USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=26 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 -53:sc= 1.16 USER MOD Set 1.2: A 37 THR OG1 : rot -61:sc= 0.74 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -5.27! C(o=-9.4!,f=-13!) USER MOD Set 2.2: A 24 SER OG : rot 163:sc= -4.17! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.3 USER MOD Single : A 17 GLN : amide:sc= -0.406 K(o=-0.41,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -15.1! C(o=-18!,f=-15!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -0.351 K(o=-0.35,f=-2.7!) USER MOD Single : A 31 TYR OH : rot -142:sc= -0.524 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 21:sc= -0.513 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 1.74 (180deg=1.31) USER MOD Single : A 43 HIS : no HD1:sc= -12.2! C(o=-12!,f=-14!) USER MOD Single : A 53 GLN : amide:sc= -8.95! C(o=-8.9!,f=-17!) USER MOD Single : A 59 THR OG1 : rot -150:sc= -2.21! USER MOD Single : A 61 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.0039) USER MOD Single : A 67 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-7.6!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -33:sc= 0.0406 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -92:sc= -0.156 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -10.5! C(o=-12!,f=-10!) 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= 0 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 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.315 -1.897 -22.998 1.00 0.00 N ATOM 96 CA VAL A 8 12.226 -2.676 -21.774 1.00 0.00 C ATOM 97 C VAL A 8 11.964 -4.143 -22.126 1.00 0.00 C ATOM 98 O VAL A 8 12.810 -5.003 -21.889 1.00 0.00 O ATOM 99 CB VAL A 8 11.160 -2.083 -20.851 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.136 -1.273 -21.649 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.474 -3.177 -20.031 1.00 0.00 C ATOM 0 HA VAL A 8 13.168 -2.636 -21.227 1.00 0.00 H new ATOM 0 HB VAL A 8 11.657 -1.406 -20.156 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.389 -0.862 -20.970 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.641 -0.459 -22.169 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.648 -1.921 -22.377 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.721 -2.728 -19.383 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.996 -3.890 -20.703 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.215 -3.694 -19.421 1.00 0.00 H new ATOM 111 N LYS A 9 10.787 -4.382 -22.685 1.00 0.00 N ATOM 112 CA LYS A 9 10.403 -5.728 -23.072 1.00 0.00 C ATOM 113 C LYS A 9 9.986 -6.513 -21.826 1.00 0.00 C ATOM 114 O LYS A 9 8.875 -7.035 -21.761 1.00 0.00 O ATOM 115 CB LYS A 9 11.522 -6.396 -23.874 1.00 0.00 C ATOM 116 CG LYS A 9 10.967 -7.089 -25.120 1.00 0.00 C ATOM 117 CD LYS A 9 12.095 -7.689 -25.962 1.00 0.00 C ATOM 118 CE LYS A 9 11.837 -7.472 -27.456 1.00 0.00 C ATOM 119 NZ LYS A 9 12.902 -8.108 -28.262 1.00 0.00 N ATOM 0 H LYS A 9 10.087 -3.666 -22.879 1.00 0.00 H new ATOM 0 HA LYS A 9 9.539 -5.701 -23.736 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.259 -5.649 -24.167 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.038 -7.124 -23.248 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.272 -7.875 -24.824 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.403 -6.373 -25.718 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.045 -7.233 -25.683 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.181 -8.756 -25.755 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.868 -7.890 -27.728 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.796 -6.405 -27.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.713 -7.952 -29.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.822 -7.691 -28.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.922 -9.129 -28.067 1.00 0.00 H new ATOM 133 N TYR A 10 10.901 -6.572 -20.870 1.00 0.00 N ATOM 134 CA TYR A 10 10.642 -7.283 -19.629 1.00 0.00 C ATOM 135 C TYR A 10 11.109 -6.467 -18.421 1.00 0.00 C ATOM 136 O TYR A 10 12.308 -6.307 -18.202 1.00 0.00 O ATOM 137 CB TYR A 10 11.461 -8.574 -19.705 1.00 0.00 C ATOM 138 CG TYR A 10 12.377 -8.659 -20.929 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.560 -7.950 -20.956 1.00 0.00 C ATOM 140 CD2 TYR A 10 12.019 -9.445 -22.005 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.421 -8.029 -22.108 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.880 -9.524 -23.156 1.00 0.00 C ATOM 143 CZ TYR A 10 14.039 -8.814 -23.150 1.00 0.00 C ATOM 144 OH TYR A 10 14.851 -8.890 -24.238 1.00 0.00 O ATOM 0 H TYR A 10 11.823 -6.139 -20.929 1.00 0.00 H new ATOM 0 HA TYR A 10 9.575 -7.470 -19.509 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.067 -8.661 -18.803 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.779 -9.425 -19.714 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.841 -7.336 -20.113 1.00 0.00 H new ATOM 0 HD2 TYR A 10 11.093 -10.001 -21.984 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.349 -7.477 -22.143 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.611 -10.134 -24.006 1.00 0.00 H new ATOM 0 HH TYR A 10 14.451 -9.488 -24.903 1.00 0.00 H new ATOM 154 N TYR A 11 10.136 -5.973 -17.671 1.00 0.00 N ATOM 155 CA TYR A 11 10.430 -5.177 -16.492 1.00 0.00 C ATOM 156 C TYR A 11 9.920 -5.866 -15.223 1.00 0.00 C ATOM 157 O TYR A 11 9.096 -6.777 -15.297 1.00 0.00 O ATOM 158 CB TYR A 11 9.685 -3.855 -16.675 1.00 0.00 C ATOM 159 CG TYR A 11 10.595 -2.666 -16.988 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.829 -2.874 -17.567 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.179 -1.383 -16.688 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.686 -1.754 -17.860 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.036 -0.264 -16.982 1.00 0.00 C ATOM 164 CZ TYR A 11 12.248 -0.504 -17.553 1.00 0.00 C ATOM 165 OH TYR A 11 13.056 0.554 -17.828 1.00 0.00 O ATOM 0 H TYR A 11 9.142 -6.109 -17.857 1.00 0.00 H new ATOM 0 HA TYR A 11 11.506 -5.037 -16.384 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.960 -3.967 -17.481 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.121 -3.639 -15.768 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.153 -3.877 -17.801 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.213 -1.220 -16.234 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.655 -1.904 -18.313 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.724 0.744 -16.754 1.00 0.00 H new ATOM 0 HH TYR A 11 12.612 1.384 -17.556 1.00 0.00 H new ATOM 175 N THR A 12 10.427 -5.403 -14.091 1.00 0.00 N ATOM 176 CA THR A 12 10.032 -5.962 -12.810 1.00 0.00 C ATOM 177 C THR A 12 9.143 -4.977 -12.049 1.00 0.00 C ATOM 178 O THR A 12 9.252 -3.766 -12.235 1.00 0.00 O ATOM 179 CB THR A 12 11.303 -6.346 -12.049 1.00 0.00 C ATOM 180 OG1 THR A 12 11.941 -5.098 -11.788 1.00 0.00 O ATOM 181 CG2 THR A 12 12.305 -7.101 -12.926 1.00 0.00 C ATOM 0 H THR A 12 11.109 -4.646 -14.034 1.00 0.00 H new ATOM 0 HA THR A 12 9.430 -6.861 -12.940 1.00 0.00 H new ATOM 0 HB THR A 12 11.039 -6.960 -11.188 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.774 -5.253 -11.295 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.188 -7.350 -12.338 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.846 -8.018 -13.297 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.595 -6.474 -13.769 1.00 0.00 H new ATOM 189 N LEU A 13 8.280 -5.533 -11.210 1.00 0.00 N ATOM 190 CA LEU A 13 7.373 -4.719 -10.421 1.00 0.00 C ATOM 191 C LEU A 13 8.132 -3.513 -9.860 1.00 0.00 C ATOM 192 O LEU A 13 7.596 -2.408 -9.807 1.00 0.00 O ATOM 193 CB LEU A 13 6.687 -5.567 -9.348 1.00 0.00 C ATOM 194 CG LEU A 13 5.263 -6.025 -9.665 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.605 -6.661 -8.438 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.429 -4.871 -10.229 1.00 0.00 C ATOM 0 H LEU A 13 8.191 -6.538 -11.060 1.00 0.00 H new ATOM 0 HA LEU A 13 6.571 -4.328 -11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.299 -6.450 -9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.666 -4.996 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 13 5.315 -6.793 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.593 -6.978 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.187 -7.526 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.565 -5.933 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.421 -5.223 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.382 -4.064 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.890 -4.503 -11.146 1.00 0.00 H new ATOM 208 N GLU A 14 9.368 -3.770 -9.458 1.00 0.00 N ATOM 209 CA GLU A 14 10.205 -2.719 -8.903 1.00 0.00 C ATOM 210 C GLU A 14 10.557 -1.695 -9.983 1.00 0.00 C ATOM 211 O GLU A 14 10.327 -0.499 -9.807 1.00 0.00 O ATOM 212 CB GLU A 14 11.469 -3.303 -8.269 1.00 0.00 C ATOM 213 CG GLU A 14 11.602 -2.871 -6.808 1.00 0.00 C ATOM 214 CD GLU A 14 12.527 -3.815 -6.038 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.565 -4.193 -6.622 1.00 0.00 O ATOM 216 OE2 GLU A 14 12.176 -4.137 -4.883 1.00 0.00 O ATOM 0 H GLU A 14 9.810 -4.688 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 14 9.645 -2.212 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.440 -4.391 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.345 -2.976 -8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.993 -1.855 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.618 -2.857 -6.338 1.00 0.00 H new ATOM 223 N GLU A 15 11.107 -2.199 -11.077 1.00 0.00 N ATOM 224 CA GLU A 15 11.492 -1.345 -12.186 1.00 0.00 C ATOM 225 C GLU A 15 10.374 -0.348 -12.501 1.00 0.00 C ATOM 226 O GLU A 15 10.641 0.796 -12.867 1.00 0.00 O ATOM 227 CB GLU A 15 11.851 -2.172 -13.420 1.00 0.00 C ATOM 228 CG GLU A 15 12.519 -1.305 -14.489 1.00 0.00 C ATOM 229 CD GLU A 15 14.038 -1.282 -14.308 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.604 -2.382 -14.129 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.597 -0.166 -14.348 1.00 0.00 O ATOM 0 H GLU A 15 11.296 -3.191 -11.219 1.00 0.00 H new ATOM 0 HA GLU A 15 12.381 -0.786 -11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.520 -2.984 -13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.951 -2.630 -13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.273 -1.689 -15.479 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.128 -0.289 -14.435 1.00 0.00 H new ATOM 238 N ILE A 16 9.145 -0.818 -12.346 1.00 0.00 N ATOM 239 CA ILE A 16 7.985 0.017 -12.609 1.00 0.00 C ATOM 240 C ILE A 16 7.668 0.848 -11.364 1.00 0.00 C ATOM 241 O ILE A 16 7.140 1.953 -11.470 1.00 0.00 O ATOM 242 CB ILE A 16 6.810 -0.835 -13.095 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.279 -1.889 -14.102 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.694 0.043 -13.661 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.801 -3.285 -13.696 1.00 0.00 C ATOM 0 H ILE A 16 8.927 -1.767 -12.041 1.00 0.00 H new ATOM 0 HA ILE A 16 8.196 0.718 -13.416 1.00 0.00 H new ATOM 0 HB ILE A 16 6.396 -1.368 -12.239 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.899 -1.644 -15.094 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.367 -1.877 -14.166 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.871 -0.587 -13.999 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.337 0.722 -12.886 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.077 0.622 -14.502 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.147 -4.015 -14.427 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.203 -3.536 -12.714 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.712 -3.299 -13.657 1.00 0.00 H new ATOM 257 N GLN A 17 8.004 0.285 -10.213 1.00 0.00 N ATOM 258 CA GLN A 17 7.762 0.959 -8.950 1.00 0.00 C ATOM 259 C GLN A 17 8.690 2.167 -8.806 1.00 0.00 C ATOM 260 O GLN A 17 8.500 2.999 -7.921 1.00 0.00 O ATOM 261 CB GLN A 17 7.928 -0.003 -7.772 1.00 0.00 C ATOM 262 CG GLN A 17 6.940 0.324 -6.652 1.00 0.00 C ATOM 263 CD GLN A 17 7.664 0.897 -5.432 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.864 1.115 -5.435 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.868 1.128 -4.390 1.00 0.00 N ATOM 0 H GLN A 17 8.443 -0.632 -10.129 1.00 0.00 H new ATOM 0 HA GLN A 17 6.731 1.314 -8.943 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.773 -1.028 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.947 0.056 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.202 1.041 -7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.397 -0.577 -6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.871 0.923 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.255 1.510 -3.527 1.00 0.00 H new ATOM 274 N LYS A 18 9.675 2.223 -9.690 1.00 0.00 N ATOM 275 CA LYS A 18 10.634 3.314 -9.674 1.00 0.00 C ATOM 276 C LYS A 18 10.149 4.428 -10.604 1.00 0.00 C ATOM 277 O LYS A 18 10.371 5.608 -10.334 1.00 0.00 O ATOM 278 CB LYS A 18 12.037 2.802 -10.007 1.00 0.00 C ATOM 279 CG LYS A 18 12.453 1.682 -9.052 1.00 0.00 C ATOM 280 CD LYS A 18 12.783 2.237 -7.665 1.00 0.00 C ATOM 281 CE LYS A 18 14.146 2.934 -7.665 1.00 0.00 C ATOM 282 NZ LYS A 18 14.637 3.110 -6.281 1.00 0.00 N ATOM 0 H LYS A 18 9.830 1.530 -10.422 1.00 0.00 H new ATOM 0 HA LYS A 18 10.706 3.742 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.060 2.437 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.752 3.622 -9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.649 0.950 -8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.321 1.160 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.010 2.941 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.784 1.427 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.862 2.346 -8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.065 3.904 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.562 3.584 -6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.961 3.690 -5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.733 2.180 -5.826 1.00 0.00 H new ATOM 296 N HIS A 19 9.497 4.015 -11.680 1.00 0.00 N ATOM 297 CA HIS A 19 8.979 4.962 -12.653 1.00 0.00 C ATOM 298 C HIS A 19 7.537 5.327 -12.296 1.00 0.00 C ATOM 299 O HIS A 19 6.598 4.669 -12.740 1.00 0.00 O ATOM 300 CB HIS A 19 9.117 4.412 -14.074 1.00 0.00 C ATOM 301 CG HIS A 19 10.468 4.664 -14.702 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.621 5.027 -16.029 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.723 4.604 -14.170 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.915 5.173 -16.274 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.596 4.909 -15.122 1.00 0.00 N ATOM 0 H HIS A 19 9.315 3.036 -11.900 1.00 0.00 H new ATOM 0 HA HIS A 19 9.568 5.879 -12.622 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.930 3.338 -14.057 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.347 4.859 -14.702 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.867 5.159 -16.703 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.965 4.351 -13.148 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.354 5.452 -17.220 1.00 0.00 H new ATOM 314 N ASN A 20 7.407 6.375 -11.495 1.00 0.00 N ATOM 315 CA ASN A 20 6.095 6.836 -11.074 1.00 0.00 C ATOM 316 C ASN A 20 6.011 8.354 -11.247 1.00 0.00 C ATOM 317 O ASN A 20 5.015 8.971 -10.876 1.00 0.00 O ATOM 318 CB ASN A 20 5.847 6.516 -9.598 1.00 0.00 C ATOM 319 CG ASN A 20 5.931 5.009 -9.343 1.00 0.00 C ATOM 320 OD1 ASN A 20 7.057 4.449 -9.775 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 5.033 4.396 -8.790 1.00 0.00 N flip ATOM 0 H ASN A 20 8.188 6.917 -11.127 1.00 0.00 H new ATOM 0 HA ASN A 20 5.348 6.329 -11.685 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.581 7.034 -8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.865 6.885 -9.302 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.194 4.888 -8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.121 3.392 -8.635 1.00 0.00 H new ATOM 328 N ASN A 21 7.072 8.911 -11.813 1.00 0.00 N ATOM 329 CA ASN A 21 7.131 10.346 -12.040 1.00 0.00 C ATOM 330 C ASN A 21 6.532 10.664 -13.412 1.00 0.00 C ATOM 331 O ASN A 21 6.456 9.794 -14.279 1.00 0.00 O ATOM 332 CB ASN A 21 8.578 10.846 -12.030 1.00 0.00 C ATOM 333 CG ASN A 21 9.020 11.210 -10.610 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.806 12.310 -10.130 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.648 10.227 -9.971 1.00 0.00 N ATOM 0 H ASN A 21 7.897 8.396 -12.121 1.00 0.00 H new ATOM 0 HA ASN A 21 6.573 10.838 -11.243 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.236 10.076 -12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.671 11.717 -12.679 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.984 10.371 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.794 9.330 -10.433 1.00 0.00 H new ATOM 342 N SER A 22 6.121 11.915 -13.566 1.00 0.00 N ATOM 343 CA SER A 22 5.530 12.360 -14.818 1.00 0.00 C ATOM 344 C SER A 22 6.543 12.215 -15.954 1.00 0.00 C ATOM 345 O SER A 22 6.168 12.204 -17.126 1.00 0.00 O ATOM 346 CB SER A 22 5.050 13.809 -14.714 1.00 0.00 C ATOM 347 OG SER A 22 6.138 14.728 -14.654 1.00 0.00 O ATOM 0 H SER A 22 6.185 12.634 -12.845 1.00 0.00 H new ATOM 0 HA SER A 22 4.664 11.734 -15.031 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.422 14.046 -15.573 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.430 13.923 -13.825 1.00 0.00 H new ATOM 0 HG SER A 22 5.791 15.642 -14.590 1.00 0.00 H new ATOM 353 N LYS A 23 7.806 12.107 -15.569 1.00 0.00 N ATOM 354 CA LYS A 23 8.876 11.963 -16.542 1.00 0.00 C ATOM 355 C LYS A 23 9.191 10.478 -16.733 1.00 0.00 C ATOM 356 O LYS A 23 9.874 10.102 -17.683 1.00 0.00 O ATOM 357 CB LYS A 23 10.088 12.801 -16.133 1.00 0.00 C ATOM 358 CG LYS A 23 10.058 14.176 -16.805 1.00 0.00 C ATOM 359 CD LYS A 23 11.218 15.048 -16.323 1.00 0.00 C ATOM 360 CE LYS A 23 12.128 15.443 -17.489 1.00 0.00 C ATOM 361 NZ LYS A 23 13.544 15.170 -17.157 1.00 0.00 N ATOM 0 H LYS A 23 8.113 12.116 -14.596 1.00 0.00 H new ATOM 0 HA LYS A 23 8.563 12.349 -17.512 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.102 12.922 -15.050 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.005 12.279 -16.407 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.113 14.057 -17.887 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.112 14.671 -16.587 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.828 15.945 -15.841 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.796 14.509 -15.572 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.845 14.888 -18.383 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.999 16.501 -17.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.147 15.444 -17.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.815 15.719 -16.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.666 14.156 -16.963 1.00 0.00 H new ATOM 375 N SER A 24 8.676 9.675 -15.813 1.00 0.00 N ATOM 376 CA SER A 24 8.892 8.239 -15.868 1.00 0.00 C ATOM 377 C SER A 24 7.644 7.501 -15.380 1.00 0.00 C ATOM 378 O SER A 24 7.685 6.808 -14.366 1.00 0.00 O ATOM 379 CB SER A 24 10.109 7.833 -15.033 1.00 0.00 C ATOM 380 OG SER A 24 11.246 7.558 -15.846 1.00 0.00 O ATOM 0 H SER A 24 8.110 9.992 -15.026 1.00 0.00 H new ATOM 0 HA SER A 24 9.087 7.963 -16.904 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.350 8.631 -14.331 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.865 6.951 -14.441 1.00 0.00 H new ATOM 0 HG SER A 24 12.055 7.571 -15.293 1.00 0.00 H new ATOM 386 N THR A 25 6.561 7.679 -16.125 1.00 0.00 N ATOM 387 CA THR A 25 5.305 7.038 -15.780 1.00 0.00 C ATOM 388 C THR A 25 5.219 5.651 -16.420 1.00 0.00 C ATOM 389 O THR A 25 4.785 5.517 -17.563 1.00 0.00 O ATOM 390 CB THR A 25 4.168 7.974 -16.201 1.00 0.00 C ATOM 391 OG1 THR A 25 4.730 9.277 -16.086 1.00 0.00 O ATOM 392 CG2 THR A 25 3.011 7.976 -15.200 1.00 0.00 C ATOM 0 H THR A 25 6.529 8.257 -16.965 1.00 0.00 H new ATOM 0 HA THR A 25 5.228 6.869 -14.706 1.00 0.00 H new ATOM 0 HB THR A 25 3.798 7.677 -17.182 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.106 9.393 -15.188 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.232 8.655 -15.546 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.602 6.969 -15.114 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.373 8.305 -14.226 1.00 0.00 H new ATOM 400 N TRP A 26 5.638 4.655 -15.654 1.00 0.00 N ATOM 401 CA TRP A 26 5.615 3.283 -16.131 1.00 0.00 C ATOM 402 C TRP A 26 4.585 2.512 -15.302 1.00 0.00 C ATOM 403 O TRP A 26 4.552 2.633 -14.079 1.00 0.00 O ATOM 404 CB TRP A 26 7.011 2.660 -16.079 1.00 0.00 C ATOM 405 CG TRP A 26 7.783 2.750 -17.398 1.00 0.00 C ATOM 406 CD1 TRP A 26 8.257 1.745 -18.146 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.150 3.957 -18.099 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.901 2.213 -19.273 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.834 3.601 -19.243 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.913 5.304 -17.776 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.337 4.535 -20.158 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.422 6.225 -18.700 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.112 5.884 -19.857 1.00 0.00 C ATOM 0 H TRP A 26 5.996 4.771 -14.706 1.00 0.00 H new ATOM 0 HA TRP A 26 5.319 3.244 -17.179 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.589 3.153 -15.297 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.919 1.612 -15.794 1.00 0.00 H new ATOM 0 HD1 TRP A 26 8.149 0.699 -17.898 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.344 1.645 -19.995 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.381 5.605 -16.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.869 4.231 -21.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.267 7.275 -18.499 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.473 6.656 -20.521 1.00 0.00 H new ATOM 424 N LEU A 27 3.771 1.737 -16.003 1.00 0.00 N ATOM 425 CA LEU A 27 2.743 0.946 -15.348 1.00 0.00 C ATOM 426 C LEU A 27 2.543 -0.362 -16.116 1.00 0.00 C ATOM 427 O LEU A 27 3.066 -0.524 -17.219 1.00 0.00 O ATOM 428 CB LEU A 27 1.461 1.764 -15.181 1.00 0.00 C ATOM 429 CG LEU A 27 0.443 1.653 -16.319 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.144 1.575 -17.676 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.505 0.473 -16.094 1.00 0.00 C ATOM 0 H LEU A 27 3.802 1.640 -17.018 1.00 0.00 H new ATOM 0 HA LEU A 27 3.056 0.678 -14.339 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.976 1.457 -14.254 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.735 2.813 -15.066 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.165 2.558 -16.323 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.398 1.497 -18.467 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.742 2.473 -17.829 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.792 0.699 -17.701 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.218 0.417 -16.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.070 -0.452 -16.048 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.043 0.612 -15.156 1.00 0.00 H new ATOM 443 N ILE A 28 1.786 -1.261 -15.506 1.00 0.00 N ATOM 444 CA ILE A 28 1.509 -2.548 -16.120 1.00 0.00 C ATOM 445 C ILE A 28 -0.001 -2.707 -16.308 1.00 0.00 C ATOM 446 O ILE A 28 -0.768 -2.539 -15.362 1.00 0.00 O ATOM 447 CB ILE A 28 2.150 -3.677 -15.308 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.436 -3.203 -14.629 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.383 -4.913 -16.178 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.618 -3.877 -13.268 1.00 0.00 C ATOM 0 H ILE A 28 1.355 -1.124 -14.592 1.00 0.00 H new ATOM 0 HA ILE A 28 1.960 -2.601 -17.111 1.00 0.00 H new ATOM 0 HB ILE A 28 1.457 -3.965 -14.518 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.292 -3.426 -15.267 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.407 -2.121 -14.502 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.839 -5.700 -15.577 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.430 -5.264 -16.573 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.046 -4.657 -17.004 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.540 -3.522 -12.807 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.773 -3.632 -12.625 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.671 -4.958 -13.401 1.00 0.00 H new ATOM 462 N LEU A 29 -0.381 -3.027 -17.536 1.00 0.00 N ATOM 463 CA LEU A 29 -1.786 -3.209 -17.861 1.00 0.00 C ATOM 464 C LEU A 29 -2.014 -4.647 -18.328 1.00 0.00 C ATOM 465 O LEU A 29 -1.336 -5.124 -19.237 1.00 0.00 O ATOM 466 CB LEU A 29 -2.243 -2.155 -18.871 1.00 0.00 C ATOM 467 CG LEU A 29 -3.593 -1.494 -18.585 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.190 -0.894 -19.860 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.552 -2.476 -17.909 1.00 0.00 C ATOM 0 H LEU A 29 0.259 -3.165 -18.318 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.404 -3.059 -16.976 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.483 -1.376 -18.922 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.290 -2.620 -19.856 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.431 -0.672 -17.888 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.149 -0.430 -19.629 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.511 -0.142 -20.261 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.336 -1.682 -20.599 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.504 -1.981 -17.717 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.714 -3.334 -18.562 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.122 -2.814 -16.966 1.00 0.00 H new ATOM 481 N HIS A 30 -2.972 -5.299 -17.685 1.00 0.00 N ATOM 482 CA HIS A 30 -3.298 -6.674 -18.023 1.00 0.00 C ATOM 483 C HIS A 30 -2.160 -7.595 -17.579 1.00 0.00 C ATOM 484 O HIS A 30 -2.397 -8.611 -16.927 1.00 0.00 O ATOM 485 CB HIS A 30 -3.621 -6.806 -19.512 1.00 0.00 C ATOM 486 CG HIS A 30 -4.300 -8.103 -19.882 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.106 -9.277 -19.177 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.174 -8.396 -20.887 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.834 -10.229 -19.743 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.494 -9.682 -20.803 1.00 0.00 N ATOM 0 H HIS A 30 -3.533 -4.900 -16.932 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.197 -6.980 -17.488 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.261 -5.975 -19.809 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.697 -6.716 -20.083 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.505 -9.391 -18.361 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.543 -7.700 -21.626 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.894 -11.258 -19.421 1.00 0.00 H new ATOM 499 N TYR A 31 -0.948 -7.209 -17.952 1.00 0.00 N ATOM 500 CA TYR A 31 0.226 -7.987 -17.601 1.00 0.00 C ATOM 501 C TYR A 31 1.480 -7.418 -18.269 1.00 0.00 C ATOM 502 O TYR A 31 2.599 -7.786 -17.911 1.00 0.00 O ATOM 503 CB TYR A 31 -0.026 -9.398 -18.138 1.00 0.00 C ATOM 504 CG TYR A 31 0.974 -9.846 -19.205 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.273 -10.150 -18.851 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.577 -9.947 -20.523 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.214 -10.572 -19.855 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.518 -10.369 -21.529 1.00 0.00 C ATOM 509 CZ TYR A 31 2.790 -10.661 -21.145 1.00 0.00 C ATOM 510 OH TYR A 31 3.679 -11.059 -22.093 1.00 0.00 O ATOM 0 H TYR A 31 -0.755 -6.367 -18.494 1.00 0.00 H new ATOM 0 HA TYR A 31 0.387 -7.972 -16.523 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.005 -10.103 -17.307 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.032 -9.442 -18.556 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.584 -10.071 -17.820 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.439 -9.710 -20.800 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.233 -10.812 -19.591 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.221 -10.452 -22.564 1.00 0.00 H new ATOM 0 HH TYR A 31 3.527 -10.551 -22.917 1.00 0.00 H new ATOM 520 N LYS A 32 1.253 -6.530 -19.225 1.00 0.00 N ATOM 521 CA LYS A 32 2.349 -5.907 -19.944 1.00 0.00 C ATOM 522 C LYS A 32 2.636 -4.533 -19.337 1.00 0.00 C ATOM 523 O LYS A 32 1.814 -3.993 -18.600 1.00 0.00 O ATOM 524 CB LYS A 32 2.052 -5.866 -21.445 1.00 0.00 C ATOM 525 CG LYS A 32 2.050 -7.275 -22.042 1.00 0.00 C ATOM 526 CD LYS A 32 0.770 -7.531 -22.839 1.00 0.00 C ATOM 527 CE LYS A 32 1.091 -7.954 -24.273 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.070 -7.713 -25.159 1.00 0.00 N ATOM 0 H LYS A 32 0.324 -6.227 -19.518 1.00 0.00 H new ATOM 0 HA LYS A 32 3.258 -6.499 -19.839 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.085 -5.394 -21.615 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.799 -5.254 -21.951 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.917 -7.400 -22.690 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.139 -8.012 -21.244 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.183 -8.308 -22.350 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.158 -6.629 -22.851 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.955 -7.398 -24.637 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.359 -9.010 -24.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.166 -8.006 -26.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.885 -8.263 -24.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.308 -6.701 -25.152 1.00 0.00 H new ATOM 542 N VAL A 33 3.805 -4.007 -19.670 1.00 0.00 N ATOM 543 CA VAL A 33 4.212 -2.705 -19.167 1.00 0.00 C ATOM 544 C VAL A 33 4.029 -1.658 -20.267 1.00 0.00 C ATOM 545 O VAL A 33 4.512 -1.835 -21.383 1.00 0.00 O ATOM 546 CB VAL A 33 5.646 -2.772 -18.638 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.056 -1.446 -17.996 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.814 -3.933 -17.656 1.00 0.00 C ATOM 0 H VAL A 33 4.484 -4.459 -20.282 1.00 0.00 H new ATOM 0 HA VAL A 33 3.584 -2.407 -18.327 1.00 0.00 H new ATOM 0 HB VAL A 33 6.308 -2.952 -19.485 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.079 -1.521 -17.628 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.994 -0.649 -18.737 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.387 -1.222 -17.165 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.842 -3.958 -17.295 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.137 -3.797 -16.813 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.583 -4.872 -18.160 1.00 0.00 H new ATOM 558 N TYR A 34 3.329 -0.590 -19.913 1.00 0.00 N ATOM 559 CA TYR A 34 3.077 0.486 -20.855 1.00 0.00 C ATOM 560 C TYR A 34 3.724 1.791 -20.386 1.00 0.00 C ATOM 561 O TYR A 34 3.963 1.976 -19.193 1.00 0.00 O ATOM 562 CB TYR A 34 1.558 0.668 -20.890 1.00 0.00 C ATOM 563 CG TYR A 34 0.788 -0.602 -21.255 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.828 -1.698 -20.417 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.052 -0.653 -22.421 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.104 -2.894 -20.759 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.673 -1.849 -22.765 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.612 -2.911 -21.915 1.00 0.00 C ATOM 569 OH TYR A 34 -1.297 -4.040 -22.240 1.00 0.00 O ATOM 0 H TYR A 34 2.928 -0.447 -18.986 1.00 0.00 H new ATOM 0 HA TYR A 34 3.493 0.244 -21.833 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.221 1.017 -19.914 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.312 1.449 -21.610 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.403 -1.658 -19.504 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.020 0.205 -23.076 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.129 -3.758 -20.112 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.251 -1.902 -23.676 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.443 -4.578 -21.434 1.00 0.00 H new ATOM 579 N ASP A 35 3.990 2.662 -21.348 1.00 0.00 N ATOM 580 CA ASP A 35 4.604 3.945 -21.047 1.00 0.00 C ATOM 581 C ASP A 35 3.510 4.984 -20.801 1.00 0.00 C ATOM 582 O ASP A 35 2.981 5.571 -21.744 1.00 0.00 O ATOM 583 CB ASP A 35 5.464 4.431 -22.216 1.00 0.00 C ATOM 584 CG ASP A 35 6.060 5.828 -22.043 1.00 0.00 C ATOM 585 OD1 ASP A 35 5.347 6.682 -21.470 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.214 6.013 -22.488 1.00 0.00 O ATOM 0 H ASP A 35 3.792 2.505 -22.336 1.00 0.00 H new ATOM 0 HA ASP A 35 5.232 3.820 -20.165 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.278 3.722 -22.368 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.858 4.421 -23.122 1.00 0.00 H new ATOM 591 N LEU A 36 3.202 5.181 -19.527 1.00 0.00 N ATOM 592 CA LEU A 36 2.180 6.140 -19.144 1.00 0.00 C ATOM 593 C LEU A 36 2.650 7.551 -19.504 1.00 0.00 C ATOM 594 O LEU A 36 1.835 8.424 -19.802 1.00 0.00 O ATOM 595 CB LEU A 36 1.814 5.974 -17.668 1.00 0.00 C ATOM 596 CG LEU A 36 0.966 4.747 -17.323 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.171 4.976 -16.036 1.00 0.00 C ATOM 598 CD2 LEU A 36 0.062 4.357 -18.493 1.00 0.00 C ATOM 0 H LEU A 36 3.642 4.693 -18.747 1.00 0.00 H new ATOM 0 HA LEU A 36 1.260 5.957 -19.700 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.736 5.929 -17.088 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.277 6.865 -17.344 1.00 0.00 H new ATOM 0 HG LEU A 36 1.638 3.908 -17.143 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.423 4.090 -15.813 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.859 5.168 -15.213 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.490 5.833 -16.164 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.529 3.483 -18.220 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.605 5.186 -18.730 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.674 4.124 -19.364 1.00 0.00 H new ATOM 610 N THR A 37 3.963 7.731 -19.466 1.00 0.00 N ATOM 611 CA THR A 37 4.551 9.021 -19.784 1.00 0.00 C ATOM 612 C THR A 37 4.025 9.530 -21.130 1.00 0.00 C ATOM 613 O THR A 37 4.106 10.722 -21.421 1.00 0.00 O ATOM 614 CB THR A 37 6.072 8.870 -19.745 1.00 0.00 C ATOM 615 OG1 THR A 37 6.443 9.420 -18.484 1.00 0.00 O ATOM 616 CG2 THR A 37 6.777 9.767 -20.765 1.00 0.00 C ATOM 0 H THR A 37 4.636 7.005 -19.220 1.00 0.00 H new ATOM 0 HA THR A 37 4.266 9.777 -19.052 1.00 0.00 H new ATOM 0 HB THR A 37 6.338 7.830 -19.932 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.186 10.365 -18.451 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.855 9.620 -20.695 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.440 9.510 -21.769 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.539 10.810 -20.558 1.00 0.00 H new ATOM 624 N LYS A 38 3.499 8.599 -21.913 1.00 0.00 N ATOM 625 CA LYS A 38 2.961 8.937 -23.219 1.00 0.00 C ATOM 626 C LYS A 38 1.461 9.215 -23.093 1.00 0.00 C ATOM 627 O LYS A 38 0.924 10.075 -23.787 1.00 0.00 O ATOM 628 CB LYS A 38 3.301 7.847 -24.237 1.00 0.00 C ATOM 629 CG LYS A 38 3.522 8.446 -25.628 1.00 0.00 C ATOM 630 CD LYS A 38 2.823 7.611 -26.702 1.00 0.00 C ATOM 631 CE LYS A 38 1.739 8.425 -27.409 1.00 0.00 C ATOM 632 NZ LYS A 38 1.063 7.604 -28.440 1.00 0.00 N ATOM 0 H LYS A 38 3.434 7.611 -21.668 1.00 0.00 H new ATOM 0 HA LYS A 38 3.423 9.849 -23.596 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.198 7.315 -23.920 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.493 7.116 -24.276 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.143 9.468 -25.652 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.590 8.497 -25.840 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.555 7.263 -27.431 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.379 6.725 -26.248 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.009 8.779 -26.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.182 9.307 -27.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.533 8.224 -29.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.774 7.070 -28.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.407 6.941 -27.980 1.00 0.00 H new ATOM 646 N PHE A 39 0.828 8.468 -22.198 1.00 0.00 N ATOM 647 CA PHE A 39 -0.598 8.623 -21.971 1.00 0.00 C ATOM 648 C PHE A 39 -0.888 9.860 -21.120 1.00 0.00 C ATOM 649 O PHE A 39 -2.043 10.243 -20.946 1.00 0.00 O ATOM 650 CB PHE A 39 -1.069 7.377 -21.217 1.00 0.00 C ATOM 651 CG PHE A 39 -1.544 6.242 -22.127 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.641 6.412 -22.911 1.00 0.00 C ATOM 653 CD2 PHE A 39 -0.867 5.063 -22.150 1.00 0.00 C ATOM 654 CE1 PHE A 39 -3.081 5.358 -23.754 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.307 4.008 -22.993 1.00 0.00 C ATOM 656 CZ PHE A 39 -2.404 4.178 -23.778 1.00 0.00 C ATOM 0 H PHE A 39 1.277 7.755 -21.623 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.115 8.742 -22.923 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.253 7.012 -20.594 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.882 7.656 -20.547 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.178 7.349 -22.893 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.005 4.929 -21.527 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.953 5.493 -24.376 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.770 3.071 -23.010 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.738 3.377 -24.420 1.00 0.00 H new ATOM 666 N LEU A 40 0.183 10.452 -20.609 1.00 0.00 N ATOM 667 CA LEU A 40 0.060 11.638 -19.779 1.00 0.00 C ATOM 668 C LEU A 40 -0.665 12.732 -20.565 1.00 0.00 C ATOM 669 O LEU A 40 -1.079 13.740 -19.996 1.00 0.00 O ATOM 670 CB LEU A 40 1.429 12.066 -19.249 1.00 0.00 C ATOM 671 CG LEU A 40 1.964 11.274 -18.054 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.952 12.112 -17.240 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.817 10.743 -17.191 1.00 0.00 C ATOM 0 H LEU A 40 1.140 10.131 -20.754 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.544 11.425 -18.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.151 11.990 -20.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.375 13.118 -18.968 1.00 0.00 H new ATOM 0 HG LEU A 40 2.509 10.410 -18.433 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.317 11.526 -16.397 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.792 12.401 -17.872 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.452 13.007 -16.870 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.224 10.184 -16.349 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.224 11.579 -16.819 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.184 10.088 -17.790 1.00 0.00 H new ATOM 685 N GLU A 41 -0.798 12.496 -21.863 1.00 0.00 N ATOM 686 CA GLU A 41 -1.464 13.448 -22.733 1.00 0.00 C ATOM 687 C GLU A 41 -2.888 12.980 -23.039 1.00 0.00 C ATOM 688 O GLU A 41 -3.838 13.754 -22.927 1.00 0.00 O ATOM 689 CB GLU A 41 -0.669 13.665 -24.022 1.00 0.00 C ATOM 690 CG GLU A 41 -0.772 15.116 -24.492 1.00 0.00 C ATOM 691 CD GLU A 41 -0.401 15.241 -25.971 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.817 15.280 -26.249 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.344 15.295 -26.790 1.00 0.00 O ATOM 0 H GLU A 41 -0.455 11.658 -22.332 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.520 14.406 -22.215 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.377 13.406 -23.856 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.043 13.000 -24.800 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.787 15.481 -24.336 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.112 15.744 -23.893 1.00 0.00 H new ATOM 700 N GLU A 42 -2.992 11.715 -23.420 1.00 0.00 N ATOM 701 CA GLU A 42 -4.284 11.134 -23.742 1.00 0.00 C ATOM 702 C GLU A 42 -4.979 10.644 -22.471 1.00 0.00 C ATOM 703 O GLU A 42 -4.585 9.629 -21.898 1.00 0.00 O ATOM 704 CB GLU A 42 -4.138 10.001 -24.760 1.00 0.00 C ATOM 705 CG GLU A 42 -4.566 10.458 -26.157 1.00 0.00 C ATOM 706 CD GLU A 42 -3.348 10.716 -27.046 1.00 0.00 C ATOM 707 OE1 GLU A 42 -2.727 11.786 -26.861 1.00 0.00 O ATOM 708 OE2 GLU A 42 -3.066 9.839 -27.890 1.00 0.00 O ATOM 0 H GLU A 42 -2.202 11.076 -23.513 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.904 11.907 -24.195 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.102 9.662 -24.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.744 9.149 -24.451 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.200 9.698 -26.614 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.163 11.367 -26.079 1.00 0.00 H new ATOM 715 N HIS A 43 -5.999 11.386 -22.067 1.00 0.00 N ATOM 716 CA HIS A 43 -6.752 11.038 -20.874 1.00 0.00 C ATOM 717 C HIS A 43 -7.692 12.189 -20.506 1.00 0.00 C ATOM 718 O HIS A 43 -7.247 13.321 -20.316 1.00 0.00 O ATOM 719 CB HIS A 43 -5.811 10.653 -19.731 1.00 0.00 C ATOM 720 CG HIS A 43 -6.052 9.268 -19.176 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.101 8.264 -19.226 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.145 8.735 -18.559 1.00 0.00 C ATOM 723 CE1 HIS A 43 -5.610 7.179 -18.663 1.00 0.00 C ATOM 724 NE2 HIS A 43 -6.877 7.472 -18.251 1.00 0.00 N ATOM 0 H HIS A 43 -6.322 12.227 -22.545 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.368 10.161 -21.072 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.782 10.718 -20.084 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.918 11.380 -18.926 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.071 9.252 -18.356 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.110 6.229 -18.550 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.514 6.827 -17.783 1.00 0.00 H new ATOM 733 N PRO A 44 -9.005 11.851 -20.414 1.00 0.00 N ATOM 734 CA PRO A 44 -10.011 12.843 -20.073 1.00 0.00 C ATOM 735 C PRO A 44 -9.959 13.186 -18.582 1.00 0.00 C ATOM 736 O PRO A 44 -10.664 14.083 -18.124 1.00 0.00 O ATOM 737 CB PRO A 44 -11.333 12.224 -20.495 1.00 0.00 C ATOM 738 CG PRO A 44 -11.072 10.732 -20.626 1.00 0.00 C ATOM 739 CD PRO A 44 -9.567 10.521 -20.634 1.00 0.00 C ATOM 0 HA PRO A 44 -9.853 13.795 -20.580 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.110 12.421 -19.756 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.677 12.645 -21.440 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.529 10.190 -19.798 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.516 10.346 -21.543 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.260 9.827 -19.851 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.231 10.101 -21.582 1.00 0.00 H new ATOM 747 N GLY A 45 -9.118 12.452 -17.869 1.00 0.00 N ATOM 748 CA GLY A 45 -8.965 12.666 -16.439 1.00 0.00 C ATOM 749 C GLY A 45 -7.748 13.546 -16.144 1.00 0.00 C ATOM 750 O GLY A 45 -7.873 14.591 -15.508 1.00 0.00 O ATOM 0 H GLY A 45 -8.535 11.709 -18.254 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.864 13.136 -16.040 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.856 11.706 -15.934 1.00 0.00 H new ATOM 754 N GLY A 46 -6.599 13.090 -16.621 1.00 0.00 N ATOM 755 CA GLY A 46 -5.361 13.824 -16.415 1.00 0.00 C ATOM 756 C GLY A 46 -4.157 12.881 -16.434 1.00 0.00 C ATOM 757 O GLY A 46 -4.269 11.733 -16.862 1.00 0.00 O ATOM 0 H GLY A 46 -6.499 12.223 -17.149 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.248 14.580 -17.192 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.400 14.351 -15.462 1.00 0.00 H new ATOM 761 N GLU A 47 -3.033 13.400 -15.964 1.00 0.00 N ATOM 762 CA GLU A 47 -1.808 12.618 -15.921 1.00 0.00 C ATOM 763 C GLU A 47 -1.810 11.694 -14.703 1.00 0.00 C ATOM 764 O GLU A 47 -1.389 10.541 -14.793 1.00 0.00 O ATOM 765 CB GLU A 47 -0.577 13.527 -15.916 1.00 0.00 C ATOM 766 CG GLU A 47 -0.252 14.019 -17.329 1.00 0.00 C ATOM 767 CD GLU A 47 -1.172 15.172 -17.732 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.372 14.893 -17.947 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.655 16.307 -17.817 1.00 0.00 O ATOM 0 H GLU A 47 -2.944 14.352 -15.610 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.762 12.003 -16.820 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.754 14.381 -15.262 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.278 12.986 -15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.787 14.345 -17.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.360 13.198 -18.038 1.00 0.00 H new ATOM 776 N GLU A 48 -2.292 12.232 -13.592 1.00 0.00 N ATOM 777 CA GLU A 48 -2.355 11.469 -12.357 1.00 0.00 C ATOM 778 C GLU A 48 -3.053 10.128 -12.595 1.00 0.00 C ATOM 779 O GLU A 48 -2.619 9.100 -12.082 1.00 0.00 O ATOM 780 CB GLU A 48 -3.058 12.265 -11.256 1.00 0.00 C ATOM 781 CG GLU A 48 -2.196 12.339 -9.995 1.00 0.00 C ATOM 782 CD GLU A 48 -2.973 12.962 -8.833 1.00 0.00 C ATOM 783 OE1 GLU A 48 -4.153 12.585 -8.672 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.369 13.805 -8.133 1.00 0.00 O ATOM 0 H GLU A 48 -2.643 13.187 -13.521 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.336 11.271 -12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.274 13.272 -11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.014 11.799 -11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.863 11.338 -9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.302 12.929 -10.196 1.00 0.00 H new ATOM 791 N VAL A 49 -4.123 10.185 -13.375 1.00 0.00 N ATOM 792 CA VAL A 49 -4.884 8.990 -13.689 1.00 0.00 C ATOM 793 C VAL A 49 -3.926 7.876 -14.116 1.00 0.00 C ATOM 794 O VAL A 49 -4.254 6.696 -14.013 1.00 0.00 O ATOM 795 CB VAL A 49 -5.944 9.306 -14.747 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.317 9.392 -16.141 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.074 8.275 -14.718 1.00 0.00 C ATOM 0 H VAL A 49 -4.480 11.041 -13.799 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.419 8.637 -12.808 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.373 10.280 -14.510 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.091 9.617 -16.875 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.564 10.180 -16.153 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.849 8.439 -16.389 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.813 8.524 -15.480 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.667 7.284 -14.917 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.548 8.282 -13.736 1.00 0.00 H new ATOM 807 N LEU A 50 -2.760 8.292 -14.588 1.00 0.00 N ATOM 808 CA LEU A 50 -1.751 7.346 -15.032 1.00 0.00 C ATOM 809 C LEU A 50 -0.575 7.364 -14.053 1.00 0.00 C ATOM 810 O LEU A 50 -0.048 6.313 -13.689 1.00 0.00 O ATOM 811 CB LEU A 50 -1.350 7.629 -16.481 1.00 0.00 C ATOM 812 CG LEU A 50 -2.502 7.791 -17.476 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.443 9.155 -18.165 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.521 6.639 -18.483 1.00 0.00 C ATOM 0 H LEU A 50 -2.492 9.272 -14.673 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.153 6.333 -15.030 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.749 8.538 -16.500 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.710 6.817 -16.825 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.441 7.751 -16.923 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.272 9.244 -18.867 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.514 9.944 -17.416 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.500 9.250 -18.704 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.349 6.778 -19.179 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.581 6.623 -19.035 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.647 5.695 -17.953 1.00 0.00 H new ATOM 826 N ARG A 51 -0.196 8.570 -13.657 1.00 0.00 N ATOM 827 CA ARG A 51 0.908 8.740 -12.728 1.00 0.00 C ATOM 828 C ARG A 51 0.563 8.118 -11.373 1.00 0.00 C ATOM 829 O ARG A 51 1.371 7.394 -10.793 1.00 0.00 O ATOM 830 CB ARG A 51 1.242 10.219 -12.532 1.00 0.00 C ATOM 831 CG ARG A 51 2.685 10.398 -12.057 1.00 0.00 C ATOM 832 CD ARG A 51 2.736 10.681 -10.554 1.00 0.00 C ATOM 833 NE ARG A 51 4.065 11.218 -10.186 1.00 0.00 N ATOM 834 CZ ARG A 51 4.473 12.465 -10.455 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.657 13.312 -11.099 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.695 12.866 -10.083 1.00 0.00 N ATOM 0 H ARG A 51 -0.634 9.439 -13.963 1.00 0.00 H new ATOM 0 HA ARG A 51 1.777 8.237 -13.152 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.095 10.756 -13.469 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.559 10.656 -11.804 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.260 9.499 -12.281 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.152 11.219 -12.601 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.958 11.395 -10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.537 9.766 -9.996 1.00 0.00 H new ATOM 0 HE ARG A 51 4.711 10.599 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.726 13.006 -11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.967 14.262 -11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.316 12.222 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.005 13.816 -10.288 1.00 0.00 H new ATOM 850 N GLU A 52 -0.639 8.424 -10.908 1.00 0.00 N ATOM 851 CA GLU A 52 -1.103 7.905 -9.632 1.00 0.00 C ATOM 852 C GLU A 52 -1.073 6.376 -9.638 1.00 0.00 C ATOM 853 O GLU A 52 -1.001 5.747 -8.583 1.00 0.00 O ATOM 854 CB GLU A 52 -2.504 8.424 -9.304 1.00 0.00 C ATOM 855 CG GLU A 52 -2.590 8.895 -7.851 1.00 0.00 C ATOM 856 CD GLU A 52 -2.494 7.713 -6.885 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.244 6.737 -7.106 1.00 0.00 O ATOM 858 OE2 GLU A 52 -1.674 7.811 -5.947 1.00 0.00 O ATOM 0 H GLU A 52 -1.306 9.025 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.429 8.260 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.756 9.248 -9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.237 7.636 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.787 9.603 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.529 9.424 -7.692 1.00 0.00 H new ATOM 865 N GLN A 53 -1.127 5.819 -10.840 1.00 0.00 N ATOM 866 CA GLN A 53 -1.107 4.375 -10.998 1.00 0.00 C ATOM 867 C GLN A 53 0.320 3.891 -11.274 1.00 0.00 C ATOM 868 O GLN A 53 0.682 2.775 -10.906 1.00 0.00 O ATOM 869 CB GLN A 53 -2.060 3.931 -12.108 1.00 0.00 C ATOM 870 CG GLN A 53 -1.632 4.504 -13.461 1.00 0.00 C ATOM 871 CD GLN A 53 -2.422 3.862 -14.603 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.067 2.821 -15.131 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.513 4.539 -14.954 1.00 0.00 N ATOM 0 H GLN A 53 -1.185 6.343 -11.713 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.450 3.923 -10.068 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.081 2.842 -12.160 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.073 4.258 -11.875 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.787 5.583 -13.468 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.566 4.334 -13.611 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.754 5.405 -14.471 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.108 4.192 -15.706 1.00 0.00 H new ATOM 882 N ALA A 54 1.088 4.755 -11.920 1.00 0.00 N ATOM 883 CA ALA A 54 2.465 4.430 -12.250 1.00 0.00 C ATOM 884 C ALA A 54 3.173 3.903 -11.000 1.00 0.00 C ATOM 885 O ALA A 54 3.086 4.507 -9.932 1.00 0.00 O ATOM 886 CB ALA A 54 3.156 5.665 -12.834 1.00 0.00 C ATOM 0 H ALA A 54 0.783 5.680 -12.224 1.00 0.00 H new ATOM 0 HA ALA A 54 2.504 3.646 -13.007 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.189 5.421 -13.081 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.632 5.983 -13.736 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.139 6.472 -12.101 1.00 0.00 H new ATOM 892 N GLY A 55 3.859 2.782 -11.175 1.00 0.00 N ATOM 893 CA GLY A 55 4.582 2.167 -10.076 1.00 0.00 C ATOM 894 C GLY A 55 4.415 0.646 -10.094 1.00 0.00 C ATOM 895 O GLY A 55 5.104 -0.066 -9.364 1.00 0.00 O ATOM 0 H GLY A 55 3.929 2.284 -12.063 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.640 2.421 -10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.219 2.565 -9.129 1.00 0.00 H new ATOM 899 N GLY A 56 3.497 0.193 -10.934 1.00 0.00 N ATOM 900 CA GLY A 56 3.232 -1.230 -11.056 1.00 0.00 C ATOM 901 C GLY A 56 1.990 -1.485 -11.914 1.00 0.00 C ATOM 902 O GLY A 56 1.578 -0.623 -12.688 1.00 0.00 O ATOM 0 H GLY A 56 2.927 0.786 -11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.094 -1.727 -11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.090 -1.663 -10.066 1.00 0.00 H new ATOM 906 N ASP A 57 1.429 -2.675 -11.747 1.00 0.00 N ATOM 907 CA ASP A 57 0.243 -3.054 -12.496 1.00 0.00 C ATOM 908 C ASP A 57 -0.925 -2.157 -12.081 1.00 0.00 C ATOM 909 O ASP A 57 -1.359 -2.191 -10.929 1.00 0.00 O ATOM 910 CB ASP A 57 -0.149 -4.504 -12.211 1.00 0.00 C ATOM 911 CG ASP A 57 -1.633 -4.823 -12.397 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.384 -4.628 -11.417 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.985 -5.253 -13.517 1.00 0.00 O ATOM 0 H ASP A 57 1.774 -3.388 -11.104 1.00 0.00 H new ATOM 0 HA ASP A 57 0.465 -2.943 -13.557 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.431 -5.156 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.133 -4.746 -11.186 1.00 0.00 H new ATOM 918 N ALA A 58 -1.403 -1.378 -13.039 1.00 0.00 N ATOM 919 CA ALA A 58 -2.512 -0.475 -12.787 1.00 0.00 C ATOM 920 C ALA A 58 -3.821 -1.154 -13.199 1.00 0.00 C ATOM 921 O ALA A 58 -4.902 -0.717 -12.805 1.00 0.00 O ATOM 922 CB ALA A 58 -2.280 0.842 -13.532 1.00 0.00 C ATOM 0 H ALA A 58 -1.042 -1.354 -13.993 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.581 -0.241 -11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.113 1.519 -13.342 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.354 1.299 -13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.208 0.647 -14.602 1.00 0.00 H new ATOM 928 N THR A 59 -3.680 -2.211 -13.985 1.00 0.00 N ATOM 929 CA THR A 59 -4.837 -2.954 -14.455 1.00 0.00 C ATOM 930 C THR A 59 -5.859 -3.116 -13.328 1.00 0.00 C ATOM 931 O THR A 59 -7.018 -2.735 -13.475 1.00 0.00 O ATOM 932 CB THR A 59 -4.344 -4.286 -15.023 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.098 -4.452 -16.222 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.752 -5.480 -14.158 1.00 0.00 C ATOM 0 H THR A 59 -2.782 -2.571 -14.308 1.00 0.00 H new ATOM 0 HA THR A 59 -5.356 -2.417 -15.249 1.00 0.00 H new ATOM 0 HB THR A 59 -3.258 -4.261 -15.116 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.226 -5.407 -16.398 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.377 -6.400 -14.607 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.332 -5.366 -13.159 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.839 -5.526 -14.091 1.00 0.00 H new ATOM 942 N GLU A 60 -5.392 -3.685 -12.225 1.00 0.00 N ATOM 943 CA GLU A 60 -6.251 -3.901 -11.074 1.00 0.00 C ATOM 944 C GLU A 60 -7.199 -2.716 -10.887 1.00 0.00 C ATOM 945 O GLU A 60 -8.372 -2.900 -10.569 1.00 0.00 O ATOM 946 CB GLU A 60 -5.423 -4.146 -9.811 1.00 0.00 C ATOM 947 CG GLU A 60 -4.338 -3.080 -9.650 1.00 0.00 C ATOM 948 CD GLU A 60 -4.608 -2.202 -8.427 1.00 0.00 C ATOM 949 OE1 GLU A 60 -4.759 -2.786 -7.332 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.659 -0.967 -8.613 1.00 0.00 O ATOM 0 H GLU A 60 -4.430 -4.002 -12.105 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.850 -4.793 -11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.075 -4.140 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.963 -5.133 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.364 -3.560 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.297 -2.460 -10.545 1.00 0.00 H new ATOM 957 N ASN A 61 -6.654 -1.526 -11.092 1.00 0.00 N ATOM 958 CA ASN A 61 -7.436 -0.309 -10.949 1.00 0.00 C ATOM 959 C ASN A 61 -8.129 0.003 -12.277 1.00 0.00 C ATOM 960 O ASN A 61 -9.341 0.213 -12.314 1.00 0.00 O ATOM 961 CB ASN A 61 -6.544 0.880 -10.589 1.00 0.00 C ATOM 962 CG ASN A 61 -7.083 1.617 -9.361 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.229 2.031 -9.306 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.194 1.759 -8.383 1.00 0.00 N ATOM 0 H ASN A 61 -5.680 -1.378 -11.356 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.164 -0.466 -10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.530 0.532 -10.393 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.488 1.566 -11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.456 2.239 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.250 1.388 -8.494 1.00 0.00 H new ATOM 971 N PHE A 62 -7.332 0.025 -13.334 1.00 0.00 N ATOM 972 CA PHE A 62 -7.854 0.308 -14.660 1.00 0.00 C ATOM 973 C PHE A 62 -9.038 -0.602 -14.989 1.00 0.00 C ATOM 974 O PHE A 62 -9.793 -0.332 -15.922 1.00 0.00 O ATOM 975 CB PHE A 62 -6.724 0.034 -15.654 1.00 0.00 C ATOM 976 CG PHE A 62 -7.148 -0.800 -16.864 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.483 -2.110 -16.704 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.188 -0.235 -18.100 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.877 -2.884 -17.826 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.583 -1.009 -19.222 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.917 -2.317 -19.062 1.00 0.00 C ATOM 0 H PHE A 62 -6.327 -0.149 -13.299 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.199 1.341 -14.711 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.323 0.985 -16.004 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.915 -0.481 -15.136 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.449 -2.560 -15.723 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.919 0.803 -18.228 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.145 -3.922 -17.699 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.618 -0.559 -20.203 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.214 -2.906 -19.917 1.00 0.00 H new ATOM 991 N GLU A 63 -9.164 -1.664 -14.206 1.00 0.00 N ATOM 992 CA GLU A 63 -10.243 -2.616 -14.402 1.00 0.00 C ATOM 993 C GLU A 63 -11.514 -2.130 -13.699 1.00 0.00 C ATOM 994 O GLU A 63 -12.622 -2.369 -14.179 1.00 0.00 O ATOM 995 CB GLU A 63 -9.843 -4.007 -13.910 1.00 0.00 C ATOM 996 CG GLU A 63 -9.277 -4.851 -15.054 1.00 0.00 C ATOM 997 CD GLU A 63 -10.307 -5.868 -15.548 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.280 -5.421 -16.193 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.099 -7.069 -15.271 1.00 0.00 O ATOM 0 H GLU A 63 -8.535 -1.886 -13.434 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.447 -2.689 -15.470 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.100 -3.917 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.710 -4.507 -13.478 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.979 -4.201 -15.877 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.380 -5.371 -14.718 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.311 -1.458 -12.577 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.425 -0.937 -11.804 1.00 0.00 C ATOM 1008 C ASP A 64 -13.061 0.234 -12.558 1.00 0.00 C ATOM 1009 O ASP A 64 -14.268 0.453 -12.469 1.00 0.00 O ATOM 1010 CB ASP A 64 -11.959 -0.423 -10.441 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.835 -0.841 -9.258 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.831 -1.553 -9.513 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.489 -0.441 -8.126 1.00 0.00 O ATOM 0 H ASP A 64 -10.391 -1.262 -12.184 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.141 -1.746 -11.659 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.943 -0.776 -10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.916 0.666 -10.475 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.219 0.954 -13.284 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.683 2.097 -14.053 1.00 0.00 C ATOM 1020 C VAL A 65 -13.289 1.607 -15.370 1.00 0.00 C ATOM 1021 O VAL A 65 -13.700 2.411 -16.204 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.537 3.091 -14.256 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.179 2.392 -14.156 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.679 3.828 -15.588 1.00 0.00 C ATOM 0 H VAL A 65 -11.219 0.769 -13.356 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.466 2.629 -13.512 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.591 3.831 -13.458 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.383 3.121 -14.304 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.076 1.937 -13.171 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.110 1.619 -14.922 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.852 4.528 -15.707 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.665 3.108 -16.406 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.622 4.375 -15.603 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.322 0.291 -15.515 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.871 -0.315 -16.717 1.00 0.00 C ATOM 1036 C GLY A 66 -13.609 0.563 -17.942 1.00 0.00 C ATOM 1037 O GLY A 66 -14.491 1.298 -18.385 1.00 0.00 O ATOM 0 H GLY A 66 -12.978 -0.373 -14.821 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.426 -1.299 -16.868 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.944 -0.465 -16.595 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.393 0.457 -18.457 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.003 1.232 -19.623 1.00 0.00 C ATOM 1043 C HIS A 67 -12.752 0.718 -20.854 1.00 0.00 C ATOM 1044 O HIS A 67 -13.555 -0.209 -20.755 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.483 1.216 -19.803 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.743 2.131 -18.859 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.267 1.713 -17.629 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.402 3.447 -18.977 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.668 2.739 -17.043 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.753 3.813 -17.878 1.00 0.00 N ATOM 0 H HIS A 67 -11.664 -0.154 -18.088 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.282 2.276 -19.481 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.122 0.197 -19.663 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.246 1.500 -20.828 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.361 0.775 -17.240 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.623 4.083 -19.821 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.195 2.727 -16.072 1.00 0.00 H new ATOM 1059 N SER A 68 -12.464 1.343 -21.987 1.00 0.00 N ATOM 1060 CA SER A 68 -13.101 0.962 -23.235 1.00 0.00 C ATOM 1061 C SER A 68 -12.145 0.104 -24.068 1.00 0.00 C ATOM 1062 O SER A 68 -10.930 0.281 -24.003 1.00 0.00 O ATOM 1063 CB SER A 68 -13.537 2.194 -24.030 1.00 0.00 C ATOM 1064 OG SER A 68 -12.468 2.744 -24.792 1.00 0.00 O ATOM 0 H SER A 68 -11.797 2.111 -22.066 1.00 0.00 H new ATOM 0 HA SER A 68 -13.993 0.381 -23.001 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.356 1.924 -24.697 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.920 2.950 -23.345 1.00 0.00 H new ATOM 0 HG SER A 68 -12.788 3.528 -25.286 1.00 0.00 H new ATOM 1070 N THR A 69 -12.730 -0.806 -24.832 1.00 0.00 N ATOM 1071 CA THR A 69 -11.947 -1.691 -25.677 1.00 0.00 C ATOM 1072 C THR A 69 -10.958 -0.886 -26.519 1.00 0.00 C ATOM 1073 O THR A 69 -9.962 -1.425 -26.999 1.00 0.00 O ATOM 1074 CB THR A 69 -12.917 -2.528 -26.514 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.266 -3.614 -25.658 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.234 -3.198 -27.706 1.00 0.00 C ATOM 0 H THR A 69 -13.738 -0.950 -24.884 1.00 0.00 H new ATOM 0 HA THR A 69 -11.340 -2.372 -25.080 1.00 0.00 H new ATOM 0 HB THR A 69 -13.729 -1.894 -26.871 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.894 -4.207 -26.121 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.967 -3.779 -28.266 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.804 -2.435 -28.355 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.444 -3.858 -27.349 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.265 0.394 -26.673 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.414 1.280 -27.450 1.00 0.00 C ATOM 1086 C ASP A 70 -9.188 1.663 -26.617 1.00 0.00 C ATOM 1087 O ASP A 70 -8.057 1.552 -27.084 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.153 2.566 -27.821 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.390 3.503 -28.761 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -10.192 3.098 -29.928 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.020 4.600 -28.291 1.00 0.00 O ATOM 0 H ASP A 70 -12.091 0.839 -26.273 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.122 0.756 -28.360 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.101 2.300 -28.288 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.390 3.108 -26.905 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.458 2.104 -25.397 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.390 2.505 -24.495 1.00 0.00 C ATOM 1098 C ALA A 71 -7.422 1.336 -24.307 1.00 0.00 C ATOM 1099 O ALA A 71 -6.206 1.520 -24.343 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.994 2.982 -23.172 1.00 0.00 C ATOM 0 H ALA A 71 -10.398 2.193 -25.012 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.824 3.337 -24.914 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.195 3.283 -22.495 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.652 3.831 -23.357 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.566 2.172 -22.720 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.997 0.158 -24.112 1.00 0.00 N ATOM 1107 CA ARG A 72 -7.199 -1.042 -23.919 1.00 0.00 C ATOM 1108 C ARG A 72 -6.361 -1.328 -25.165 1.00 0.00 C ATOM 1109 O ARG A 72 -5.156 -1.556 -25.069 1.00 0.00 O ATOM 1110 CB ARG A 72 -8.087 -2.251 -23.619 1.00 0.00 C ATOM 1111 CG ARG A 72 -9.084 -1.937 -22.502 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.933 -3.163 -22.165 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.060 -4.330 -21.909 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.635 -5.172 -22.860 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.002 -4.984 -24.135 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.844 -6.205 -22.536 1.00 0.00 N ATOM 0 H ARG A 72 -9.006 0.009 -24.083 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.541 -0.870 -23.067 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.626 -2.543 -24.520 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.467 -3.099 -23.329 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.547 -1.606 -21.613 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.731 -1.115 -22.808 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.548 -2.960 -21.288 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.613 -3.381 -22.988 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.763 -4.504 -20.949 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.605 -4.199 -24.382 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.678 -5.625 -24.859 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.566 -6.350 -21.565 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.520 -6.846 -23.260 1.00 0.00 H new ATOM 1130 N GLU A 73 -7.032 -1.307 -26.309 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.363 -1.561 -27.572 1.00 0.00 C ATOM 1132 C GLU A 73 -5.269 -0.519 -27.815 1.00 0.00 C ATOM 1133 O GLU A 73 -4.178 -0.855 -28.270 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.366 -1.582 -28.729 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.645 -3.015 -29.187 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.704 -3.101 -30.713 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.758 -2.716 -31.264 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -6.692 -3.550 -31.294 1.00 0.00 O ATOM 0 H GLU A 73 -8.031 -1.118 -26.386 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.895 -2.544 -27.520 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.297 -1.109 -28.417 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.976 -0.999 -29.564 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.866 -3.679 -28.812 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.588 -3.359 -28.763 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.600 0.724 -27.499 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.660 1.818 -27.676 1.00 0.00 C ATOM 1147 C LEU A 74 -3.410 1.550 -26.834 1.00 0.00 C ATOM 1148 O LEU A 74 -2.299 1.882 -27.245 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.332 3.157 -27.371 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.770 3.933 -26.178 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.592 4.813 -26.601 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.869 4.740 -25.483 1.00 0.00 C ATOM 0 H LEU A 74 -6.507 0.998 -27.121 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.338 1.880 -28.716 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.258 3.788 -28.257 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.393 2.977 -27.195 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.389 3.215 -25.452 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.212 5.353 -25.734 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.801 4.188 -27.015 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.923 5.526 -27.356 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.443 5.282 -24.639 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.301 5.449 -26.189 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.646 4.064 -25.126 1.00 0.00 H new ATOM 1164 N SER A 75 -3.634 0.954 -25.673 1.00 0.00 N ATOM 1165 CA SER A 75 -2.540 0.639 -24.770 1.00 0.00 C ATOM 1166 C SER A 75 -1.576 -0.344 -25.439 1.00 0.00 C ATOM 1167 O SER A 75 -0.372 -0.304 -25.191 1.00 0.00 O ATOM 1168 CB SER A 75 -3.062 0.058 -23.455 1.00 0.00 C ATOM 1169 OG SER A 75 -4.421 0.413 -23.216 1.00 0.00 O ATOM 0 H SER A 75 -4.557 0.681 -25.336 1.00 0.00 H new ATOM 0 HA SER A 75 -2.007 1.562 -24.542 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.970 -1.028 -23.477 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.444 0.414 -22.631 1.00 0.00 H new ATOM 0 HG SER A 75 -4.596 1.304 -23.585 1.00 0.00 H new ATOM 1175 N LYS A 76 -2.143 -1.204 -26.273 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.349 -2.195 -26.979 1.00 0.00 C ATOM 1177 C LYS A 76 -0.279 -1.486 -27.812 1.00 0.00 C ATOM 1178 O LYS A 76 0.714 -2.098 -28.203 1.00 0.00 O ATOM 1179 CB LYS A 76 -2.253 -3.121 -27.797 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.364 -2.640 -29.244 1.00 0.00 C ATOM 1181 CD LYS A 76 -1.337 -3.340 -30.136 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.025 -4.122 -31.256 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.060 -5.017 -31.932 1.00 0.00 N ATOM 0 H LYS A 76 -3.142 -1.235 -26.475 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.827 -2.840 -26.272 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.854 -4.135 -27.777 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.244 -3.159 -27.346 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.369 -2.834 -29.619 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.211 -1.562 -29.285 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.660 -2.601 -30.566 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.730 -4.017 -29.535 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.848 -4.708 -30.846 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.456 -3.430 -31.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.544 -5.540 -32.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.289 -4.451 -32.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.668 -5.690 -31.242 1.00 0.00 H new ATOM 1197 N THR A 77 -0.519 -0.206 -28.060 1.00 0.00 N ATOM 1198 CA THR A 77 0.411 0.591 -28.839 1.00 0.00 C ATOM 1199 C THR A 77 1.430 1.271 -27.922 1.00 0.00 C ATOM 1200 O THR A 77 2.528 1.618 -28.357 1.00 0.00 O ATOM 1201 CB THR A 77 -0.400 1.577 -29.680 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.686 2.647 -28.783 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.780 1.029 -30.057 1.00 0.00 C ATOM 0 H THR A 77 -1.344 0.298 -27.735 1.00 0.00 H new ATOM 0 HA THR A 77 0.995 -0.033 -29.516 1.00 0.00 H new ATOM 0 HB THR A 77 0.154 1.822 -30.586 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.550 2.488 -28.350 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.314 1.768 -30.654 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.662 0.113 -30.635 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.347 0.816 -29.151 1.00 0.00 H new ATOM 1211 N PHE A 78 1.031 1.439 -26.670 1.00 0.00 N ATOM 1212 CA PHE A 78 1.897 2.070 -25.688 1.00 0.00 C ATOM 1213 C PHE A 78 2.748 1.031 -24.958 1.00 0.00 C ATOM 1214 O PHE A 78 3.622 1.382 -24.168 1.00 0.00 O ATOM 1215 CB PHE A 78 0.987 2.769 -24.674 1.00 0.00 C ATOM 1216 CG PHE A 78 0.490 4.143 -25.128 1.00 0.00 C ATOM 1217 CD1 PHE A 78 -0.206 4.266 -26.288 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.747 5.243 -24.369 1.00 0.00 C ATOM 1219 CE1 PHE A 78 -0.667 5.542 -26.709 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.286 6.519 -24.790 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.412 6.641 -25.950 1.00 0.00 C ATOM 0 H PHE A 78 0.120 1.150 -26.313 1.00 0.00 H new ATOM 0 HA PHE A 78 2.571 2.770 -26.182 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.126 2.131 -24.473 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.527 2.882 -23.734 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.409 3.393 -26.891 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.301 5.146 -23.447 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.220 5.639 -27.632 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.490 7.392 -24.188 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.764 7.611 -26.269 1.00 0.00 H new ATOM 1231 N ILE A 79 2.463 -0.231 -25.250 1.00 0.00 N ATOM 1232 CA ILE A 79 3.194 -1.325 -24.631 1.00 0.00 C ATOM 1233 C ILE A 79 4.686 -1.168 -24.927 1.00 0.00 C ATOM 1234 O ILE A 79 5.092 -1.138 -26.088 1.00 0.00 O ATOM 1235 CB ILE A 79 2.616 -2.671 -25.073 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.440 -3.082 -24.185 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.704 -3.746 -25.118 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.232 -4.596 -24.216 1.00 0.00 C ATOM 0 H ILE A 79 1.737 -0.520 -25.906 1.00 0.00 H new ATOM 0 HA ILE A 79 3.080 -1.296 -23.547 1.00 0.00 H new ATOM 0 HB ILE A 79 2.230 -2.561 -26.086 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.623 -2.758 -23.161 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.533 -2.580 -24.521 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.267 -4.693 -25.435 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.479 -3.450 -25.824 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.142 -3.862 -24.127 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.390 -4.861 -23.576 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.025 -4.914 -25.238 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.132 -5.094 -23.856 1.00 0.00 H new ATOM 1250 N ILE A 80 5.462 -1.074 -23.858 1.00 0.00 N ATOM 1251 CA ILE A 80 6.901 -0.921 -23.989 1.00 0.00 C ATOM 1252 C ILE A 80 7.587 -2.231 -23.594 1.00 0.00 C ATOM 1253 O ILE A 80 8.717 -2.491 -23.999 1.00 0.00 O ATOM 1254 CB ILE A 80 7.387 0.291 -23.191 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.428 0.612 -22.044 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.608 1.497 -24.108 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.079 1.558 -21.033 1.00 0.00 C ATOM 0 H ILE A 80 5.122 -1.101 -22.897 1.00 0.00 H new ATOM 0 HA ILE A 80 7.169 -0.719 -25.026 1.00 0.00 H new ATOM 0 HB ILE A 80 8.350 0.043 -22.745 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.520 1.067 -22.441 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.131 -0.310 -21.545 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.953 2.345 -23.517 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.357 1.250 -24.860 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.671 1.756 -24.601 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.376 1.770 -20.228 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.973 1.090 -20.620 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.353 2.489 -21.530 1.00 0.00 H new ATOM 1269 N GLY A 81 6.872 -3.022 -22.807 1.00 0.00 N ATOM 1270 CA GLY A 81 7.396 -4.298 -22.352 1.00 0.00 C ATOM 1271 C GLY A 81 6.317 -5.111 -21.636 1.00 0.00 C ATOM 1272 O GLY A 81 5.127 -4.936 -21.896 1.00 0.00 O ATOM 0 H GLY A 81 5.933 -2.803 -22.473 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.777 -4.863 -23.203 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.237 -4.130 -21.679 1.00 0.00 H new ATOM 1276 N GLU A 82 6.770 -5.984 -20.748 1.00 0.00 N ATOM 1277 CA GLU A 82 5.857 -6.824 -19.993 1.00 0.00 C ATOM 1278 C GLU A 82 6.482 -7.214 -18.651 1.00 0.00 C ATOM 1279 O GLU A 82 7.702 -7.300 -18.532 1.00 0.00 O ATOM 1280 CB GLU A 82 5.465 -8.067 -20.795 1.00 0.00 C ATOM 1281 CG GLU A 82 5.588 -7.811 -22.298 1.00 0.00 C ATOM 1282 CD GLU A 82 5.310 -9.086 -23.096 1.00 0.00 C ATOM 1283 OE1 GLU A 82 6.162 -9.998 -23.023 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.253 -9.121 -23.762 1.00 0.00 O ATOM 0 H GLU A 82 7.757 -6.127 -20.535 1.00 0.00 H new ATOM 0 HA GLU A 82 4.948 -6.255 -19.798 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.104 -8.903 -20.512 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.441 -8.352 -20.554 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.887 -7.031 -22.596 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.589 -7.445 -22.527 1.00 0.00 H new ATOM 1291 N LEU A 83 5.614 -7.438 -17.673 1.00 0.00 N ATOM 1292 CA LEU A 83 6.065 -7.815 -16.345 1.00 0.00 C ATOM 1293 C LEU A 83 6.796 -9.157 -16.421 1.00 0.00 C ATOM 1294 O LEU A 83 6.212 -10.163 -16.820 1.00 0.00 O ATOM 1295 CB LEU A 83 4.895 -7.806 -15.360 1.00 0.00 C ATOM 1296 CG LEU A 83 5.254 -8.034 -13.889 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.770 -8.093 -13.700 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.605 -6.975 -12.996 1.00 0.00 C ATOM 0 H LEU A 83 4.602 -7.365 -17.775 1.00 0.00 H new ATOM 0 HA LEU A 83 6.779 -7.085 -15.963 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.383 -6.848 -15.444 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.185 -8.575 -15.663 1.00 0.00 H new ATOM 0 HG LEU A 83 4.853 -9.001 -13.584 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.999 -8.256 -12.647 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.179 -8.912 -14.291 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.214 -7.153 -14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.876 -7.160 -11.957 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.955 -5.986 -13.292 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.521 -7.024 -13.103 1.00 0.00 H new ATOM 1310 N HIS A 84 8.062 -9.127 -16.031 1.00 0.00 N ATOM 1311 CA HIS A 84 8.878 -10.329 -16.051 1.00 0.00 C ATOM 1312 C HIS A 84 8.289 -11.366 -15.092 1.00 0.00 C ATOM 1313 O HIS A 84 7.246 -11.130 -14.482 1.00 0.00 O ATOM 1314 CB HIS A 84 10.339 -9.998 -15.740 1.00 0.00 C ATOM 1315 CG HIS A 84 11.307 -10.413 -16.822 1.00 0.00 C ATOM 1316 ND1 HIS A 84 11.090 -10.999 -18.035 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.675 -10.239 -16.713 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 12.262 -11.170 -18.634 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 13.246 -10.700 -17.816 1.00 0.00 N flip ATOM 0 H HIS A 84 8.542 -8.290 -15.700 1.00 0.00 H new ATOM 0 HA HIS A 84 8.868 -10.763 -17.051 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.431 -8.924 -15.577 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.621 -10.487 -14.808 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.190 -9.801 -15.871 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.412 -11.609 -19.609 1.00 0.00 H new ATOM 0 HE2 HIS A 84 14.246 -10.703 -18.018 1.00 0.00 H new ATOM 1328 N PRO A 85 9.000 -12.520 -14.985 1.00 0.00 N ATOM 1329 CA PRO A 85 8.558 -13.594 -14.112 1.00 0.00 C ATOM 1330 C PRO A 85 8.827 -13.252 -12.644 1.00 0.00 C ATOM 1331 O PRO A 85 8.705 -14.110 -11.771 1.00 0.00 O ATOM 1332 CB PRO A 85 9.316 -14.823 -14.583 1.00 0.00 C ATOM 1333 CG PRO A 85 10.493 -14.302 -15.393 1.00 0.00 C ATOM 1334 CD PRO A 85 10.239 -12.833 -15.691 1.00 0.00 C ATOM 0 HA PRO A 85 7.482 -13.763 -14.165 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.658 -15.419 -13.737 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.679 -15.466 -15.190 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.423 -14.424 -14.837 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.599 -14.867 -16.319 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.062 -12.210 -15.341 1.00 0.00 H new ATOM 0 HD3 PRO A 85 10.139 -12.658 -16.762 1.00 0.00 H new ATOM 1342 N ASP A 86 9.187 -11.997 -12.418 1.00 0.00 N ATOM 1343 CA ASP A 86 9.473 -11.531 -11.072 1.00 0.00 C ATOM 1344 C ASP A 86 8.160 -11.350 -10.309 1.00 0.00 C ATOM 1345 O ASP A 86 8.133 -11.447 -9.084 1.00 0.00 O ATOM 1346 CB ASP A 86 10.195 -10.181 -11.098 1.00 0.00 C ATOM 1347 CG ASP A 86 9.823 -9.229 -9.961 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.149 -9.570 -8.804 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.223 -8.178 -10.275 1.00 0.00 O ATOM 0 H ASP A 86 9.287 -11.288 -13.145 1.00 0.00 H new ATOM 0 HA ASP A 86 10.109 -12.271 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.270 -10.360 -11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.982 -9.690 -12.048 1.00 0.00 H new ATOM 1354 N ASP A 87 7.104 -11.091 -11.066 1.00 0.00 N ATOM 1355 CA ASP A 87 5.792 -10.896 -10.476 1.00 0.00 C ATOM 1356 C ASP A 87 4.737 -10.875 -11.585 1.00 0.00 C ATOM 1357 O ASP A 87 4.152 -9.831 -11.870 1.00 0.00 O ATOM 1358 CB ASP A 87 5.716 -9.564 -9.727 1.00 0.00 C ATOM 1359 CG ASP A 87 6.406 -9.551 -8.360 1.00 0.00 C ATOM 1360 OD1 ASP A 87 7.615 -9.236 -8.338 1.00 0.00 O ATOM 1361 OD2 ASP A 87 5.707 -9.854 -7.369 1.00 0.00 O ATOM 0 H ASP A 87 7.131 -11.012 -12.083 1.00 0.00 H new ATOM 0 HA ASP A 87 5.612 -11.713 -9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.161 -8.788 -10.350 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.667 -9.300 -9.591 1.00 0.00 H new ATOM 1366 N ARG A 88 4.526 -12.039 -12.179 1.00 0.00 N ATOM 1367 CA ARG A 88 3.552 -12.168 -13.249 1.00 0.00 C ATOM 1368 C ARG A 88 2.150 -12.359 -12.671 1.00 0.00 C ATOM 1369 O ARG A 88 1.320 -11.452 -12.731 1.00 0.00 O ATOM 1370 CB ARG A 88 3.886 -13.352 -14.160 1.00 0.00 C ATOM 1371 CG ARG A 88 5.317 -13.245 -14.693 1.00 0.00 C ATOM 1372 CD ARG A 88 5.341 -12.564 -16.064 1.00 0.00 C ATOM 1373 NE ARG A 88 4.770 -13.466 -17.088 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.031 -13.374 -18.399 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.853 -12.418 -18.854 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.467 -14.236 -19.257 1.00 0.00 N ATOM 0 H ARG A 88 5.013 -12.903 -11.940 1.00 0.00 H new ATOM 0 HA ARG A 88 3.584 -11.251 -13.837 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.768 -14.285 -13.609 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.185 -13.384 -14.994 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.929 -12.679 -13.991 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.756 -14.240 -14.769 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.772 -11.635 -16.028 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.365 -12.300 -16.330 1.00 0.00 H new ATOM 0 HE ARG A 88 4.138 -14.204 -16.777 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.280 -11.760 -18.202 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.051 -12.349 -19.852 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.839 -14.962 -18.912 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.666 -14.166 -20.255 1.00 0.00 H new ATOM 1390 N SER A 89 1.925 -13.545 -12.125 1.00 0.00 N ATOM 1391 CA SER A 89 0.637 -13.867 -11.535 1.00 0.00 C ATOM 1392 C SER A 89 0.369 -12.959 -10.333 1.00 0.00 C ATOM 1393 O SER A 89 -0.743 -12.929 -9.810 1.00 0.00 O ATOM 1394 CB SER A 89 0.574 -15.337 -11.115 1.00 0.00 C ATOM 1395 OG SER A 89 -0.712 -15.905 -11.347 1.00 0.00 O ATOM 0 H SER A 89 2.614 -14.296 -12.079 1.00 0.00 H new ATOM 0 HA SER A 89 -0.134 -13.699 -12.287 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.325 -15.904 -11.666 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.822 -15.423 -10.057 1.00 0.00 H new ATOM 0 HG SER A 89 -0.710 -16.844 -11.067 1.00 0.00 H new ATOM 1401 N LYS A 90 1.408 -12.243 -9.931 1.00 0.00 N ATOM 1402 CA LYS A 90 1.300 -11.337 -8.800 1.00 0.00 C ATOM 1403 C LYS A 90 0.503 -10.100 -9.218 1.00 0.00 C ATOM 1404 O LYS A 90 0.051 -9.333 -8.369 1.00 0.00 O ATOM 1405 CB LYS A 90 2.685 -11.016 -8.236 1.00 0.00 C ATOM 1406 CG LYS A 90 3.007 -11.905 -7.032 1.00 0.00 C ATOM 1407 CD LYS A 90 2.433 -11.312 -5.744 1.00 0.00 C ATOM 1408 CE LYS A 90 1.807 -12.402 -4.871 1.00 0.00 C ATOM 1409 NZ LYS A 90 0.379 -12.108 -4.619 1.00 0.00 N ATOM 0 H LYS A 90 2.329 -12.272 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 90 0.752 -11.809 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.439 -11.159 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.727 -9.968 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.597 -12.902 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.087 -12.016 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.223 -10.805 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.682 -10.561 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.904 -13.370 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.343 -12.470 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.030 -12.857 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.294 -11.194 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.132 -12.066 -5.524 1.00 0.00 H new ATOM 1423 N ILE A 91 0.359 -9.943 -10.526 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.376 -8.811 -11.066 1.00 0.00 C ATOM 1425 C ILE A 91 -1.383 -9.311 -12.104 1.00 0.00 C ATOM 1426 O ILE A 91 -2.514 -8.832 -12.157 1.00 0.00 O ATOM 1427 CB ILE A 91 0.590 -7.754 -11.605 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.882 -7.985 -13.090 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.872 -7.706 -10.772 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.829 -6.914 -13.636 1.00 0.00 C ATOM 0 H ILE A 91 0.738 -10.580 -11.227 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.947 -8.317 -10.280 1.00 0.00 H new ATOM 0 HB ILE A 91 0.112 -6.779 -11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.325 -8.971 -13.228 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.051 -7.972 -13.654 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.541 -6.946 -11.177 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.626 -7.459 -9.739 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.364 -8.678 -10.805 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.020 -7.102 -14.693 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.373 -5.931 -13.519 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.770 -6.946 -13.086 1.00 0.00 H new ATOM 1442 N THR A 92 -0.935 -10.267 -12.903 1.00 0.00 N ATOM 1443 CA THR A 92 -1.782 -10.837 -13.937 1.00 0.00 C ATOM 1444 C THR A 92 -3.255 -10.741 -13.532 1.00 0.00 C ATOM 1445 O THR A 92 -3.613 -11.061 -12.398 1.00 0.00 O ATOM 1446 CB THR A 92 -1.316 -12.270 -14.195 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.648 -12.504 -15.560 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.144 -13.303 -13.428 1.00 0.00 C ATOM 0 H THR A 92 0.004 -10.662 -12.856 1.00 0.00 H new ATOM 0 HA THR A 92 -1.696 -10.280 -14.870 1.00 0.00 H new ATOM 0 HB THR A 92 -0.267 -12.365 -13.915 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.378 -13.412 -15.811 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.771 -14.304 -13.647 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.063 -13.112 -12.358 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.188 -13.230 -13.732 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.069 -10.299 -14.479 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.494 -10.158 -14.235 1.00 0.00 C ATOM 1458 C LYS A 93 -6.065 -11.500 -13.774 1.00 0.00 C ATOM 1459 O LYS A 93 -6.152 -12.444 -14.559 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.194 -9.582 -15.468 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.715 -9.655 -15.319 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.351 -10.364 -16.515 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.661 -11.046 -16.118 1.00 0.00 C ATOM 1464 NZ LYS A 93 -9.930 -12.206 -16.997 1.00 0.00 N ATOM 0 H LYS A 93 -3.769 -10.034 -15.417 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.674 -9.443 -13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.889 -8.546 -15.613 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.885 -10.133 -16.356 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.969 -10.185 -14.401 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.124 -8.648 -15.229 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.539 -9.643 -17.311 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.658 -11.105 -16.913 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.607 -11.374 -15.080 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.483 -10.334 -16.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.823 -12.657 -16.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.003 -11.885 -17.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.153 -12.893 -16.913 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.448 -11.545 -12.470 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.007 -12.757 -11.896 1.00 0.00 C ATOM 1480 C PRO A 94 -8.449 -12.970 -12.363 1.00 0.00 C ATOM 1481 O PRO A 94 -8.760 -13.984 -12.986 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.891 -12.569 -10.392 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.703 -11.077 -10.172 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.360 -10.448 -11.512 1.00 0.00 C ATOM 0 HA PRO A 94 -6.479 -13.656 -12.214 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.785 -12.929 -9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.048 -13.132 -9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.611 -10.634 -9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.907 -10.895 -9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.055 -9.647 -11.763 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.361 -10.012 -11.500 1.00 0.00 H new ATOM 1492 N SER A 95 -9.290 -11.998 -12.045 1.00 0.00 N ATOM 1493 CA SER A 95 -10.692 -12.066 -12.422 1.00 0.00 C ATOM 1494 C SER A 95 -11.449 -10.869 -11.846 1.00 0.00 C ATOM 1495 O SER A 95 -10.926 -10.149 -10.995 1.00 0.00 O ATOM 1496 CB SER A 95 -11.328 -13.375 -11.948 1.00 0.00 C ATOM 1497 OG SER A 95 -12.064 -14.016 -12.985 1.00 0.00 O ATOM 0 H SER A 95 -9.028 -11.158 -11.530 1.00 0.00 H new ATOM 0 HA SER A 95 -10.754 -12.037 -13.510 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.549 -14.047 -11.587 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.989 -13.173 -11.106 1.00 0.00 H new ATOM 0 HG SER A 95 -12.453 -14.848 -12.644 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.669 -10.691 -12.331 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.504 -9.593 -11.874 1.00 0.00 C ATOM 1505 C GLU A 96 -14.371 -10.040 -10.697 1.00 0.00 C ATOM 1506 O GLU A 96 -14.558 -11.236 -10.479 1.00 0.00 O ATOM 1507 CB GLU A 96 -14.365 -9.048 -13.016 1.00 0.00 C ATOM 1508 CG GLU A 96 -14.159 -7.541 -13.186 1.00 0.00 C ATOM 1509 CD GLU A 96 -15.211 -6.947 -14.125 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -15.004 -7.061 -15.354 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -16.198 -6.392 -13.595 1.00 0.00 O ATOM 0 H GLU A 96 -13.100 -11.289 -13.036 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.856 -8.785 -11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.111 -9.560 -13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.416 -9.255 -12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.215 -7.051 -12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.162 -7.349 -13.583 1.00 0.00 H new ATOM 1518 N SER A 97 -14.879 -9.055 -9.970 1.00 0.00 N ATOM 1519 CA SER A 97 -15.722 -9.332 -8.819 1.00 0.00 C ATOM 1520 C SER A 97 -17.097 -8.688 -9.011 1.00 0.00 C ATOM 1521 O SER A 97 -17.194 -7.550 -9.466 1.00 0.00 O ATOM 1522 CB SER A 97 -15.075 -8.829 -7.528 1.00 0.00 C ATOM 1523 OG SER A 97 -14.730 -7.449 -7.605 1.00 0.00 O ATOM 0 H SER A 97 -14.723 -8.064 -10.156 1.00 0.00 H new ATOM 0 HA SER A 97 -15.842 -10.412 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.760 -8.985 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.180 -9.415 -7.319 1.00 0.00 H new ATOM 0 HG SER A 97 -14.321 -7.166 -6.760 1.00 0.00 H new ATOM 1529 N ILE A 98 -18.125 -9.444 -8.656 1.00 0.00 N ATOM 1530 CA ILE A 98 -19.489 -8.961 -8.782 1.00 0.00 C ATOM 1531 C ILE A 98 -20.158 -8.964 -7.406 1.00 0.00 C ATOM 1532 O ILE A 98 -19.690 -9.634 -6.488 1.00 0.00 O ATOM 1533 CB ILE A 98 -20.247 -9.769 -9.837 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -20.271 -11.256 -9.475 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -19.670 -9.529 -11.233 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -21.409 -11.979 -10.200 1.00 0.00 C ATOM 0 H ILE A 98 -18.040 -10.389 -8.281 1.00 0.00 H new ATOM 0 HA ILE A 98 -19.497 -7.930 -9.136 1.00 0.00 H new ATOM 0 HB ILE A 98 -21.281 -9.424 -9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -19.318 -11.714 -9.740 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -20.391 -11.370 -8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -20.228 -10.116 -11.963 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -19.748 -8.471 -11.482 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -18.622 -9.829 -11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -21.403 -13.034 -9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -22.363 -11.535 -9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -21.272 -11.884 -11.277 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.240 -8.207 -7.308 1.00 0.00 N ATOM 1549 CA ILE A 99 -21.977 -8.115 -6.059 1.00 0.00 C ATOM 1550 C ILE A 99 -23.469 -8.317 -6.337 1.00 0.00 C ATOM 1551 O ILE A 99 -23.874 -8.472 -7.487 1.00 0.00 O ATOM 1552 CB ILE A 99 -21.657 -6.800 -5.345 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -21.993 -5.599 -6.230 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.203 -6.775 -4.870 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.976 -4.659 -5.529 1.00 0.00 C ATOM 0 H ILE A 99 -21.624 -7.652 -8.072 1.00 0.00 H new ATOM 0 HA ILE A 99 -21.670 -8.906 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 99 -22.287 -6.730 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -21.080 -5.058 -6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.422 -5.945 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.001 -5.830 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -20.032 -7.599 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -19.538 -6.878 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -23.198 -3.813 -6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -23.897 -5.197 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -22.534 -4.296 -4.601 1.00 0.00 H new ATOM 1567 N THR A 100 -24.244 -8.307 -5.262 1.00 0.00 N ATOM 1568 CA THR A 100 -25.681 -8.488 -5.375 1.00 0.00 C ATOM 1569 C THR A 100 -26.419 -7.388 -4.607 1.00 0.00 C ATOM 1570 O THR A 100 -25.972 -6.965 -3.542 1.00 0.00 O ATOM 1571 CB THR A 100 -26.020 -9.898 -4.891 1.00 0.00 C ATOM 1572 OG1 THR A 100 -25.518 -10.748 -5.919 1.00 0.00 O ATOM 1573 CG2 THR A 100 -27.525 -10.170 -4.886 1.00 0.00 C ATOM 0 H THR A 100 -23.904 -8.176 -4.309 1.00 0.00 H new ATOM 0 HA THR A 100 -26.011 -8.396 -6.410 1.00 0.00 H new ATOM 0 HB THR A 100 -25.622 -10.042 -3.887 1.00 0.00 H new ATOM 0 HG1 THR A 100 -25.694 -11.683 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 100 -27.710 -11.185 -4.534 1.00 0.00 H new ATOM 0 HG22 THR A 100 -28.021 -9.460 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 100 -27.918 -10.059 -5.897 1.00 0.00 H new ATOM 1581 N THR A 101 -27.534 -6.959 -5.178 1.00 0.00 N ATOM 1582 CA THR A 101 -28.338 -5.918 -4.560 1.00 0.00 C ATOM 1583 C THR A 101 -29.636 -5.711 -5.342 1.00 0.00 C ATOM 1584 O THR A 101 -29.616 -5.594 -6.567 1.00 0.00 O ATOM 1585 CB THR A 101 -27.480 -4.654 -4.462 1.00 0.00 C ATOM 1586 OG1 THR A 101 -28.304 -3.728 -3.761 1.00 0.00 O ATOM 1587 CG2 THR A 101 -27.251 -3.995 -5.824 1.00 0.00 C ATOM 0 H THR A 101 -27.900 -7.313 -6.062 1.00 0.00 H new ATOM 0 HA THR A 101 -28.644 -6.201 -3.553 1.00 0.00 H new ATOM 0 HB THR A 101 -26.518 -4.902 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.824 -2.881 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 101 -26.637 -3.103 -5.698 1.00 0.00 H new ATOM 0 HG22 THR A 101 -26.742 -4.695 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 101 -28.211 -3.716 -6.259 1.00 0.00 H new ATOM 1595 N ILE A 102 -30.735 -5.673 -4.603 1.00 0.00 N ATOM 1596 CA ILE A 102 -32.040 -5.483 -5.213 1.00 0.00 C ATOM 1597 C ILE A 102 -32.027 -4.202 -6.047 1.00 0.00 C ATOM 1598 O ILE A 102 -31.105 -3.394 -5.939 1.00 0.00 O ATOM 1599 CB ILE A 102 -33.138 -5.511 -4.147 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -32.983 -4.346 -3.169 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -33.171 -6.862 -3.430 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -33.610 -3.069 -3.732 1.00 0.00 C ATOM 0 H ILE A 102 -30.749 -5.771 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 102 -32.266 -6.304 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 102 -34.100 -5.387 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -33.455 -4.599 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -31.926 -4.177 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -33.960 -6.855 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -33.366 -7.653 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -32.210 -7.041 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -33.486 -2.256 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -33.120 -2.805 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -34.672 -3.234 -3.912 1.00 0.00 H new ATOM 1614 N ASP A 103 -33.060 -4.053 -6.864 1.00 0.00 N ATOM 1615 CA ASP A 103 -33.178 -2.884 -7.717 1.00 0.00 C ATOM 1616 C ASP A 103 -34.412 -3.033 -8.610 1.00 0.00 C ATOM 1617 O ASP A 103 -34.933 -4.134 -8.778 1.00 0.00 O ATOM 1618 CB ASP A 103 -31.954 -2.736 -8.623 1.00 0.00 C ATOM 1619 CG ASP A 103 -31.666 -3.939 -9.523 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -31.850 -5.073 -9.031 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -31.269 -3.698 -10.684 1.00 0.00 O ATOM 0 H ASP A 103 -33.823 -4.724 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 103 -33.260 -2.006 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -32.090 -1.856 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -31.080 -2.550 -7.999 1.00 0.00 H new