 -21.254 1.00 0.00 C ATOM 525 CG LYS A 32 1.731 -7.346 -21.836 1.00 0.00 C ATOM 526 CD LYS A 32 0.371 -7.471 -22.525 1.00 0.00 C ATOM 527 CE LYS A 32 0.537 -7.661 -24.035 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.784 -7.809 -24.686 1.00 0.00 N ATOM 0 H LYS A 32 0.199 -6.326 -19.346 1.00 0.00 H new ATOM 0 HA LYS A 32 3.128 -6.616 -19.662 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.025 -5.350 -21.421 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.740 -5.440 -21.773 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.526 -7.560 -22.551 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.810 -8.088 -21.041 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.177 -8.316 -22.107 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.223 -6.578 -22.330 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.065 -6.807 -24.459 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.147 -8.543 -24.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.654 -7.937 -25.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.274 -8.638 -24.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.354 -6.956 -24.513 1.00 0.00 H new ATOM 542 N VAL A 33 3.634 -4.058 -19.592 1.00 0.00 N ATOM 543 CA VAL A 33 4.053 -2.760 -19.090 1.00 0.00 C ATOM 544 C VAL A 33 3.902 -1.717 -20.199 1.00 0.00 C ATOM 545 O VAL A 33 4.388 -1.912 -21.312 1.00 0.00 O ATOM 546 CB VAL A 33 5.478 -2.846 -18.541 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.965 -1.478 -18.060 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.573 -3.886 -17.422 1.00 0.00 C ATOM 0 H VAL A 33 4.244 -4.455 -20.307 1.00 0.00 H new ATOM 0 HA VAL A 33 3.418 -2.448 -18.261 1.00 0.00 H new ATOM 0 HB VAL A 33 6.130 -3.167 -19.353 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.981 -1.568 -17.675 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.954 -0.774 -18.892 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.308 -1.115 -17.270 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.597 -3.927 -17.049 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.902 -3.608 -16.609 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.288 -4.864 -17.809 1.00 0.00 H new ATOM 558 N TYR A 34 3.225 -0.630 -19.857 1.00 0.00 N ATOM 559 CA TYR A 34 3.004 0.446 -20.809 1.00 0.00 C ATOM 560 C TYR A 34 3.647 1.747 -20.324 1.00 0.00 C ATOM 561 O TYR A 34 3.744 1.985 -19.123 1.00 0.00 O ATOM 562 CB TYR A 34 1.488 0.636 -20.885 1.00 0.00 C ATOM 563 CG TYR A 34 0.714 -0.648 -21.187 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.740 -1.697 -20.289 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.012 -0.759 -22.356 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.011 -2.906 -20.573 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.740 -1.967 -22.639 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.693 -2.982 -21.734 1.00 0.00 C ATOM 569 OH TYR A 34 -1.382 -4.124 -22.003 1.00 0.00 O ATOM 0 H TYR A 34 2.822 -0.471 -18.933 1.00 0.00 H new ATOM 0 HA TYR A 34 3.443 0.200 -21.776 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.136 1.046 -19.939 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.263 1.373 -21.655 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.307 -1.611 -19.374 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.033 0.061 -23.058 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.023 -3.734 -19.879 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.311 -2.066 -23.550 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.531 -4.620 -21.171 1.00 0.00 H new ATOM 579 N ASP A 35 4.068 2.554 -21.287 1.00 0.00 N ATOM 580 CA ASP A 35 4.698 3.826 -20.976 1.00 0.00 C ATOM 581 C ASP A 35 3.620 4.902 -20.826 1.00 0.00 C ATOM 582 O ASP A 35 3.205 5.509 -21.812 1.00 0.00 O ATOM 583 CB ASP A 35 5.648 4.260 -22.093 1.00 0.00 C ATOM 584 CG ASP A 35 6.807 5.153 -21.646 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.691 5.721 -20.538 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.780 5.249 -22.423 1.00 0.00 O ATOM 0 H ASP A 35 3.985 2.352 -22.283 1.00 0.00 H new ATOM 0 HA ASP A 35 5.262 3.704 -20.051 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.058 3.368 -22.567 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.073 4.790 -22.853 1.00 0.00 H new ATOM 591 N LEU A 36 3.197 5.105 -19.587 1.00 0.00 N ATOM 592 CA LEU A 36 2.175 6.096 -19.298 1.00 0.00 C ATOM 593 C LEU A 36 2.668 7.475 -19.743 1.00 0.00 C ATOM 594 O LEU A 36 1.878 8.309 -20.180 1.00 0.00 O ATOM 595 CB LEU A 36 1.772 6.034 -17.823 1.00 0.00 C ATOM 596 CG LEU A 36 0.833 4.891 -17.432 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.157 5.171 -16.090 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.185 4.614 -18.541 1.00 0.00 C ATOM 0 H LEU A 36 3.544 4.600 -18.772 1.00 0.00 H new ATOM 0 HA LEU A 36 1.267 5.884 -19.863 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.678 5.955 -17.222 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.295 6.977 -17.557 1.00 0.00 H new ATOM 0 HG LEU A 36 1.429 3.987 -17.309 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.505 4.343 -15.836 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.916 5.279 -15.316 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.423 6.091 -16.160 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.840 3.797 -18.238 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.780 5.509 -18.720 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.340 4.338 -19.456 1.00 0.00 H new ATOM 610 N THR A 37 3.973 7.670 -19.616 1.00 0.00 N ATOM 611 CA THR A 37 4.580 8.934 -20.000 1.00 0.00 C ATOM 612 C THR A 37 4.162 9.317 -21.422 1.00 0.00 C ATOM 613 O THR A 37 4.036 10.498 -21.739 1.00 0.00 O ATOM 614 CB THR A 37 6.095 8.802 -19.828 1.00 0.00 C ATOM 615 OG1 THR A 37 6.345 9.332 -18.529 1.00 0.00 O ATOM 616 CG2 THR A 37 6.874 9.727 -20.763 1.00 0.00 C ATOM 0 H THR A 37 4.626 6.975 -19.253 1.00 0.00 H new ATOM 0 HA THR A 37 4.235 9.748 -19.363 1.00 0.00 H new ATOM 0 HB THR A 37 6.391 7.769 -20.010 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.531 9.267 -17.987 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.943 9.593 -20.599 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.632 9.486 -21.798 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.603 10.763 -20.559 1.00 0.00 H new ATOM 624 N LYS A 38 3.958 8.294 -22.240 1.00 0.00 N ATOM 625 CA LYS A 38 3.557 8.510 -23.620 1.00 0.00 C ATOM 626 C LYS A 38 2.051 8.781 -23.671 1.00 0.00 C ATOM 627 O LYS A 38 1.580 9.525 -24.531 1.00 0.00 O ATOM 628 CB LYS A 38 4.000 7.336 -24.496 1.00 0.00 C ATOM 629 CG LYS A 38 5.377 7.600 -25.109 1.00 0.00 C ATOM 630 CD LYS A 38 5.670 6.612 -26.241 1.00 0.00 C ATOM 631 CE LYS A 38 7.174 6.516 -26.508 1.00 0.00 C ATOM 632 NZ LYS A 38 7.567 5.113 -26.760 1.00 0.00 N ATOM 0 H LYS A 38 4.063 7.315 -21.974 1.00 0.00 H new ATOM 0 HA LYS A 38 4.055 9.389 -24.029 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.032 6.424 -23.900 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.270 7.173 -25.289 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.420 8.620 -25.491 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.144 7.515 -24.339 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.280 5.628 -25.980 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.155 6.929 -27.148 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.437 7.133 -27.367 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.727 6.907 -25.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.590 5.066 -26.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.334 4.533 -25.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.053 4.752 -27.589 1.00 0.00 H new ATOM 646 N PHE A 39 1.339 8.163 -22.741 1.00 0.00 N ATOM 647 CA PHE A 39 -0.104 8.330 -22.670 1.00 0.00 C ATOM 648 C PHE A 39 -0.504 9.115 -21.419 1.00 0.00 C ATOM 649 O PHE A 39 -1.559 8.867 -20.838 1.00 0.00 O ATOM 650 CB PHE A 39 -0.712 6.928 -22.595 1.00 0.00 C ATOM 651 CG PHE A 39 -2.242 6.912 -22.635 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.902 7.491 -23.672 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.941 6.316 -21.631 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.321 7.476 -23.709 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.360 6.301 -21.668 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.020 6.881 -22.706 1.00 0.00 C ATOM 0 H PHE A 39 1.733 7.546 -22.031 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.459 8.882 -23.541 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.330 6.332 -23.424 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.377 6.446 -21.676 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.347 7.963 -24.469 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.417 5.855 -20.807 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.845 7.937 -24.533 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.916 5.829 -20.871 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.100 6.869 -22.734 1.00 0.00 H new ATOM 666 N LEU A 40 0.360 10.045 -21.040 1.00 0.00 N ATOM 667 CA LEU A 40 0.109 10.867 -19.869 1.00 0.00 C ATOM 668 C LEU A 40 -1.067 11.802 -20.149 1.00 0.00 C ATOM 669 O LEU A 40 -2.149 11.632 -19.589 1.00 0.00 O ATOM 670 CB LEU A 40 1.385 11.595 -19.442 1.00 0.00 C ATOM 671 CG LEU A 40 2.081 11.053 -18.191 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.249 11.952 -17.780 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.081 10.856 -17.050 1.00 0.00 C ATOM 0 H LEU A 40 1.235 10.247 -21.524 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.174 10.244 -19.021 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.093 11.562 -20.270 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.142 12.644 -19.272 1.00 0.00 H new ATOM 0 HG LEU A 40 2.497 10.074 -18.429 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.726 11.544 -16.889 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.975 11.998 -18.591 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.879 12.955 -17.567 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.601 10.470 -16.173 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.616 11.811 -16.805 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.313 10.146 -17.358 1.00 0.00 H new ATOM 685 N GLU A 41 -0.817 12.772 -21.017 1.00 0.00 N ATOM 686 CA GLU A 41 -1.843 13.735 -21.381 1.00 0.00 C ATOM 687 C GLU A 41 -3.148 13.015 -21.724 1.00 0.00 C ATOM 688 O GLU A 41 -4.059 12.947 -20.899 1.00 0.00 O ATOM 689 CB GLU A 41 -1.381 14.617 -22.542 1.00 0.00 C ATOM 690 CG GLU A 41 -0.276 15.577 -22.095 1.00 0.00 C ATOM 691 CD GLU A 41 -0.053 16.679 -23.133 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.130 16.316 -24.315 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.073 17.858 -22.722 1.00 0.00 O ATOM 0 H GLU A 41 0.082 12.912 -21.479 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.024 14.385 -20.525 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.016 13.991 -23.356 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.226 15.185 -22.931 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.543 16.024 -21.137 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.651 15.024 -21.942 1.00 0.00 H new ATOM 700 N GLU A 42 -3.199 12.499 -22.944 1.00 0.00 N ATOM 701 CA GLU A 42 -4.379 11.787 -23.405 1.00 0.00 C ATOM 702 C GLU A 42 -5.089 11.115 -22.229 1.00 0.00 C ATOM 703 O GLU A 42 -4.678 10.046 -21.780 1.00 0.00 O ATOM 704 CB GLU A 42 -4.013 10.763 -24.483 1.00 0.00 C ATOM 705 CG GLU A 42 -4.634 11.140 -25.831 1.00 0.00 C ATOM 706 CD GLU A 42 -3.740 10.694 -26.989 1.00 0.00 C ATOM 707 OE1 GLU A 42 -2.573 11.142 -27.011 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.244 9.914 -27.826 1.00 0.00 O ATOM 0 H GLU A 42 -2.443 12.560 -23.626 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.064 12.508 -23.851 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.929 10.705 -24.581 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.359 9.774 -24.183 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.616 10.677 -25.926 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.785 12.219 -25.877 1.00 0.00 H new ATOM 715 N HIS A 43 -6.143 11.770 -21.763 1.00 0.00 N ATOM 716 CA HIS A 43 -6.915 11.250 -20.648 1.00 0.00 C ATOM 717 C HIS A 43 -7.924 12.302 -20.186 1.00 0.00 C ATOM 718 O HIS A 43 -7.571 13.465 -19.997 1.00 0.00 O ATOM 719 CB HIS A 43 -5.991 10.778 -19.522 1.00 0.00 C ATOM 720 CG HIS A 43 -6.219 9.348 -19.098 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.334 8.327 -19.400 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.239 8.777 -18.394 1.00 0.00 C ATOM 723 CE1 HIS A 43 -5.810 7.197 -18.896 1.00 0.00 C ATOM 724 NE2 HIS A 43 -6.991 7.479 -18.273 1.00 0.00 N ATOM 0 H HIS A 43 -6.480 12.657 -22.138 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.479 10.374 -20.968 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.956 10.890 -19.845 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.127 11.428 -18.658 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.102 9.294 -18.002 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.345 6.225 -18.966 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.585 6.803 -17.793 1.00 0.00 H new ATOM 733 N PRO A 44 -9.193 11.844 -20.014 1.00 0.00 N ATOM 734 CA PRO A 44 -10.256 12.733 -19.579 1.00 0.00 C ATOM 735 C PRO A 44 -10.130 13.050 -18.086 1.00 0.00 C ATOM 736 O PRO A 44 -10.973 13.746 -17.522 1.00 0.00 O ATOM 737 CB PRO A 44 -11.545 12.006 -19.924 1.00 0.00 C ATOM 738 CG PRO A 44 -11.162 10.548 -20.114 1.00 0.00 C ATOM 739 CD PRO A 44 -9.648 10.473 -20.229 1.00 0.00 C ATOM 0 HA PRO A 44 -10.218 13.704 -20.072 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.281 12.116 -19.127 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.993 12.414 -20.830 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.511 9.949 -19.273 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.633 10.144 -21.010 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.227 9.795 -19.487 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.343 10.103 -21.208 1.00 0.00 H new ATOM 747 N GLY A 45 -9.072 12.521 -17.490 1.00 0.00 N ATOM 748 CA GLY A 45 -8.825 12.737 -16.075 1.00 0.00 C ATOM 749 C GLY A 45 -7.599 13.628 -15.861 1.00 0.00 C ATOM 750 O GLY A 45 -7.678 14.644 -15.172 1.00 0.00 O ATOM 0 H GLY A 45 -8.376 11.943 -17.961 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.699 13.199 -15.616 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.673 11.779 -15.578 1.00 0.00 H new ATOM 754 N GLY A 46 -6.495 13.215 -16.466 1.00 0.00 N ATOM 755 CA GLY A 46 -5.254 13.964 -16.351 1.00 0.00 C ATOM 756 C GLY A 46 -4.061 13.022 -16.185 1.00 0.00 C ATOM 757 O GLY A 46 -4.221 11.880 -15.753 1.00 0.00 O ATOM 0 H GLY A 46 -6.433 12.372 -17.037 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.114 14.582 -17.238 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.310 14.640 -15.498 1.00 0.00 H new ATOM 761 N GLU A 47 -2.890 13.534 -16.535 1.00 0.00 N ATOM 762 CA GLU A 47 -1.669 12.752 -16.429 1.00 0.00 C ATOM 763 C GLU A 47 -1.667 11.943 -15.132 1.00 0.00 C ATOM 764 O GLU A 47 -1.296 10.770 -15.128 1.00 0.00 O ATOM 765 CB GLU A 47 -0.434 13.652 -16.516 1.00 0.00 C ATOM 766 CG GLU A 47 -0.294 14.258 -17.914 1.00 0.00 C ATOM 767 CD GLU A 47 -0.834 15.689 -17.947 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.067 15.835 -17.801 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.001 16.607 -18.118 1.00 0.00 O ATOM 0 H GLU A 47 -2.761 14.481 -16.892 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.632 12.056 -17.267 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.508 14.449 -15.776 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.459 13.075 -16.275 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.754 14.254 -18.213 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.834 13.645 -18.636 1.00 0.00 H new ATOM 776 N GLU A 48 -2.089 12.600 -14.061 1.00 0.00 N ATOM 777 CA GLU A 48 -2.141 11.955 -12.759 1.00 0.00 C ATOM 778 C GLU A 48 -2.915 10.640 -12.850 1.00 0.00 C ATOM 779 O GLU A 48 -2.520 9.641 -12.251 1.00 0.00 O ATOM 780 CB GLU A 48 -2.758 12.885 -11.711 1.00 0.00 C ATOM 781 CG GLU A 48 -1.815 13.073 -10.523 1.00 0.00 C ATOM 782 CD GLU A 48 -2.220 14.290 -9.689 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.805 15.405 -10.071 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.937 14.079 -8.687 1.00 0.00 O ATOM 0 H GLU A 48 -2.398 13.572 -14.068 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.122 11.732 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.978 13.853 -12.162 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.706 12.472 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.828 12.179 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.793 13.197 -10.881 1.00 0.00 H new ATOM 791 N VAL A 49 -4.005 10.682 -13.603 1.00 0.00 N ATOM 792 CA VAL A 49 -4.838 9.504 -13.780 1.00 0.00 C ATOM 793 C VAL A 49 -3.954 8.308 -14.143 1.00 0.00 C ATOM 794 O VAL A 49 -4.316 7.163 -13.881 1.00 0.00 O ATOM 795 CB VAL A 49 -5.924 9.783 -14.820 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.351 9.729 -16.238 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.096 8.813 -14.663 1.00 0.00 C ATOM 0 H VAL A 49 -4.330 11.513 -14.097 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.352 9.257 -12.851 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.301 10.792 -14.650 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.144 9.931 -16.959 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.566 10.478 -16.342 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.934 8.739 -16.425 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.854 9.033 -15.415 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.742 7.790 -14.794 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.529 8.923 -13.669 1.00 0.00 H new ATOM 807 N LEU A 50 -2.815 8.617 -14.743 1.00 0.00 N ATOM 808 CA LEU A 50 -1.877 7.583 -15.145 1.00 0.00 C ATOM 809 C LEU A 50 -0.702 7.556 -14.166 1.00 0.00 C ATOM 810 O LEU A 50 -0.162 6.493 -13.868 1.00 0.00 O ATOM 811 CB LEU A 50 -1.458 7.777 -16.604 1.00 0.00 C ATOM 812 CG LEU A 50 -2.595 7.939 -17.614 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.714 9.393 -18.078 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.428 6.973 -18.789 1.00 0.00 C ATOM 0 H LEU A 50 -2.520 9.569 -14.961 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.351 6.602 -15.101 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.818 8.658 -16.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.852 6.922 -16.904 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.531 7.682 -17.118 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.530 9.480 -18.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.916 10.034 -17.219 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.781 9.702 -18.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.250 7.109 -19.492 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.482 7.173 -19.293 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.433 5.947 -18.420 1.00 0.00 H new ATOM 826 N ARG A 51 -0.340 8.739 -13.693 1.00 0.00 N ATOM 827 CA ARG A 51 0.761 8.866 -12.754 1.00 0.00 C ATOM 828 C ARG A 51 0.401 8.204 -11.422 1.00 0.00 C ATOM 829 O ARG A 51 1.234 7.535 -10.811 1.00 0.00 O ATOM 830 CB ARG A 51 1.110 10.335 -12.508 1.00 0.00 C ATOM 831 CG ARG A 51 2.592 10.496 -12.163 1.00 0.00 C ATOM 832 CD ARG A 51 2.775 10.832 -10.681 1.00 0.00 C ATOM 833 NE ARG A 51 2.664 12.293 -10.475 1.00 0.00 N ATOM 834 CZ ARG A 51 3.673 13.157 -10.654 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.874 12.711 -11.042 1.00 0.00 N ATOM 836 NH2 ARG A 51 3.479 14.466 -10.442 1.00 0.00 N ATOM 0 H ARG A 51 -0.790 9.619 -13.943 1.00 0.00 H new ATOM 0 HA ARG A 51 1.627 8.368 -13.190 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.874 10.922 -13.395 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.499 10.726 -11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.127 9.576 -12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.028 11.285 -12.775 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.022 10.315 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.748 10.481 -10.338 1.00 0.00 H new ATOM 0 HE ARG A 51 1.762 12.666 -10.178 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.021 11.714 -11.201 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.642 13.368 -11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.564 14.804 -10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.246 15.124 -10.578 1.00 0.00 H new ATOM 850 N GLU A 52 -0.841 8.415 -11.010 1.00 0.00 N ATOM 851 CA GLU A 52 -1.322 7.847 -9.762 1.00 0.00 C ATOM 852 C GLU A 52 -1.331 6.319 -9.843 1.00 0.00 C ATOM 853 O GLU A 52 -1.484 5.641 -8.827 1.00 0.00 O ATOM 854 CB GLU A 52 -2.710 8.386 -9.413 1.00 0.00 C ATOM 855 CG GLU A 52 -3.762 7.871 -10.400 1.00 0.00 C ATOM 856 CD GLU A 52 -4.970 8.809 -10.451 1.00 0.00 C ATOM 857 OE1 GLU A 52 -4.753 9.996 -10.777 1.00 0.00 O ATOM 858 OE2 GLU A 52 -6.083 8.317 -10.164 1.00 0.00 O ATOM 0 H GLU A 52 -1.528 8.971 -11.518 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.642 8.145 -8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.977 8.084 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.695 9.476 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.322 7.784 -11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.084 6.872 -10.105 1.00 0.00 H new ATOM 865 N GLN A 53 -1.165 5.822 -11.059 1.00 0.00 N ATOM 866 CA GLN A 53 -1.153 4.386 -11.285 1.00 0.00 C ATOM 867 C GLN A 53 0.253 3.923 -11.678 1.00 0.00 C ATOM 868 O GLN A 53 0.585 2.747 -11.536 1.00 0.00 O ATOM 869 CB GLN A 53 -2.177 3.989 -12.349 1.00 0.00 C ATOM 870 CG GLN A 53 -1.923 4.733 -13.662 1.00 0.00 C ATOM 871 CD GLN A 53 -2.958 4.350 -14.720 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.822 3.371 -15.434 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.000 5.175 -14.782 1.00 0.00 N ATOM 0 H GLN A 53 -1.038 6.387 -11.898 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.433 3.890 -10.356 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.129 2.914 -12.521 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.183 4.210 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.958 5.808 -13.487 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.922 4.502 -14.027 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.053 5.978 -14.155 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.746 5.005 -15.457 1.00 0.00 H new ATOM 882 N ALA A 54 1.040 4.872 -12.165 1.00 0.00 N ATOM 883 CA ALA A 54 2.400 4.575 -12.579 1.00 0.00 C ATOM 884 C ALA A 54 3.220 4.155 -11.357 1.00 0.00 C ATOM 885 O ALA A 54 3.230 4.852 -10.342 1.00 0.00 O ATOM 886 CB ALA A 54 2.994 5.793 -13.288 1.00 0.00 C ATOM 0 H ALA A 54 0.761 5.846 -12.282 1.00 0.00 H new ATOM 0 HA ALA A 54 2.414 3.746 -13.287 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.015 5.571 -13.599 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.392 6.034 -14.164 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.999 6.644 -12.607 1.00 0.00 H new ATOM 892 N GLY A 55 3.888 3.020 -11.495 1.00 0.00 N ATOM 893 CA GLY A 55 4.709 2.499 -10.415 1.00 0.00 C ATOM 894 C GLY A 55 4.256 1.096 -10.008 1.00 0.00 C ATOM 895 O GLY A 55 4.563 0.634 -8.910 1.00 0.00 O ATOM 0 H GLY A 55 3.878 2.446 -12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.753 2.471 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.652 3.167 -9.555 1.00 0.00 H new ATOM 899 N GLY A 56 3.532 0.457 -10.916 1.00 0.00 N ATOM 900 CA GLY A 56 3.032 -0.884 -10.666 1.00 0.00 C ATOM 901 C GLY A 56 1.856 -1.212 -11.587 1.00 0.00 C ATOM 902 O GLY A 56 1.520 -0.428 -12.472 1.00 0.00 O ATOM 0 H GLY A 56 3.280 0.843 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.832 -1.608 -10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.719 -0.971 -9.626 1.00 0.00 H new ATOM 906 N ASP A 57 1.263 -2.372 -11.346 1.00 0.00 N ATOM 907 CA ASP A 57 0.130 -2.814 -12.142 1.00 0.00 C ATOM 908 C ASP A 57 -1.046 -1.861 -11.922 1.00 0.00 C ATOM 909 O ASP A 57 -1.367 -1.520 -10.784 1.00 0.00 O ATOM 910 CB ASP A 57 -0.316 -4.219 -11.735 1.00 0.00 C ATOM 911 CG ASP A 57 -1.799 -4.519 -11.962 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.619 -3.901 -11.246 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.080 -5.355 -12.846 1.00 0.00 O ATOM 0 H ASP A 57 1.546 -3.020 -10.611 1.00 0.00 H new ATOM 0 HA ASP A 57 0.437 -2.823 -13.188 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.275 -4.947 -12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.089 -4.364 -10.679 1.00 0.00 H new ATOM 918 N ALA A 58 -1.656 -1.458 -13.026 1.00 0.00 N ATOM 919 CA ALA A 58 -2.790 -0.552 -12.967 1.00 0.00 C ATOM 920 C ALA A 58 -4.067 -1.315 -13.322 1.00 0.00 C ATOM 921 O ALA A 58 -5.172 -0.830 -13.080 1.00 0.00 O ATOM 922 CB ALA A 58 -2.543 0.637 -13.898 1.00 0.00 C ATOM 0 H ALA A 58 -1.386 -1.742 -13.968 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.913 -0.157 -11.959 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.394 1.317 -13.854 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.641 1.163 -13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.417 0.279 -14.920 1.00 0.00 H new ATOM 928 N THR A 59 -3.874 -2.496 -13.890 1.00 0.00 N ATOM 929 CA THR A 59 -4.997 -3.332 -14.280 1.00 0.00 C ATOM 930 C THR A 59 -6.014 -3.426 -13.141 1.00 0.00 C ATOM 931 O THR A 59 -7.190 -3.122 -13.327 1.00 0.00 O ATOM 932 CB THR A 59 -4.445 -4.690 -14.718 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.189 -5.005 -15.892 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.803 -5.810 -13.739 1.00 0.00 C ATOM 0 H THR A 59 -2.956 -2.894 -14.090 1.00 0.00 H new ATOM 0 HA THR A 59 -5.539 -2.899 -15.121 1.00 0.00 H new ATOM 0 HB THR A 59 -3.361 -4.627 -14.817 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.000 -4.456 -15.923 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.388 -6.752 -14.096 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.390 -5.581 -12.757 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.887 -5.896 -13.665 1.00 0.00 H new ATOM 942 N GLU A 60 -5.520 -3.850 -11.985 1.00 0.00 N ATOM 943 CA GLU A 60 -6.372 -3.989 -10.816 1.00 0.00 C ATOM 944 C GLU A 60 -7.326 -2.797 -10.709 1.00 0.00 C ATOM 945 O GLU A 60 -8.413 -2.917 -10.146 1.00 0.00 O ATOM 946 CB GLU A 60 -5.535 -4.135 -9.544 1.00 0.00 C ATOM 947 CG GLU A 60 -5.686 -5.536 -8.945 1.00 0.00 C ATOM 948 CD GLU A 60 -6.373 -5.478 -7.580 1.00 0.00 C ATOM 949 OE1 GLU A 60 -7.498 -4.935 -7.534 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.757 -5.978 -6.614 1.00 0.00 O ATOM 0 H GLU A 60 -4.543 -4.101 -11.834 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.966 -4.896 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.486 -3.944 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.844 -3.388 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.266 -6.164 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.705 -5.999 -8.843 1.00 0.00 H new ATOM 957 N ASN A 61 -6.885 -1.675 -11.259 1.00 0.00 N ATOM 958 CA ASN A 61 -7.687 -0.464 -11.233 1.00 0.00 C ATOM 959 C ASN A 61 -8.498 -0.366 -12.526 1.00 0.00 C ATOM 960 O ASN A 61 -9.725 -0.284 -12.489 1.00 0.00 O ATOM 961 CB ASN A 61 -6.801 0.780 -11.134 1.00 0.00 C ATOM 962 CG ASN A 61 -7.096 1.563 -9.853 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.143 2.168 -9.691 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.116 1.519 -8.954 1.00 0.00 N ATOM 0 H ASN A 61 -5.983 -1.579 -11.725 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.342 -0.511 -10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.752 0.486 -11.151 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.967 1.419 -12.001 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.216 2.011 -8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.265 0.994 -9.153 1.00 0.00 H new ATOM 971 N PHE A 62 -7.779 -0.376 -13.639 1.00 0.00 N ATOM 972 CA PHE A 62 -8.416 -0.289 -14.942 1.00 0.00 C ATOM 973 C PHE A 62 -9.599 -1.256 -15.039 1.00 0.00 C ATOM 974 O PHE A 62 -10.488 -1.073 -15.871 1.00 0.00 O ATOM 975 CB PHE A 62 -7.365 -0.682 -15.981 1.00 0.00 C ATOM 976 CG PHE A 62 -7.799 -1.821 -16.906 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.745 -3.108 -16.471 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.242 -1.546 -18.162 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.148 -4.165 -17.330 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.646 -2.603 -19.021 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.590 -3.890 -18.586 1.00 0.00 C ATOM 0 H PHE A 62 -6.762 -0.443 -13.665 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.792 0.721 -15.106 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.123 0.192 -16.586 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.451 -0.975 -15.465 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.396 -3.327 -15.473 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.287 -0.523 -18.507 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.103 -5.188 -16.985 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.997 -2.384 -20.019 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.897 -4.694 -19.238 1.00 0.00 H new ATOM 991 N GLU A 63 -9.573 -2.262 -14.177 1.00 0.00 N ATOM 992 CA GLU A 63 -10.630 -3.256 -14.156 1.00 0.00 C ATOM 993 C GLU A 63 -11.914 -2.654 -13.579 1.00 0.00 C ATOM 994 O GLU A 63 -12.990 -2.812 -14.153 1.00 0.00 O ATOM 995 CB GLU A 63 -10.203 -4.495 -13.366 1.00 0.00 C ATOM 996 CG GLU A 63 -9.749 -5.614 -14.305 1.00 0.00 C ATOM 997 CD GLU A 63 -10.950 -6.350 -14.902 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.783 -6.823 -14.100 1.00 0.00 O ATOM 999 OE2 GLU A 63 -11.007 -6.423 -16.149 1.00 0.00 O ATOM 0 H GLU A 63 -8.835 -2.409 -13.488 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.827 -3.569 -15.181 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.392 -4.235 -12.685 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.034 -4.844 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.139 -5.196 -15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.121 -6.318 -13.760 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.757 -1.978 -12.451 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.888 -1.351 -11.789 1.00 0.00 C ATOM 1008 C ASP A 64 -13.430 -0.224 -12.671 1.00 0.00 C ATOM 1009 O ASP A 64 -14.605 -0.221 -13.030 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.476 -0.745 -10.447 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.392 -1.093 -9.271 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.282 -2.240 -8.788 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.180 -0.204 -8.883 1.00 0.00 O ATOM 0 H ASP A 64 -10.862 -1.851 -11.978 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.645 -2.117 -11.620 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.465 -1.077 -10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.440 0.339 -10.551 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.544 0.706 -12.997 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.917 1.836 -13.830 1.00 0.00 C ATOM 1020 C VAL A 65 -13.531 1.321 -15.134 1.00 0.00 C ATOM 1021 O VAL A 65 -14.188 2.073 -15.853 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.704 2.741 -14.058 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.400 1.949 -13.947 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.799 3.457 -15.407 1.00 0.00 C ATOM 0 H VAL A 65 -11.569 0.700 -12.699 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.672 2.445 -13.332 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.701 3.500 -13.276 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.554 2.616 -14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.325 1.509 -12.953 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.390 1.157 -14.696 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.925 4.093 -15.544 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.840 2.719 -16.208 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.701 4.069 -15.431 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.295 0.045 -15.399 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.818 -0.578 -16.602 1.00 0.00 C ATOM 1036 C GLY A 66 -13.530 0.282 -17.835 1.00 0.00 C ATOM 1037 O GLY A 66 -14.406 1.005 -18.311 1.00 0.00 O ATOM 0 H GLY A 66 -12.748 -0.575 -14.801 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.371 -1.564 -16.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.893 -0.727 -16.501 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.301 0.178 -18.316 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.887 0.938 -19.483 1.00 0.00 C ATOM 1043 C HIS A 67 -12.592 0.394 -20.727 1.00 0.00 C ATOM 1044 O HIS A 67 -13.373 -0.553 -20.638 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.364 0.940 -19.618 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.661 1.858 -18.646 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.152 1.420 -17.436 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.389 3.193 -18.718 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.600 2.453 -16.816 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.749 3.551 -17.612 1.00 0.00 N ATOM 0 H HIS A 67 -11.578 -0.421 -17.919 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.184 1.980 -19.366 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.996 -0.076 -19.474 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.100 1.233 -20.634 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.650 3.847 -19.536 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.117 2.430 -15.850 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.422 4.492 -17.393 1.00 0.00 H new ATOM 1059 N SER A 68 -12.291 1.014 -21.859 1.00 0.00 N ATOM 1060 CA SER A 68 -12.887 0.603 -23.118 1.00 0.00 C ATOM 1061 C SER A 68 -11.862 -0.166 -23.955 1.00 0.00 C ATOM 1062 O SER A 68 -10.669 0.133 -23.909 1.00 0.00 O ATOM 1063 CB SER A 68 -13.412 1.810 -23.899 1.00 0.00 C ATOM 1064 OG SER A 68 -12.423 2.355 -24.767 1.00 0.00 O ATOM 0 H SER A 68 -11.642 1.798 -21.930 1.00 0.00 H new ATOM 0 HA SER A 68 -13.732 -0.050 -22.900 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.283 1.513 -24.483 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.744 2.578 -23.200 1.00 0.00 H new ATOM 0 HG SER A 68 -12.797 3.122 -25.249 1.00 0.00 H new ATOM 1070 N THR A 69 -12.364 -1.139 -24.699 1.00 0.00 N ATOM 1071 CA THR A 69 -11.508 -1.953 -25.545 1.00 0.00 C ATOM 1072 C THR A 69 -10.521 -1.069 -26.311 1.00 0.00 C ATOM 1073 O THR A 69 -9.393 -1.482 -26.582 1.00 0.00 O ATOM 1074 CB THR A 69 -12.402 -2.795 -26.456 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.328 -1.857 -26.997 1.00 0.00 O ATOM 1076 CG2 THR A 69 -13.281 -3.773 -25.671 1.00 0.00 C ATOM 0 H THR A 69 -13.354 -1.383 -24.734 1.00 0.00 H new ATOM 0 HA THR A 69 -10.896 -2.632 -24.951 1.00 0.00 H new ATOM 0 HB THR A 69 -11.782 -3.348 -27.162 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.946 -2.319 -27.602 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.896 -4.346 -26.364 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.649 -4.453 -25.100 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.925 -3.217 -24.989 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.981 0.129 -26.639 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.154 1.074 -27.370 1.00 0.00 C ATOM 1086 C ASP A 70 -9.002 1.533 -26.475 1.00 0.00 C ATOM 1087 O ASP A 70 -7.846 1.537 -26.898 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.958 2.309 -27.778 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.189 3.336 -28.613 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.076 3.703 -28.176 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.731 3.730 -29.668 1.00 0.00 O ATOM 0 H ASP A 70 -11.916 0.467 -26.412 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.782 0.576 -28.265 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.832 1.985 -28.343 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.326 2.799 -26.876 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.355 1.910 -25.255 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.365 2.372 -24.297 1.00 0.00 C ATOM 1098 C ALA A 71 -7.254 1.326 -24.176 1.00 0.00 C ATOM 1099 O ALA A 71 -6.073 1.666 -24.198 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.045 2.657 -22.958 1.00 0.00 C ATOM 0 H ALA A 71 -10.314 1.905 -24.908 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.908 3.302 -24.635 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.302 3.004 -22.239 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.806 3.426 -23.093 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.512 1.745 -22.586 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.674 0.075 -24.051 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.729 -1.022 -23.925 1.00 0.00 C ATOM 1108 C ARG A 72 -5.873 -1.131 -25.189 1.00 0.00 C ATOM 1109 O ARG A 72 -4.646 -1.132 -25.113 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.455 -2.349 -23.692 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.512 -2.210 -22.595 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.234 -3.537 -22.357 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.440 -3.317 -21.531 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.099 -4.290 -20.888 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.674 -5.558 -20.975 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.185 -3.998 -20.160 1.00 0.00 N ATOM 0 H ARG A 72 -8.655 -0.203 -24.034 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.091 -0.815 -23.066 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.928 -2.677 -24.618 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.735 -3.118 -23.413 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.040 -1.878 -21.670 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.235 -1.444 -22.877 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.513 -3.984 -23.311 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.566 -4.240 -21.859 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.793 -2.364 -21.445 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.849 -5.782 -21.531 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.176 -6.299 -20.485 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.511 -3.034 -20.095 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.686 -4.740 -19.671 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.556 -1.222 -26.321 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.872 -1.333 -27.600 1.00 0.00 C ATOM 1132 C GLU A 73 -4.882 -0.179 -27.773 1.00 0.00 C ATOM 1133 O GLU A 73 -3.747 -0.391 -28.198 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.876 -1.373 -28.754 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.975 -2.782 -29.345 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.199 -2.909 -30.255 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.285 -3.197 -29.708 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.020 -2.716 -31.476 1.00 0.00 O ATOM 0 H GLU A 73 -7.574 -1.221 -26.380 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.314 -2.269 -27.614 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.856 -1.054 -28.400 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.573 -0.670 -29.530 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.071 -3.007 -29.911 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.038 -3.514 -28.540 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.347 1.014 -27.436 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.517 2.201 -27.549 1.00 0.00 C ATOM 1147 C LEU A 74 -3.237 2.003 -26.732 1.00 0.00 C ATOM 1148 O LEU A 74 -2.156 2.401 -27.160 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.309 3.449 -27.159 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.838 4.175 -25.898 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.846 5.288 -26.242 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.028 4.698 -25.089 1.00 0.00 C ATOM 0 H LEU A 74 -6.289 1.185 -27.084 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.214 2.356 -28.584 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.276 4.151 -27.992 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.352 3.165 -27.022 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.311 3.458 -25.269 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.528 5.787 -25.327 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.978 4.860 -26.742 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.325 6.011 -26.902 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.665 5.210 -24.198 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.604 5.394 -25.698 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.663 3.862 -24.794 1.00 0.00 H new ATOM 1164 N SER A 75 -3.407 1.388 -25.571 1.00 0.00 N ATOM 1165 CA SER A 75 -2.279 1.133 -24.690 1.00 0.00 C ATOM 1166 C SER A 75 -1.305 0.158 -25.355 1.00 0.00 C ATOM 1167 O SER A 75 -0.097 0.236 -25.137 1.00 0.00 O ATOM 1168 CB SER A 75 -2.747 0.578 -23.342 1.00 0.00 C ATOM 1169 OG SER A 75 -4.166 0.616 -23.214 1.00 0.00 O ATOM 0 H SER A 75 -4.307 1.059 -25.220 1.00 0.00 H new ATOM 0 HA SER A 75 -1.769 2.078 -24.506 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.400 -0.450 -23.233 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.294 1.155 -22.535 1.00 0.00 H new ATOM 0 HG SER A 75 -4.485 1.528 -23.377 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.866 -0.736 -26.155 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.063 -1.726 -26.854 1.00 0.00 C ATOM 1177 C LYS A 76 -0.051 -1.010 -27.752 1.00 0.00 C ATOM 1178 O LYS A 76 0.927 -1.612 -28.192 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.960 -2.712 -27.603 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.787 -2.571 -29.117 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.861 -3.362 -29.867 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.355 -3.801 -31.242 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.447 -3.740 -32.240 1.00 0.00 N ATOM 0 H LYS A 76 -2.868 -0.796 -26.335 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.494 -2.326 -26.144 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.719 -3.731 -27.299 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.002 -2.537 -27.335 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.843 -1.519 -29.397 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.799 -2.926 -29.408 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.147 -4.237 -29.284 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.755 -2.750 -29.983 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.532 -3.159 -31.555 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.963 -4.816 -31.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.087 -4.041 -33.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.220 -4.371 -31.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.802 -2.765 -32.307 1.00 0.00 H new ATOM 1197 N THR A 77 -0.321 0.263 -27.997 1.00 0.00 N ATOM 1198 CA THR A 77 0.554 1.066 -28.835 1.00 0.00 C ATOM 1199 C THR A 77 1.614 1.767 -27.982 1.00 0.00 C ATOM 1200 O THR A 77 2.609 2.264 -28.506 1.00 0.00 O ATOM 1201 CB THR A 77 -0.318 2.034 -29.637 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.526 3.130 -28.749 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.723 1.486 -29.888 1.00 0.00 C ATOM 0 H THR A 77 -1.133 0.759 -27.630 1.00 0.00 H new ATOM 0 HA THR A 77 1.108 0.445 -29.539 1.00 0.00 H new ATOM 0 HB THR A 77 0.163 2.250 -30.591 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.909 2.802 -27.909 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.300 2.212 -30.461 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.655 0.553 -30.448 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.217 1.301 -28.934 1.00 0.00 H new ATOM 1211 N PHE A 78 1.365 1.782 -26.680 1.00 0.00 N ATOM 1212 CA PHE A 78 2.285 2.413 -25.749 1.00 0.00 C ATOM 1213 C PHE A 78 3.092 1.365 -24.979 1.00 0.00 C ATOM 1214 O PHE A 78 4.012 1.705 -24.238 1.00 0.00 O ATOM 1215 CB PHE A 78 1.438 3.215 -24.759 1.00 0.00 C ATOM 1216 CG PHE A 78 0.944 4.555 -25.307 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.815 5.408 -25.908 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.369 4.894 -25.193 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.356 6.652 -26.418 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.828 6.137 -25.700 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.044 6.989 -26.303 1.00 0.00 C ATOM 0 H PHE A 78 0.539 1.367 -26.248 1.00 0.00 H new ATOM 0 HA PHE A 78 2.987 3.046 -26.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.577 2.615 -24.464 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.024 3.396 -23.858 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.857 5.140 -25.998 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.062 4.216 -24.716 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.048 7.329 -26.896 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.870 6.407 -25.607 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.306 7.934 -26.691 1.00 0.00 H new ATOM 1231 N ILE A 79 2.717 0.109 -25.184 1.00 0.00 N ATOM 1232 CA ILE A 79 3.393 -0.991 -24.519 1.00 0.00 C ATOM 1233 C ILE A 79 4.895 -0.907 -24.803 1.00 0.00 C ATOM 1234 O ILE A 79 5.310 -0.867 -25.960 1.00 0.00 O ATOM 1235 CB ILE A 79 2.766 -2.327 -24.919 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.548 -2.644 -24.048 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.803 -3.451 -24.887 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.316 -4.154 -23.959 1.00 0.00 C ATOM 0 H ILE A 79 1.954 -0.170 -25.801 1.00 0.00 H new ATOM 0 HA ILE A 79 3.267 -0.918 -23.439 1.00 0.00 H new ATOM 0 HB ILE A 79 2.413 -2.245 -25.947 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.695 -2.235 -23.048 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.664 -2.160 -24.463 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.331 -4.390 -25.176 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.610 -3.222 -25.583 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.208 -3.543 -23.879 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.445 -4.352 -23.334 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.145 -4.555 -24.958 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.192 -4.632 -23.521 1.00 0.00 H new ATOM 1250 N ILE A 80 5.669 -0.883 -23.727 1.00 0.00 N ATOM 1251 CA ILE A 80 7.115 -0.805 -23.847 1.00 0.00 C ATOM 1252 C ILE A 80 7.728 -2.147 -23.443 1.00 0.00 C ATOM 1253 O ILE A 80 8.855 -2.458 -23.825 1.00 0.00 O ATOM 1254 CB ILE A 80 7.654 0.384 -23.048 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.814 0.628 -21.793 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.753 1.633 -23.924 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.027 -0.484 -20.765 1.00 0.00 C ATOM 0 H ILE A 80 5.322 -0.916 -22.769 1.00 0.00 H new ATOM 0 HA ILE A 80 7.404 -0.621 -24.882 1.00 0.00 H new ATOM 0 HB ILE A 80 8.664 0.143 -22.716 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.081 1.589 -21.354 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.759 0.682 -22.062 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.139 2.463 -23.332 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.426 1.439 -24.759 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.765 1.888 -24.306 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.418 -0.286 -19.883 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.737 -1.441 -21.199 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.078 -0.519 -20.480 1.00 0.00 H new ATOM 1269 N GLY A 81 6.959 -2.906 -22.675 1.00 0.00 N ATOM 1270 CA GLY A 81 7.413 -4.208 -22.216 1.00 0.00 C ATOM 1271 C GLY A 81 6.292 -4.955 -21.493 1.00 0.00 C ATOM 1272 O GLY A 81 5.114 -4.702 -21.738 1.00 0.00 O ATOM 0 H GLY A 81 6.025 -2.644 -22.359 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.758 -4.797 -23.066 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.264 -4.085 -21.546 1.00 0.00 H new ATOM 1276 N GLU A 82 6.699 -5.864 -20.618 1.00 0.00 N ATOM 1277 CA GLU A 82 5.743 -6.651 -19.857 1.00 0.00 C ATOM 1278 C GLU A 82 6.345 -7.064 -18.513 1.00 0.00 C ATOM 1279 O GLU A 82 7.562 -7.040 -18.341 1.00 0.00 O ATOM 1280 CB GLU A 82 5.286 -7.875 -20.652 1.00 0.00 C ATOM 1281 CG GLU A 82 5.500 -7.666 -22.153 1.00 0.00 C ATOM 1282 CD GLU A 82 5.130 -8.924 -22.941 1.00 0.00 C ATOM 1283 OE1 GLU A 82 6.037 -9.765 -23.126 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.949 -9.017 -23.339 1.00 0.00 O ATOM 0 H GLU A 82 7.677 -6.073 -20.419 1.00 0.00 H new ATOM 0 HA GLU A 82 4.865 -6.034 -19.665 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.838 -8.755 -20.321 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.231 -8.068 -20.455 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.895 -6.827 -22.497 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.542 -7.407 -22.343 1.00 0.00 H new ATOM 1291 N LEU A 83 5.465 -7.431 -17.594 1.00 0.00 N ATOM 1292 CA LEU A 83 5.894 -7.849 -16.270 1.00 0.00 C ATOM 1293 C LEU A 83 6.650 -9.174 -16.379 1.00 0.00 C ATOM 1294 O LEU A 83 6.096 -10.174 -16.830 1.00 0.00 O ATOM 1295 CB LEU A 83 4.702 -7.898 -15.311 1.00 0.00 C ATOM 1296 CG LEU A 83 5.043 -8.001 -13.824 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.546 -8.204 -13.617 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.518 -6.786 -13.054 1.00 0.00 C ATOM 0 H LEU A 83 4.456 -7.448 -17.740 1.00 0.00 H new ATOM 0 HA LEU A 83 6.585 -7.121 -15.846 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.100 -7.002 -15.464 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.079 -8.751 -15.581 1.00 0.00 H new ATOM 0 HG LEU A 83 4.541 -8.880 -13.420 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.760 -8.274 -12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.860 -9.123 -14.111 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.089 -7.360 -14.042 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.774 -6.885 -11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.971 -5.879 -13.454 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.435 -6.728 -13.160 1.00 0.00 H new ATOM 1310 N HIS A 84 7.906 -9.137 -15.956 1.00 0.00 N ATOM 1311 CA HIS A 84 8.745 -10.323 -16.000 1.00 0.00 C ATOM 1312 C HIS A 84 8.184 -11.385 -15.052 1.00 0.00 C ATOM 1313 O HIS A 84 7.136 -11.183 -14.439 1.00 0.00 O ATOM 1314 CB HIS A 84 10.202 -9.969 -15.699 1.00 0.00 C ATOM 1315 CG HIS A 84 11.172 -10.384 -16.779 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.543 -10.256 -16.646 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.954 -10.930 -18.010 1.00 0.00 C ATOM 1318 CE1 HIS A 84 13.116 -10.704 -17.754 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.129 -11.120 -18.598 1.00 0.00 N ATOM 0 H HIS A 84 8.362 -8.305 -15.582 1.00 0.00 H new ATOM 0 HA HIS A 84 8.735 -10.743 -17.006 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.280 -8.892 -15.550 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.494 -10.443 -14.762 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.990 -11.167 -18.434 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.177 -10.734 -17.953 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.270 -11.513 -19.529 1.00 0.00 H new ATOM 1328 N PRO A 85 8.926 -12.520 -14.958 1.00 0.00 N ATOM 1329 CA PRO A 85 8.512 -13.614 -14.094 1.00 0.00 C ATOM 1330 C PRO A 85 8.775 -13.280 -12.625 1.00 0.00 C ATOM 1331 O PRO A 85 8.732 -14.161 -11.767 1.00 0.00 O ATOM 1332 CB PRO A 85 9.302 -14.818 -14.580 1.00 0.00 C ATOM 1333 CG PRO A 85 10.463 -14.258 -15.386 1.00 0.00 C ATOM 1334 CD PRO A 85 10.171 -12.793 -15.669 1.00 0.00 C ATOM 0 HA PRO A 85 7.441 -13.810 -14.145 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.661 -15.414 -13.741 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.681 -15.471 -15.193 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.397 -14.361 -14.833 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.582 -14.810 -16.318 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.978 -12.152 -15.314 1.00 0.00 H new ATOM 0 HD3 PRO A 85 10.065 -12.610 -16.738 1.00 0.00 H new ATOM 1342 N ASP A 86 9.039 -12.006 -12.378 1.00 0.00 N ATOM 1343 CA ASP A 86 9.308 -11.545 -11.027 1.00 0.00 C ATOM 1344 C ASP A 86 7.984 -11.345 -10.287 1.00 0.00 C ATOM 1345 O ASP A 86 7.934 -11.435 -9.061 1.00 0.00 O ATOM 1346 CB ASP A 86 10.051 -10.207 -11.039 1.00 0.00 C ATOM 1347 CG ASP A 86 9.623 -9.221 -9.950 1.00 0.00 C ATOM 1348 OD1 ASP A 86 9.948 -9.498 -8.773 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.981 -8.212 -10.315 1.00 0.00 O ATOM 0 H ASP A 86 9.072 -11.278 -13.091 1.00 0.00 H new ATOM 0 HA ASP A 86 9.924 -12.295 -10.532 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.119 -10.400 -10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.906 -9.737 -12.012 1.00 0.00 H new ATOM 1354 N ASP A 87 6.944 -11.078 -11.063 1.00 0.00 N ATOM 1355 CA ASP A 87 5.622 -10.865 -10.498 1.00 0.00 C ATOM 1356 C ASP A 87 4.575 -10.973 -11.607 1.00 0.00 C ATOM 1357 O ASP A 87 3.858 -10.011 -11.884 1.00 0.00 O ATOM 1358 CB ASP A 87 5.509 -9.473 -9.874 1.00 0.00 C ATOM 1359 CG ASP A 87 6.229 -9.304 -8.535 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.659 -9.761 -7.520 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.335 -8.720 -8.554 1.00 0.00 O ATOM 0 H ASP A 87 6.990 -11.004 -12.079 1.00 0.00 H new ATOM 0 HA ASP A 87 5.458 -11.620 -9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.907 -8.742 -10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.454 -9.239 -9.734 1.00 0.00 H new ATOM 1366 N ARG A 88 4.517 -12.150 -12.210 1.00 0.00 N ATOM 1367 CA ARG A 88 3.569 -12.397 -13.283 1.00 0.00 C ATOM 1368 C ARG A 88 2.167 -12.617 -12.710 1.00 0.00 C ATOM 1369 O ARG A 88 1.380 -11.678 -12.607 1.00 0.00 O ATOM 1370 CB ARG A 88 3.973 -13.620 -14.106 1.00 0.00 C ATOM 1371 CG ARG A 88 5.271 -13.359 -14.873 1.00 0.00 C ATOM 1372 CD ARG A 88 5.004 -12.549 -16.144 1.00 0.00 C ATOM 1373 NE ARG A 88 3.970 -13.219 -16.963 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.213 -14.248 -17.787 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.456 -14.730 -17.906 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.213 -14.793 -18.491 1.00 0.00 N ATOM 0 H ARG A 88 5.112 -12.945 -11.976 1.00 0.00 H new ATOM 0 HA ARG A 88 3.568 -11.522 -13.933 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.101 -14.479 -13.448 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.176 -13.871 -14.806 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.972 -12.821 -14.235 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.740 -14.308 -15.134 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.677 -11.543 -15.882 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.924 -12.445 -16.719 1.00 0.00 H new ATOM 0 HE ARG A 88 3.012 -12.876 -16.896 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.218 -14.314 -17.370 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.642 -15.513 -18.533 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.266 -14.425 -18.400 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.398 -15.576 -19.118 1.00 0.00 H new ATOM 1390 N SER A 89 1.898 -13.865 -12.353 1.00 0.00 N ATOM 1391 CA SER A 89 0.605 -14.220 -11.794 1.00 0.00 C ATOM 1392 C SER A 89 0.322 -13.377 -10.549 1.00 0.00 C ATOM 1393 O SER A 89 -0.807 -13.340 -10.062 1.00 0.00 O ATOM 1394 CB SER A 89 0.544 -15.710 -11.451 1.00 0.00 C ATOM 1395 OG SER A 89 1.680 -16.131 -10.701 1.00 0.00 O ATOM 0 H SER A 89 2.553 -14.642 -12.440 1.00 0.00 H new ATOM 0 HA SER A 89 -0.159 -14.015 -12.544 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.363 -15.914 -10.882 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.481 -16.292 -12.371 1.00 0.00 H new ATOM 0 HG SER A 89 1.603 -17.087 -10.500 1.00 0.00 H new ATOM 1401 N LYS A 90 1.367 -12.720 -10.069 1.00 0.00 N ATOM 1402 CA LYS A 90 1.247 -11.879 -8.891 1.00 0.00 C ATOM 1403 C LYS A 90 0.372 -10.667 -9.222 1.00 0.00 C ATOM 1404 O LYS A 90 -0.221 -10.063 -8.329 1.00 0.00 O ATOM 1405 CB LYS A 90 2.630 -11.508 -8.352 1.00 0.00 C ATOM 1406 CG LYS A 90 3.069 -12.480 -7.254 1.00 0.00 C ATOM 1407 CD LYS A 90 3.297 -11.746 -5.931 1.00 0.00 C ATOM 1408 CE LYS A 90 4.150 -12.585 -4.979 1.00 0.00 C ATOM 1409 NZ LYS A 90 3.889 -12.200 -3.573 1.00 0.00 N ATOM 0 H LYS A 90 2.302 -12.753 -10.475 1.00 0.00 H new ATOM 0 HA LYS A 90 0.752 -12.422 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.356 -11.520 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.610 -10.492 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.310 -13.250 -7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.986 -12.986 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.789 -10.792 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.337 -11.523 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.929 -13.643 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.206 -12.447 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.476 -12.779 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.122 -11.195 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.885 -12.355 -3.351 1.00 0.00 H new ATOM 1423 N ILE A 91 0.318 -10.349 -10.507 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.475 -9.222 -10.965 1.00 0.00 C ATOM 1425 C ILE A 91 -1.382 -9.674 -12.112 1.00 0.00 C ATOM 1426 O ILE A 91 -2.554 -9.306 -12.163 1.00 0.00 O ATOM 1427 CB ILE A 91 0.431 -8.041 -11.326 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.718 -8.009 -12.829 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.715 -8.063 -10.497 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.466 -6.732 -13.217 1.00 0.00 C ATOM 0 H ILE A 91 0.811 -10.852 -11.245 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.125 -8.864 -10.167 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.095 -7.119 -11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.310 -8.881 -13.109 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.219 -8.069 -13.383 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.341 -7.214 -10.773 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.465 -8.001 -9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.256 -8.990 -10.689 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.658 -6.734 -14.290 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.861 -5.863 -12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.413 -6.688 -12.679 1.00 0.00 H new ATOM 1442 N THR A 92 -0.803 -10.466 -13.003 1.00 0.00 N ATOM 1443 CA THR A 92 -1.544 -10.971 -14.147 1.00 0.00 C ATOM 1444 C THR A 92 -2.978 -11.320 -13.741 1.00 0.00 C ATOM 1445 O THR A 92 -3.255 -11.553 -12.565 1.00 0.00 O ATOM 1446 CB THR A 92 -0.770 -12.159 -14.723 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.906 -12.009 -16.135 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.446 -13.498 -14.424 1.00 0.00 C ATOM 0 H THR A 92 0.169 -10.770 -12.956 1.00 0.00 H new ATOM 0 HA THR A 92 -1.635 -10.214 -14.926 1.00 0.00 H new ATOM 0 HB THR A 92 0.242 -12.165 -14.318 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.432 -12.737 -16.588 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.856 -14.307 -14.855 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.519 -13.636 -13.345 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.445 -13.506 -14.859 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.851 -11.344 -14.737 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.249 -11.660 -14.499 1.00 0.00 C ATOM 1458 C LYS A 93 -5.902 -10.512 -13.727 1.00 0.00 C ATOM 1459 O LYS A 93 -5.342 -10.018 -12.748 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.382 -13.019 -13.808 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.838 -13.488 -13.793 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.011 -14.713 -12.894 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.342 -14.298 -11.460 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.767 -15.261 -10.495 1.00 0.00 N ATOM 0 H LYS A 93 -3.617 -11.150 -15.711 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.784 -11.755 -15.444 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.765 -13.755 -14.324 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.008 -12.949 -12.786 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.480 -12.681 -13.441 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.156 -13.729 -14.807 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.807 -15.347 -13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.097 -15.307 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.949 -13.300 -11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.423 -14.246 -11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.001 -14.964 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.161 -16.207 -10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.734 -15.290 -10.608 1.00 0.00 H new ATOM 1478 N PRO A 94 -7.109 -10.110 -14.206 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.846 -9.029 -13.572 1.00 0.00 C ATOM 1480 C PRO A 94 -8.483 -9.495 -12.261 1.00 0.00 C ATOM 1481 O PRO A 94 -8.372 -10.664 -11.894 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.869 -8.589 -14.607 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.979 -9.736 -15.597 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.804 -10.671 -15.361 1.00 0.00 C ATOM 0 HA PRO A 94 -7.206 -8.195 -13.286 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.832 -8.382 -14.141 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.552 -7.673 -15.105 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.922 -10.267 -15.463 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.968 -9.360 -16.620 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.141 -11.689 -15.164 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.151 -10.715 -16.233 1.00 0.00 H new ATOM 1492 N SER A 95 -9.137 -8.557 -11.592 1.00 0.00 N ATOM 1493 CA SER A 95 -9.792 -8.857 -10.331 1.00 0.00 C ATOM 1494 C SER A 95 -11.294 -9.038 -10.552 1.00 0.00 C ATOM 1495 O SER A 95 -11.829 -8.624 -11.580 1.00 0.00 O ATOM 1496 CB SER A 95 -9.536 -7.754 -9.301 1.00 0.00 C ATOM 1497 OG SER A 95 -9.551 -8.254 -7.967 1.00 0.00 O ATOM 0 H SER A 95 -9.227 -7.589 -11.900 1.00 0.00 H new ATOM 0 HA SER A 95 -9.374 -9.785 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.572 -7.287 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.294 -6.978 -9.406 1.00 0.00 H new ATOM 0 HG SER A 95 -9.382 -7.520 -7.340 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.935 -9.657 -9.571 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.365 -9.898 -9.645 1.00 0.00 C ATOM 1505 C GLU A 96 -14.132 -8.766 -8.956 1.00 0.00 C ATOM 1506 O GLU A 96 -13.657 -8.202 -7.971 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.725 -11.254 -9.036 1.00 0.00 C ATOM 1508 CG GLU A 96 -14.772 -11.977 -9.886 1.00 0.00 C ATOM 1509 CD GLU A 96 -15.859 -12.599 -9.007 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -15.512 -13.529 -8.247 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -17.013 -12.131 -9.115 1.00 0.00 O ATOM 0 H GLU A 96 -11.489 -9.999 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.655 -9.920 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.829 -11.870 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.107 -11.113 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.224 -11.275 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.290 -12.754 -10.479 1.00 0.00 H new ATOM 1518 N SER A 97 -15.301 -8.468 -9.501 1.00 0.00 N ATOM 1519 CA SER A 97 -16.136 -7.415 -8.951 1.00 0.00 C ATOM 1520 C SER A 97 -17.608 -7.825 -9.018 1.00 0.00 C ATOM 1521 O SER A 97 -17.957 -8.791 -9.693 1.00 0.00 O ATOM 1522 CB SER A 97 -15.919 -6.096 -9.693 1.00 0.00 C ATOM 1523 OG SER A 97 -16.412 -6.146 -11.028 1.00 0.00 O ATOM 0 H SER A 97 -15.690 -8.938 -10.319 1.00 0.00 H new ATOM 0 HA SER A 97 -15.854 -7.265 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.417 -5.290 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.855 -5.860 -9.708 1.00 0.00 H new ATOM 0 HG SER A 97 -16.256 -5.284 -11.467 1.00 0.00 H new ATOM 1529 N ILE A 98 -18.434 -7.070 -8.308 1.00 0.00 N ATOM 1530 CA ILE A 98 -19.861 -7.343 -8.280 1.00 0.00 C ATOM 1531 C ILE A 98 -20.629 -6.019 -8.270 1.00 0.00 C ATOM 1532 O ILE A 98 -20.045 -4.959 -8.048 1.00 0.00 O ATOM 1533 CB ILE A 98 -20.207 -8.263 -7.109 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -21.613 -8.846 -7.265 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -20.033 -7.538 -5.772 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -21.695 -10.249 -6.659 1.00 0.00 C ATOM 0 H ILE A 98 -18.142 -6.269 -7.748 1.00 0.00 H new ATOM 0 HA ILE A 98 -20.164 -7.881 -9.178 1.00 0.00 H new ATOM 0 HB ILE A 98 -19.509 -9.100 -7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -22.337 -8.193 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -21.879 -8.886 -8.321 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -20.286 -8.215 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -18.998 -7.213 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -20.691 -6.670 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -22.705 -10.641 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -20.987 -10.905 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -21.452 -10.202 -5.597 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.928 -6.123 -8.511 1.00 0.00 N ATOM 1549 CA ILE A 99 -22.781 -4.947 -8.534 1.00 0.00 C ATOM 1550 C ILE A 99 -24.245 -5.387 -8.606 1.00 0.00 C ATOM 1551 O ILE A 99 -24.581 -6.320 -9.334 1.00 0.00 O ATOM 1552 CB ILE A 99 -22.366 -4.005 -9.665 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -22.782 -2.564 -9.359 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -22.914 -4.486 -11.010 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -24.258 -2.337 -9.695 1.00 0.00 C ATOM 0 H ILE A 99 -22.410 -7.003 -8.692 1.00 0.00 H new ATOM 0 HA ILE A 99 -22.664 -4.373 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 99 -21.279 -4.018 -9.738 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -22.608 -2.347 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.164 -1.873 -9.933 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -22.604 -3.798 -11.796 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -22.527 -5.482 -11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -24.003 -4.522 -10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -24.528 -1.306 -9.468 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -24.424 -2.531 -10.755 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -24.874 -3.012 -9.101 1.00 0.00 H new ATOM 1567 N THR A 100 -25.075 -4.695 -7.840 1.00 0.00 N ATOM 1568 CA THR A 100 -26.496 -5.003 -7.808 1.00 0.00 C ATOM 1569 C THR A 100 -27.322 -3.726 -7.984 1.00 0.00 C ATOM 1570 O THR A 100 -26.918 -2.655 -7.536 1.00 0.00 O ATOM 1571 CB THR A 100 -26.790 -5.741 -6.501 1.00 0.00 C ATOM 1572 OG1 THR A 100 -28.181 -6.044 -6.579 1.00 0.00 O ATOM 1573 CG2 THR A 100 -26.674 -4.833 -5.276 1.00 0.00 C ATOM 0 H THR A 100 -24.792 -3.923 -7.237 1.00 0.00 H new ATOM 0 HA THR A 100 -26.779 -5.653 -8.636 1.00 0.00 H new ATOM 0 HB THR A 100 -26.103 -6.580 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 100 -28.457 -6.525 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 100 -26.893 -5.407 -4.376 1.00 0.00 H new ATOM 0 HG22 THR A 100 -25.662 -4.433 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 100 -27.385 -4.011 -5.364 1.00 0.00 H new ATOM 1581 N THR A 101 -28.463 -3.884 -8.638 1.00 0.00 N ATOM 1582 CA THR A 101 -29.349 -2.758 -8.878 1.00 0.00 C ATOM 1583 C THR A 101 -30.809 -3.182 -8.706 1.00 0.00 C ATOM 1584 O THR A 101 -31.157 -4.338 -8.945 1.00 0.00 O ATOM 1585 CB THR A 101 -29.039 -2.201 -10.269 1.00 0.00 C ATOM 1586 OG1 THR A 101 -27.704 -1.713 -10.158 1.00 0.00 O ATOM 1587 CG2 THR A 101 -29.864 -0.955 -10.599 1.00 0.00 C ATOM 0 H THR A 101 -28.794 -4.774 -9.009 1.00 0.00 H new ATOM 0 HA THR A 101 -29.185 -1.964 -8.149 1.00 0.00 H new ATOM 0 HB THR A 101 -29.228 -2.970 -11.018 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.421 -1.335 -11.017 1.00 0.00 H new ATOM 0 HG21 THR A 101 -29.605 -0.601 -11.597 1.00 0.00 H new ATOM 0 HG22 THR A 101 -30.925 -1.202 -10.566 1.00 0.00 H new ATOM 0 HG23 THR A 101 -29.650 -0.174 -9.870 1.00 0.00 H new ATOM 1595 N ILE A 102 -31.625 -2.224 -8.292 1.00 0.00 N ATOM 1596 CA ILE A 102 -33.040 -2.483 -8.085 1.00 0.00 C ATOM 1597 C ILE A 102 -33.856 -1.323 -8.658 1.00 0.00 C ATOM 1598 O ILE A 102 -33.312 -0.256 -8.940 1.00 0.00 O ATOM 1599 CB ILE A 102 -33.322 -2.763 -6.608 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -34.727 -3.338 -6.418 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -33.095 -1.513 -5.759 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -34.819 -4.148 -5.123 1.00 0.00 C ATOM 0 H ILE A 102 -31.333 -1.267 -8.094 1.00 0.00 H new ATOM 0 HA ILE A 102 -33.345 -3.382 -8.620 1.00 0.00 H new ATOM 0 HB ILE A 102 -32.615 -3.518 -6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -35.455 -2.527 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -34.982 -3.973 -7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -33.303 -1.741 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -32.060 -1.187 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -33.760 -0.718 -6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -35.828 -4.545 -5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -34.107 -4.972 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -34.588 -3.504 -4.274 1.00 0.00 H new ATOM 1614 N ASP A 103 -35.148 -1.570 -8.812 1.00 0.00 N ATOM 1615 CA ASP A 103 -36.045 -0.559 -9.347 1.00 0.00 C ATOM 1616 C ASP A 103 -37.469 -1.118 -9.389 1.00 0.00 C ATOM 1617 O ASP A 103 -37.675 -2.316 -9.210 1.00 0.00 O ATOM 1618 CB ASP A 103 -35.648 -0.168 -10.772 1.00 0.00 C ATOM 1619 CG ASP A 103 -35.015 1.218 -10.909 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -33.776 1.294 -10.754 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -35.782 2.170 -11.165 1.00 0.00 O ATOM 0 H ASP A 103 -35.596 -2.455 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 103 -35.986 0.319 -8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -34.948 -0.910 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -36.535 -0.210 -11.405 1.00 0.00 H new