USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 774 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 77 HIS : no HE2:sc= 0.0437 K(o=0.11,f=-1.1) USER MOD Set 1.2: B 159 THR OG1 : rot 180:sc= 0.0693 USER MOD Set 2.1: A 30 THR OG1 : rot -150:sc= 0.517 USER MOD Set 2.2: A 44 LYS NZ :NH3+ -175:sc= -0.115 (180deg=-0.935) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 127:sc= -0.123 (180deg=-0.68) USER MOD Set 3.2: A 92 SER OG : rot 180:sc= -2.07! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.506 K(o=-0.51,f=-5.6!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -1.42 (180deg=-2.1!) USER MOD Single : A 17 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-6.7!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= -0.568 (180deg=-0.61) USER MOD Single : A 23 SER OG : rot 41:sc= 1.15 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.425 K(o=0.42,f=-4.6!) USER MOD Single : A 45 SER OG : rot -2:sc= 0.407 USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0528) USER MOD Single : A 58 MET CE :methyl 165:sc= -1.09 (180deg=-2.31) USER MOD Single : A 60 THR OG1 : rot 170:sc= 0.186 USER MOD Single : A 66 SER OG : rot 26:sc= 0.349 USER MOD Single : A 68 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.33) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot -56:sc= 0.196 USER MOD Single : A 75 HIS : no HE2:sc= -3.69! C(o=-3.7!,f=-6.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.056) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc=-0.00482 (180deg=-0.0651) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.392 F(o=-2.4!,f=-0.39) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -90:sc= 0.624 USER MOD Single : A 101 TYR OH : rot 15:sc= 0.051 USER MOD Single : B 160 GLN :FLIP amide:sc= -0.111 F(o=-0.65,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 5 110.877 12.244 -5.664 1.00 0.00 N ATOM 121 CA THR A 5 110.438 13.079 -4.605 1.00 0.00 C ATOM 122 C THR A 5 110.343 12.321 -3.330 1.00 0.00 C ATOM 123 O THR A 5 111.009 12.665 -2.340 1.00 0.00 O ATOM 124 CB THR A 5 109.228 14.011 -4.911 1.00 0.00 C ATOM 125 OG1 THR A 5 108.948 14.838 -3.768 1.00 0.00 O ATOM 126 CG2 THR A 5 107.963 13.263 -5.328 1.00 0.00 C ATOM 0 HA THR A 5 111.226 13.821 -4.478 1.00 0.00 H new ATOM 0 HB THR A 5 109.521 14.621 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.187 15.423 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.165 13.979 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 5 108.163 12.686 -6.231 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.658 12.590 -4.527 1.00 0.00 H new ATOM 134 N ARG A 6 109.624 11.255 -3.396 1.00 0.00 N ATOM 135 CA ARG A 6 109.333 10.350 -2.274 1.00 0.00 C ATOM 136 C ARG A 6 108.186 9.510 -2.696 1.00 0.00 C ATOM 137 O ARG A 6 108.076 8.354 -2.352 1.00 0.00 O ATOM 138 CB ARG A 6 108.974 11.150 -0.994 1.00 0.00 C ATOM 139 CG ARG A 6 107.835 12.117 -1.138 1.00 0.00 C ATOM 140 CD ARG A 6 107.945 13.195 -0.120 1.00 0.00 C ATOM 141 NE ARG A 6 107.864 12.705 1.263 1.00 0.00 N ATOM 142 CZ ARG A 6 108.345 13.369 2.319 1.00 0.00 C ATOM 143 NH1 ARG A 6 108.952 14.550 2.144 1.00 0.00 N ATOM 144 NH2 ARG A 6 108.221 12.859 3.542 1.00 0.00 N ATOM 0 H ARG A 6 109.188 10.951 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 6 110.204 9.740 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 6 108.730 10.443 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 6 109.857 11.701 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 6 107.840 12.550 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 6 106.886 11.593 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 6 108.891 13.718 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 6 107.151 13.923 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 6 107.414 11.805 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 6 109.046 14.941 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 6 109.320 15.058 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 6 107.758 11.960 3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 6 108.589 13.367 4.346 1.00 0.00 H new ATOM 158 N ASN A 7 107.390 10.129 -3.528 1.00 0.00 N ATOM 159 CA ASN A 7 106.141 9.610 -4.050 1.00 0.00 C ATOM 160 C ASN A 7 106.255 8.161 -4.534 1.00 0.00 C ATOM 161 O ASN A 7 106.832 7.885 -5.587 1.00 0.00 O ATOM 162 CB ASN A 7 105.728 10.468 -5.221 1.00 0.00 C ATOM 163 CG ASN A 7 104.268 10.470 -5.438 1.00 0.00 C ATOM 164 OD1 ASN A 7 103.709 9.635 -6.143 1.00 0.00 O ATOM 165 ND2 ASN A 7 103.653 11.424 -4.851 1.00 0.00 N ATOM 0 H ASN A 7 107.603 11.061 -3.883 1.00 0.00 H new ATOM 0 HA ASN A 7 105.410 9.631 -3.242 1.00 0.00 H new ATOM 0 HB2 ASN A 7 106.068 11.490 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 7 106.225 10.109 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 7 102.643 11.521 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 7 104.172 12.089 -4.277 1.00 0.00 H new ATOM 172 N PRO A 8 105.658 7.204 -3.805 1.00 0.00 N ATOM 173 CA PRO A 8 105.703 5.804 -4.202 1.00 0.00 C ATOM 174 C PRO A 8 105.026 5.603 -5.490 1.00 0.00 C ATOM 175 O PRO A 8 105.301 4.673 -6.229 1.00 0.00 O ATOM 176 CB PRO A 8 104.844 5.088 -3.215 1.00 0.00 C ATOM 177 CG PRO A 8 104.378 6.057 -2.202 1.00 0.00 C ATOM 178 CD PRO A 8 104.934 7.405 -2.533 1.00 0.00 C ATOM 0 HA PRO A 8 106.739 5.470 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 8 103.993 4.628 -3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.405 4.284 -2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.289 6.092 -2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.702 5.749 -1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.142 8.146 -2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.601 7.763 -1.749 1.00 0.00 H new ATOM 186 N SER A 9 104.107 6.457 -5.734 1.00 0.00 N ATOM 187 CA SER A 9 103.319 6.313 -6.826 1.00 0.00 C ATOM 188 C SER A 9 104.026 6.861 -8.102 1.00 0.00 C ATOM 189 O SER A 9 103.633 6.504 -9.223 1.00 0.00 O ATOM 190 CB SER A 9 101.964 6.935 -6.563 1.00 0.00 C ATOM 191 OG SER A 9 101.009 6.597 -7.562 1.00 0.00 O ATOM 0 H SER A 9 103.903 7.273 -5.157 1.00 0.00 H new ATOM 0 HA SER A 9 103.148 5.255 -7.022 1.00 0.00 H new ATOM 0 HB2 SER A 9 101.599 6.607 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 9 102.068 8.019 -6.515 1.00 0.00 H new ATOM 0 HG SER A 9 100.150 7.019 -7.350 1.00 0.00 H new ATOM 197 N GLU A 10 105.067 7.741 -7.945 1.00 0.00 N ATOM 198 CA GLU A 10 105.822 8.171 -9.115 1.00 0.00 C ATOM 199 C GLU A 10 106.720 7.017 -9.511 1.00 0.00 C ATOM 200 O GLU A 10 106.952 6.770 -10.689 1.00 0.00 O ATOM 201 CB GLU A 10 106.665 9.449 -8.844 1.00 0.00 C ATOM 202 CG GLU A 10 107.892 9.237 -7.962 1.00 0.00 C ATOM 203 CD GLU A 10 108.480 10.509 -7.449 1.00 0.00 C ATOM 204 OE1 GLU A 10 108.507 11.528 -8.210 1.00 0.00 O ATOM 205 OE2 GLU A 10 108.906 10.534 -6.268 1.00 0.00 O ATOM 0 H GLU A 10 105.373 8.136 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 10 105.131 8.434 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 10 106.990 9.861 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 10 106.024 10.196 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 107.618 8.605 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 10 108.650 8.698 -8.530 1.00 0.00 H new ATOM 212 N LEU A 11 107.182 6.296 -8.484 1.00 0.00 N ATOM 213 CA LEU A 11 108.019 5.141 -8.626 1.00 0.00 C ATOM 214 C LEU A 11 107.374 4.116 -9.523 1.00 0.00 C ATOM 215 O LEU A 11 106.185 3.812 -9.403 1.00 0.00 O ATOM 216 CB LEU A 11 108.329 4.541 -7.257 1.00 0.00 C ATOM 217 CG LEU A 11 109.158 5.412 -6.310 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.427 4.675 -5.016 1.00 0.00 C ATOM 219 CD2 LEU A 11 110.467 5.821 -6.968 1.00 0.00 C ATOM 0 H LEU A 11 106.968 6.521 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 11 108.955 5.451 -9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 11 107.386 4.303 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 11 108.857 3.599 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 11 108.589 6.314 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.018 5.307 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.481 4.428 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 11 109.977 3.758 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.043 6.440 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.041 4.930 -7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 11 110.257 6.387 -7.875 1.00 0.00 H new ATOM 231 N LYS A 12 108.155 3.625 -10.434 1.00 0.00 N ATOM 232 CA LYS A 12 107.689 2.663 -11.409 1.00 0.00 C ATOM 233 C LYS A 12 107.633 1.262 -10.834 1.00 0.00 C ATOM 234 O LYS A 12 108.157 0.989 -9.740 1.00 0.00 O ATOM 235 CB LYS A 12 108.586 2.629 -12.636 1.00 0.00 C ATOM 236 CG LYS A 12 109.992 2.220 -12.299 1.00 0.00 C ATOM 237 CD LYS A 12 110.673 1.538 -13.459 1.00 0.00 C ATOM 238 CE LYS A 12 112.085 1.134 -13.119 1.00 0.00 C ATOM 239 NZ LYS A 12 112.783 0.562 -14.284 1.00 0.00 N ATOM 0 H LYS A 12 109.139 3.875 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 12 106.687 2.986 -11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 12 108.173 1.934 -13.367 1.00 0.00 H new ATOM 0 HB3 LYS A 12 108.598 3.614 -13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 12 110.566 3.100 -12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 12 109.979 1.549 -11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 12 110.102 0.656 -13.748 1.00 0.00 H new ATOM 0 HD3 LYS A 12 110.683 2.207 -14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 12 112.635 2.002 -12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 12 112.070 0.404 -12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 113.751 0.296 -14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 112.272 -0.281 -14.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 112.819 1.267 -15.048 1.00 0.00 H new ATOM 253 N GLY A 13 107.052 0.382 -11.602 1.00 0.00 N ATOM 254 CA GLY A 13 106.940 -0.982 -11.233 1.00 0.00 C ATOM 255 C GLY A 13 105.605 -1.273 -10.636 1.00 0.00 C ATOM 256 O GLY A 13 104.567 -1.024 -11.251 1.00 0.00 O ATOM 0 H GLY A 13 106.642 0.605 -12.509 1.00 0.00 H new ATOM 0 HA2 GLY A 13 107.094 -1.612 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.723 -1.233 -10.518 1.00 0.00 H new ATOM 260 N LYS A 14 105.624 -1.783 -9.460 1.00 0.00 N ATOM 261 CA LYS A 14 104.446 -2.129 -8.733 1.00 0.00 C ATOM 262 C LYS A 14 104.578 -1.669 -7.321 1.00 0.00 C ATOM 263 O LYS A 14 105.637 -1.767 -6.722 1.00 0.00 O ATOM 264 CB LYS A 14 104.152 -3.632 -8.772 1.00 0.00 C ATOM 265 CG LYS A 14 105.340 -4.506 -8.468 1.00 0.00 C ATOM 266 CD LYS A 14 106.083 -4.980 -9.729 1.00 0.00 C ATOM 267 CE LYS A 14 105.375 -6.150 -10.436 1.00 0.00 C ATOM 268 NZ LYS A 14 104.045 -5.812 -11.026 1.00 0.00 N ATOM 0 H LYS A 14 106.487 -1.980 -8.954 1.00 0.00 H new ATOM 0 HA LYS A 14 103.605 -1.628 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 14 103.360 -3.854 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.770 -3.890 -9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 14 106.033 -3.957 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 14 105.007 -5.376 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 14 106.178 -4.146 -10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 107.094 -5.284 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 14 106.024 -6.524 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 14 105.244 -6.962 -9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 103.828 -6.477 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 103.312 -5.881 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 104.068 -4.843 -11.402 1.00 0.00 H new ATOM 282 N PHE A 15 103.522 -1.204 -6.804 1.00 0.00 N ATOM 283 CA PHE A 15 103.459 -0.665 -5.511 1.00 0.00 C ATOM 284 C PHE A 15 102.686 -1.655 -4.682 1.00 0.00 C ATOM 285 O PHE A 15 101.498 -1.884 -4.916 1.00 0.00 O ATOM 286 CB PHE A 15 102.740 0.682 -5.610 1.00 0.00 C ATOM 287 CG PHE A 15 102.635 1.502 -4.350 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.372 1.199 -3.218 1.00 0.00 C ATOM 289 CD2 PHE A 15 101.801 2.598 -4.326 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.273 1.980 -2.083 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.691 3.383 -3.199 1.00 0.00 C ATOM 292 CZ PHE A 15 102.428 3.076 -2.074 1.00 0.00 C ATOM 0 H PHE A 15 102.628 -1.186 -7.294 1.00 0.00 H new ATOM 0 HA PHE A 15 104.436 -0.497 -5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.251 1.283 -6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.731 0.500 -5.979 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.031 0.343 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.224 2.846 -5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.853 1.736 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.029 4.237 -3.196 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.346 3.689 -1.189 1.00 0.00 H new ATOM 302 N ILE A 16 103.355 -2.271 -3.782 1.00 0.00 N ATOM 303 CA ILE A 16 102.772 -3.277 -2.952 1.00 0.00 C ATOM 304 C ILE A 16 102.872 -2.889 -1.502 1.00 0.00 C ATOM 305 O ILE A 16 103.756 -2.120 -1.105 1.00 0.00 O ATOM 306 CB ILE A 16 103.340 -4.728 -3.179 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.896 -4.781 -3.231 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.722 -5.378 -4.411 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.532 -4.352 -4.573 1.00 0.00 C ATOM 0 H ILE A 16 104.341 -2.094 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 16 101.725 -3.328 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 16 103.048 -5.307 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 16 105.291 -4.142 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 16 105.215 -5.799 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 16 103.135 -6.379 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.642 -5.445 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.947 -4.776 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.617 -4.426 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 16 105.176 -5.005 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 16 105.252 -3.322 -4.796 1.00 0.00 H new ATOM 321 N HIS A 17 101.955 -3.367 -0.734 1.00 0.00 N ATOM 322 CA HIS A 17 101.897 -3.083 0.659 1.00 0.00 C ATOM 323 C HIS A 17 101.705 -4.391 1.404 1.00 0.00 C ATOM 324 O HIS A 17 100.599 -4.928 1.501 1.00 0.00 O ATOM 325 CB HIS A 17 100.751 -2.100 0.925 1.00 0.00 C ATOM 326 CG HIS A 17 100.548 -1.692 2.356 1.00 0.00 C ATOM 327 ND1 HIS A 17 100.787 -0.432 2.833 1.00 0.00 N ATOM 328 CD2 HIS A 17 100.072 -2.397 3.400 1.00 0.00 C ATOM 329 CE1 HIS A 17 100.461 -0.409 4.121 1.00 0.00 C ATOM 330 NE2 HIS A 17 100.017 -1.587 4.515 1.00 0.00 N ATOM 0 H HIS A 17 101.209 -3.979 -1.063 1.00 0.00 H new ATOM 0 HA HIS A 17 102.819 -2.618 1.007 1.00 0.00 H new ATOM 0 HB2 HIS A 17 100.926 -1.201 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 17 99.825 -2.546 0.561 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.779 -3.436 3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 17 100.548 0.458 4.759 1.00 0.00 H new ATOM 0 HE2 HIS A 17 99.699 -1.845 5.449 1.00 0.00 H new ATOM 338 N THR A 18 102.771 -4.883 1.911 1.00 0.00 N ATOM 339 CA THR A 18 102.768 -6.131 2.627 1.00 0.00 C ATOM 340 C THR A 18 103.113 -5.884 4.101 1.00 0.00 C ATOM 341 O THR A 18 103.852 -4.988 4.416 1.00 0.00 O ATOM 342 CB THR A 18 103.782 -7.136 1.976 1.00 0.00 C ATOM 343 OG1 THR A 18 103.699 -8.423 2.601 1.00 0.00 O ATOM 344 CG2 THR A 18 105.223 -6.632 2.057 1.00 0.00 C ATOM 0 H THR A 18 103.687 -4.438 1.848 1.00 0.00 H new ATOM 0 HA THR A 18 101.773 -6.573 2.572 1.00 0.00 H new ATOM 0 HB THR A 18 103.505 -7.220 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 18 104.338 -9.034 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.890 -7.360 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 18 105.305 -5.680 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.503 -6.497 3.102 1.00 0.00 H new ATOM 352 N LYS A 19 102.533 -6.643 4.982 1.00 0.00 N ATOM 353 CA LYS A 19 102.843 -6.548 6.396 1.00 0.00 C ATOM 354 C LYS A 19 104.069 -7.406 6.670 1.00 0.00 C ATOM 355 O LYS A 19 104.153 -8.542 6.181 1.00 0.00 O ATOM 356 CB LYS A 19 101.601 -7.031 7.209 1.00 0.00 C ATOM 357 CG LYS A 19 101.708 -7.147 8.754 1.00 0.00 C ATOM 358 CD LYS A 19 102.498 -8.387 9.203 1.00 0.00 C ATOM 359 CE LYS A 19 102.129 -8.825 10.599 1.00 0.00 C ATOM 360 NZ LYS A 19 100.705 -9.204 10.712 1.00 0.00 N ATOM 0 H LYS A 19 101.832 -7.347 4.752 1.00 0.00 H new ATOM 0 HA LYS A 19 103.065 -5.524 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.778 -6.351 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.318 -8.011 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.189 -6.252 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.706 -7.185 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.313 -9.205 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.565 -8.170 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.752 -9.672 10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.344 -8.018 11.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.631 -10.155 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.211 -8.521 11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.270 -9.203 9.768 1.00 0.00 H new ATOM 374 N LEU A 20 105.011 -6.882 7.421 1.00 0.00 N ATOM 375 CA LEU A 20 106.161 -7.644 7.794 1.00 0.00 C ATOM 376 C LEU A 20 106.171 -7.787 9.263 1.00 0.00 C ATOM 377 O LEU A 20 106.124 -6.799 10.013 1.00 0.00 O ATOM 378 CB LEU A 20 107.488 -7.075 7.272 1.00 0.00 C ATOM 379 CG LEU A 20 108.227 -7.969 6.262 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.379 -8.325 5.061 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.502 -7.323 5.825 1.00 0.00 C ATOM 0 H LEU A 20 104.995 -5.928 7.782 1.00 0.00 H new ATOM 0 HA LEU A 20 106.081 -8.621 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.293 -6.110 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.146 -6.891 8.121 1.00 0.00 H new ATOM 0 HG LEU A 20 108.453 -8.903 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.954 -8.957 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.489 -8.861 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 20 107.082 -7.414 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 20 110.011 -7.970 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.282 -6.365 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.144 -7.163 6.691 1.00 0.00 H new ATOM 393 N ARG A 21 106.130 -8.984 9.683 1.00 0.00 N ATOM 394 CA ARG A 21 106.136 -9.291 11.039 1.00 0.00 C ATOM 395 C ARG A 21 107.567 -9.241 11.518 1.00 0.00 C ATOM 396 O ARG A 21 108.372 -10.035 11.045 1.00 0.00 O ATOM 397 CB ARG A 21 105.616 -10.702 11.192 1.00 0.00 C ATOM 398 CG ARG A 21 105.418 -11.173 12.609 1.00 0.00 C ATOM 399 CD ARG A 21 105.322 -12.678 12.621 1.00 0.00 C ATOM 400 NE ARG A 21 104.250 -13.186 11.747 1.00 0.00 N ATOM 401 CZ ARG A 21 104.344 -14.302 11.003 1.00 0.00 C ATOM 402 NH1 ARG A 21 105.459 -15.031 11.024 1.00 0.00 N ATOM 403 NH2 ARG A 21 103.327 -14.685 10.233 1.00 0.00 N ATOM 0 H ARG A 21 106.090 -9.798 9.070 1.00 0.00 H new ATOM 0 HA ARG A 21 105.522 -8.595 11.610 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.664 -10.778 10.667 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.309 -11.381 10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.249 -10.844 13.234 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.512 -10.735 13.027 1.00 0.00 H new ATOM 0 HD2 ARG A 21 106.275 -13.101 12.304 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.146 -13.019 13.641 1.00 0.00 H new ATOM 0 HE ARG A 21 103.379 -12.656 11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 21 106.246 -14.743 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 21 105.526 -15.877 10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 21 102.471 -14.131 10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 21 103.404 -15.533 9.671 1.00 0.00 H new ATOM 417 N LYS A 22 107.903 -8.241 12.354 1.00 0.00 N ATOM 418 CA LYS A 22 109.173 -8.183 13.055 1.00 0.00 C ATOM 419 C LYS A 22 109.521 -9.520 13.543 1.00 0.00 C ATOM 420 O LYS A 22 108.925 -9.997 14.512 1.00 0.00 O ATOM 421 CB LYS A 22 109.067 -7.293 14.265 1.00 0.00 C ATOM 422 CG LYS A 22 109.549 -5.898 14.069 1.00 0.00 C ATOM 423 CD LYS A 22 108.828 -5.133 12.961 1.00 0.00 C ATOM 424 CE LYS A 22 107.441 -4.662 13.365 1.00 0.00 C ATOM 425 NZ LYS A 22 107.443 -3.502 14.314 1.00 0.00 N ATOM 0 H LYS A 22 107.288 -7.452 12.555 1.00 0.00 H new ATOM 0 HA LYS A 22 109.923 -7.800 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.024 -7.259 14.581 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.633 -7.745 15.080 1.00 0.00 H new ATOM 0 HG2 LYS A 22 109.435 -5.352 15.005 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.615 -5.923 13.843 1.00 0.00 H new ATOM 0 HD2 LYS A 22 109.429 -4.270 12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 22 108.746 -5.771 12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 22 106.888 -4.383 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 22 106.906 -5.493 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 106.465 -3.195 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 107.882 -3.789 15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 107.983 -2.716 13.900 1.00 0.00 H new ATOM 439 N SER A 23 110.434 -10.117 12.873 1.00 0.00 N ATOM 440 CA SER A 23 110.823 -11.418 13.162 1.00 0.00 C ATOM 441 C SER A 23 112.004 -11.406 14.138 1.00 0.00 C ATOM 442 O SER A 23 111.868 -10.848 15.220 1.00 0.00 O ATOM 443 CB SER A 23 111.016 -12.203 11.845 1.00 0.00 C ATOM 444 OG SER A 23 109.763 -12.383 11.194 1.00 0.00 O ATOM 0 H SER A 23 110.935 -9.693 12.092 1.00 0.00 H new ATOM 0 HA SER A 23 110.048 -11.968 13.695 1.00 0.00 H new ATOM 0 HB2 SER A 23 111.701 -11.666 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 23 111.469 -13.172 12.053 1.00 0.00 H new ATOM 0 HG SER A 23 109.234 -11.561 11.269 1.00 0.00 H new ATOM 450 N SER A 24 113.151 -11.899 13.774 1.00 0.00 N ATOM 451 CA SER A 24 114.242 -11.961 14.720 1.00 0.00 C ATOM 452 C SER A 24 114.957 -10.604 14.910 1.00 0.00 C ATOM 453 O SER A 24 115.994 -10.352 14.306 1.00 0.00 O ATOM 454 CB SER A 24 115.217 -13.048 14.319 1.00 0.00 C ATOM 455 OG SER A 24 114.559 -14.311 14.229 1.00 0.00 O ATOM 0 H SER A 24 113.361 -12.261 12.844 1.00 0.00 H new ATOM 0 HA SER A 24 113.813 -12.209 15.691 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.671 -12.800 13.359 1.00 0.00 H new ATOM 0 HB3 SER A 24 116.025 -13.105 15.048 1.00 0.00 H new ATOM 0 HG SER A 24 115.206 -14.999 13.967 1.00 0.00 H new ATOM 461 N ARG A 25 114.338 -9.723 15.723 1.00 0.00 N ATOM 462 CA ARG A 25 114.924 -8.440 16.125 1.00 0.00 C ATOM 463 C ARG A 25 115.144 -7.541 14.935 1.00 0.00 C ATOM 464 O ARG A 25 116.237 -6.996 14.712 1.00 0.00 O ATOM 465 CB ARG A 25 116.204 -8.638 16.961 1.00 0.00 C ATOM 466 CG ARG A 25 115.973 -8.658 18.470 1.00 0.00 C ATOM 467 CD ARG A 25 115.635 -7.265 18.960 1.00 0.00 C ATOM 468 NE ARG A 25 115.521 -7.167 20.414 1.00 0.00 N ATOM 469 CZ ARG A 25 115.165 -6.050 21.064 1.00 0.00 C ATOM 470 NH1 ARG A 25 114.740 -4.989 20.375 1.00 0.00 N ATOM 471 NH2 ARG A 25 115.196 -6.012 22.392 1.00 0.00 N ATOM 0 H ARG A 25 113.412 -9.889 16.118 1.00 0.00 H new ATOM 0 HA ARG A 25 114.208 -7.934 16.772 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.676 -9.575 16.665 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.906 -7.839 16.723 1.00 0.00 H new ATOM 0 HG2 ARG A 25 115.162 -9.345 18.713 1.00 0.00 H new ATOM 0 HG3 ARG A 25 116.865 -9.025 18.978 1.00 0.00 H new ATOM 0 HD2 ARG A 25 116.403 -6.572 18.617 1.00 0.00 H new ATOM 0 HD3 ARG A 25 114.695 -6.948 18.508 1.00 0.00 H new ATOM 0 HE ARG A 25 115.725 -7.999 20.968 1.00 0.00 H new ATOM 0 HH11 ARG A 25 114.687 -5.030 19.357 1.00 0.00 H new ATOM 0 HH12 ARG A 25 114.468 -4.137 20.866 1.00 0.00 H new ATOM 0 HH21 ARG A 25 115.491 -6.834 22.919 1.00 0.00 H new ATOM 0 HH22 ARG A 25 114.925 -5.161 22.884 1.00 0.00 H new ATOM 485 N GLY A 26 114.105 -7.399 14.185 1.00 0.00 N ATOM 486 CA GLY A 26 114.139 -6.635 13.002 1.00 0.00 C ATOM 487 C GLY A 26 113.380 -7.338 11.953 1.00 0.00 C ATOM 488 O GLY A 26 112.220 -7.732 12.167 1.00 0.00 O ATOM 0 H GLY A 26 113.198 -7.820 14.386 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.711 -5.648 13.179 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.170 -6.482 12.682 1.00 0.00 H new ATOM 492 N PHE A 27 114.011 -7.569 10.868 1.00 0.00 N ATOM 493 CA PHE A 27 113.379 -8.137 9.747 1.00 0.00 C ATOM 494 C PHE A 27 114.136 -9.356 9.228 1.00 0.00 C ATOM 495 O PHE A 27 113.826 -10.473 9.619 1.00 0.00 O ATOM 496 CB PHE A 27 113.234 -7.060 8.696 1.00 0.00 C ATOM 497 CG PHE A 27 112.240 -6.017 9.087 1.00 0.00 C ATOM 498 CD1 PHE A 27 110.883 -6.269 9.048 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.670 -4.799 9.540 1.00 0.00 C ATOM 500 CE1 PHE A 27 109.980 -5.313 9.460 1.00 0.00 C ATOM 501 CE2 PHE A 27 111.782 -3.847 9.941 1.00 0.00 C ATOM 502 CZ PHE A 27 110.435 -4.094 9.910 1.00 0.00 C ATOM 0 H PHE A 27 115.001 -7.364 10.732 1.00 0.00 H new ATOM 0 HA PHE A 27 112.391 -8.506 10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.202 -6.590 8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 27 112.929 -7.514 7.753 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.526 -7.224 8.691 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.729 -4.590 9.580 1.00 0.00 H new ATOM 0 HE1 PHE A 27 108.920 -5.519 9.430 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.143 -2.889 10.286 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.735 -3.338 10.236 1.00 0.00 H new ATOM 512 N GLY A 28 115.166 -9.162 8.463 1.00 0.00 N ATOM 513 CA GLY A 28 115.809 -10.290 7.812 1.00 0.00 C ATOM 514 C GLY A 28 116.022 -10.058 6.325 1.00 0.00 C ATOM 515 O GLY A 28 115.593 -10.846 5.485 1.00 0.00 O ATOM 0 H GLY A 28 115.584 -8.252 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.771 -10.481 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.200 -11.183 7.954 1.00 0.00 H new ATOM 519 N PHE A 29 116.610 -8.953 6.004 1.00 0.00 N ATOM 520 CA PHE A 29 117.008 -8.613 4.660 1.00 0.00 C ATOM 521 C PHE A 29 118.023 -7.506 4.723 1.00 0.00 C ATOM 522 O PHE A 29 118.000 -6.697 5.637 1.00 0.00 O ATOM 523 CB PHE A 29 115.818 -8.294 3.715 1.00 0.00 C ATOM 524 CG PHE A 29 114.813 -7.326 4.231 1.00 0.00 C ATOM 525 CD1 PHE A 29 113.726 -7.770 4.933 1.00 0.00 C ATOM 526 CD2 PHE A 29 114.943 -5.988 3.991 1.00 0.00 C ATOM 527 CE1 PHE A 29 112.783 -6.892 5.394 1.00 0.00 C ATOM 528 CE2 PHE A 29 113.999 -5.088 4.453 1.00 0.00 C ATOM 529 CZ PHE A 29 112.915 -5.545 5.157 1.00 0.00 C ATOM 0 H PHE A 29 116.839 -8.231 6.687 1.00 0.00 H new ATOM 0 HA PHE A 29 117.465 -9.492 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 29 116.218 -7.906 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 29 115.306 -9.227 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 29 113.611 -8.826 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 29 115.794 -5.627 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 29 111.931 -7.260 5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 29 114.115 -4.032 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.171 -4.852 5.522 1.00 0.00 H new ATOM 539 N THR A 30 118.946 -7.476 3.836 1.00 0.00 N ATOM 540 CA THR A 30 119.890 -6.427 3.878 1.00 0.00 C ATOM 541 C THR A 30 119.652 -5.512 2.712 1.00 0.00 C ATOM 542 O THR A 30 119.413 -5.965 1.586 1.00 0.00 O ATOM 543 CB THR A 30 121.338 -6.943 3.981 1.00 0.00 C ATOM 544 OG1 THR A 30 121.669 -7.781 2.861 1.00 0.00 O ATOM 545 CG2 THR A 30 121.497 -7.738 5.263 1.00 0.00 C ATOM 0 H THR A 30 119.067 -8.154 3.084 1.00 0.00 H new ATOM 0 HA THR A 30 119.751 -5.849 4.791 1.00 0.00 H new ATOM 0 HB THR A 30 122.010 -6.085 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 30 122.332 -8.448 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.521 -8.105 5.339 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.276 -7.098 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.809 -8.583 5.255 1.00 0.00 H new ATOM 553 N VAL A 31 119.693 -4.245 2.967 1.00 0.00 N ATOM 554 CA VAL A 31 119.247 -3.274 2.004 1.00 0.00 C ATOM 555 C VAL A 31 120.384 -2.338 1.552 1.00 0.00 C ATOM 556 O VAL A 31 121.473 -2.368 2.128 1.00 0.00 O ATOM 557 CB VAL A 31 118.067 -2.447 2.620 1.00 0.00 C ATOM 558 CG1 VAL A 31 116.965 -3.345 3.115 1.00 0.00 C ATOM 559 CG2 VAL A 31 118.531 -1.570 3.724 1.00 0.00 C ATOM 0 H VAL A 31 120.034 -3.848 3.843 1.00 0.00 H new ATOM 0 HA VAL A 31 118.906 -3.806 1.116 1.00 0.00 H new ATOM 0 HB VAL A 31 117.674 -1.819 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 31 116.163 -2.739 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 31 116.576 -3.935 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 31 117.357 -4.012 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 31 117.685 -1.013 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 31 118.971 -2.180 4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 31 119.278 -0.873 3.345 1.00 0.00 H new ATOM 569 N VAL A 32 120.110 -1.573 0.491 1.00 0.00 N ATOM 570 CA VAL A 32 120.969 -0.525 -0.039 1.00 0.00 C ATOM 571 C VAL A 32 120.188 0.756 -0.168 1.00 0.00 C ATOM 572 O VAL A 32 119.069 0.771 -0.654 1.00 0.00 O ATOM 573 CB VAL A 32 121.642 -0.846 -1.419 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.760 -1.831 -1.249 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.627 -1.358 -2.459 1.00 0.00 C ATOM 0 H VAL A 32 119.245 -1.676 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 32 121.783 -0.436 0.681 1.00 0.00 H new ATOM 0 HB VAL A 32 122.051 0.090 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 32 123.212 -2.039 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.513 -1.415 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.369 -2.756 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 32 121.141 -1.566 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 32 120.159 -2.271 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 32 119.862 -0.599 -2.625 1.00 0.00 H new ATOM 585 N GLY A 33 120.761 1.798 0.286 1.00 0.00 N ATOM 586 CA GLY A 33 120.159 3.078 0.191 1.00 0.00 C ATOM 587 C GLY A 33 119.848 3.649 1.542 1.00 0.00 C ATOM 588 O GLY A 33 120.708 3.581 2.481 1.00 0.00 O ATOM 0 H GLY A 33 121.674 1.794 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.825 3.754 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.241 3.006 -0.393 1.00 0.00 H new ATOM 592 N GLY A 34 118.620 4.211 1.622 1.00 0.00 N ATOM 593 CA GLY A 34 118.056 4.887 2.795 1.00 0.00 C ATOM 594 C GLY A 34 119.071 5.680 3.485 1.00 0.00 C ATOM 595 O GLY A 34 119.288 5.584 4.674 1.00 0.00 O ATOM 0 H GLY A 34 117.974 4.201 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.234 5.533 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.641 4.148 3.480 1.00 0.00 H new ATOM 599 N ASP A 35 119.703 6.446 2.724 1.00 0.00 N ATOM 600 CA ASP A 35 120.819 7.160 3.180 1.00 0.00 C ATOM 601 C ASP A 35 120.427 8.513 3.589 1.00 0.00 C ATOM 602 O ASP A 35 120.905 9.040 4.601 1.00 0.00 O ATOM 603 CB ASP A 35 121.882 7.161 2.102 1.00 0.00 C ATOM 604 CG ASP A 35 123.216 7.673 2.605 1.00 0.00 C ATOM 605 OD1 ASP A 35 123.518 7.521 3.794 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.000 8.201 1.800 1.00 0.00 O ATOM 0 H ASP A 35 119.465 6.607 1.745 1.00 0.00 H new ATOM 0 HA ASP A 35 121.240 6.679 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.006 6.149 1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.550 7.780 1.269 1.00 0.00 H new ATOM 611 N GLU A 36 119.498 9.053 2.869 1.00 0.00 N ATOM 612 CA GLU A 36 119.124 10.402 3.049 1.00 0.00 C ATOM 613 C GLU A 36 117.765 10.621 2.506 1.00 0.00 C ATOM 614 O GLU A 36 117.218 9.730 1.874 1.00 0.00 O ATOM 615 CB GLU A 36 120.210 11.286 2.416 1.00 0.00 C ATOM 616 CG GLU A 36 120.698 10.794 1.089 1.00 0.00 C ATOM 617 CD GLU A 36 121.765 11.697 0.542 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.620 12.932 0.639 1.00 0.00 O ATOM 619 OE2 GLU A 36 122.782 11.205 0.011 1.00 0.00 O ATOM 0 H GLU A 36 118.981 8.562 2.140 1.00 0.00 H new ATOM 0 HA GLU A 36 119.062 10.672 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.818 12.296 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.055 11.352 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 36 121.091 9.783 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 36 119.865 10.742 0.387 1.00 0.00 H new ATOM 626 N PRO A 37 117.186 11.798 2.696 1.00 0.00 N ATOM 627 CA PRO A 37 115.859 12.130 2.168 1.00 0.00 C ATOM 628 C PRO A 37 115.912 12.172 0.650 1.00 0.00 C ATOM 629 O PRO A 37 114.900 12.138 -0.040 1.00 0.00 O ATOM 630 CB PRO A 37 115.636 13.525 2.754 1.00 0.00 C ATOM 631 CG PRO A 37 116.510 13.549 3.941 1.00 0.00 C ATOM 632 CD PRO A 37 117.736 12.928 3.435 1.00 0.00 C ATOM 0 HA PRO A 37 115.070 11.422 2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 37 115.905 14.306 2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.592 13.684 3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 37 116.685 14.564 4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.083 12.988 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.307 13.601 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.401 12.612 4.239 1.00 0.00 H new ATOM 640 N ASP A 38 117.128 12.198 0.178 1.00 0.00 N ATOM 641 CA ASP A 38 117.475 12.250 -1.197 1.00 0.00 C ATOM 642 C ASP A 38 117.746 10.820 -1.785 1.00 0.00 C ATOM 643 O ASP A 38 117.768 10.639 -3.007 1.00 0.00 O ATOM 644 CB ASP A 38 118.688 13.183 -1.316 1.00 0.00 C ATOM 645 CG ASP A 38 119.280 13.303 -2.711 1.00 0.00 C ATOM 646 OD1 ASP A 38 118.834 14.173 -3.506 1.00 0.00 O ATOM 647 OD2 ASP A 38 120.206 12.559 -3.043 1.00 0.00 O ATOM 0 H ASP A 38 117.945 12.182 0.788 1.00 0.00 H new ATOM 0 HA ASP A 38 116.649 12.641 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 38 118.396 14.177 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 38 119.465 12.830 -0.638 1.00 0.00 H new ATOM 652 N GLU A 39 117.921 9.798 -0.920 1.00 0.00 N ATOM 653 CA GLU A 39 118.119 8.414 -1.405 1.00 0.00 C ATOM 654 C GLU A 39 117.345 7.402 -0.540 1.00 0.00 C ATOM 655 O GLU A 39 117.604 7.278 0.682 1.00 0.00 O ATOM 656 CB GLU A 39 119.618 8.028 -1.550 1.00 0.00 C ATOM 657 CG GLU A 39 119.828 6.641 -2.190 1.00 0.00 C ATOM 658 CD GLU A 39 121.260 6.367 -2.638 1.00 0.00 C ATOM 659 OE1 GLU A 39 121.680 6.899 -3.692 1.00 0.00 O ATOM 660 OE2 GLU A 39 121.971 5.588 -1.997 1.00 0.00 O ATOM 0 H GLU A 39 117.930 9.899 0.095 1.00 0.00 H new ATOM 0 HA GLU A 39 117.704 8.376 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 39 120.124 8.781 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 39 120.087 8.042 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 39 119.531 5.875 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.166 6.547 -3.051 1.00 0.00 H new ATOM 667 N PHE A 40 116.429 6.675 -1.227 1.00 0.00 N ATOM 668 CA PHE A 40 115.453 5.674 -0.671 1.00 0.00 C ATOM 669 C PHE A 40 116.105 4.351 -0.420 1.00 0.00 C ATOM 670 O PHE A 40 117.231 4.094 -0.860 1.00 0.00 O ATOM 671 CB PHE A 40 114.276 5.394 -1.617 1.00 0.00 C ATOM 672 CG PHE A 40 113.521 6.561 -2.157 1.00 0.00 C ATOM 673 CD1 PHE A 40 113.149 7.622 -1.353 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.173 6.581 -3.500 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.442 8.683 -1.879 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.469 7.634 -4.029 1.00 0.00 C ATOM 677 CZ PHE A 40 112.101 8.686 -3.224 1.00 0.00 C ATOM 0 H PHE A 40 116.337 6.768 -2.239 1.00 0.00 H new ATOM 0 HA PHE A 40 115.094 6.127 0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.656 4.821 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.569 4.753 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.414 7.620 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.460 5.758 -4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.155 9.509 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.205 7.636 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.546 9.515 -3.639 1.00 0.00 H new ATOM 687 N LEU A 41 115.403 3.519 0.326 1.00 0.00 N ATOM 688 CA LEU A 41 115.901 2.243 0.704 1.00 0.00 C ATOM 689 C LEU A 41 115.530 1.243 -0.367 1.00 0.00 C ATOM 690 O LEU A 41 114.512 1.388 -1.004 1.00 0.00 O ATOM 691 CB LEU A 41 115.278 1.769 1.978 1.00 0.00 C ATOM 692 CG LEU A 41 115.467 2.522 3.292 1.00 0.00 C ATOM 693 CD1 LEU A 41 114.802 3.896 3.298 1.00 0.00 C ATOM 694 CD2 LEU A 41 114.894 1.674 4.386 1.00 0.00 C ATOM 0 H LEU A 41 114.469 3.726 0.680 1.00 0.00 H new ATOM 0 HA LEU A 41 116.980 2.329 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.204 1.708 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.632 0.752 2.143 1.00 0.00 H new ATOM 0 HG LEU A 41 116.532 2.702 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 114.973 4.379 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.227 4.509 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 41 113.730 3.782 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 41 115.013 2.184 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 41 113.835 1.502 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 41 115.417 0.718 4.417 1.00 0.00 H new ATOM 706 N GLN A 42 116.359 0.289 -0.599 1.00 0.00 N ATOM 707 CA GLN A 42 116.093 -0.754 -1.554 1.00 0.00 C ATOM 708 C GLN A 42 116.645 -2.038 -0.973 1.00 0.00 C ATOM 709 O GLN A 42 117.517 -1.980 -0.179 1.00 0.00 O ATOM 710 CB GLN A 42 116.800 -0.410 -2.837 1.00 0.00 C ATOM 711 CG GLN A 42 116.546 -1.339 -3.989 1.00 0.00 C ATOM 712 CD GLN A 42 117.569 -1.142 -5.088 1.00 0.00 C ATOM 713 OE1 GLN A 42 118.694 -0.731 -4.834 1.00 0.00 O ATOM 714 NE2 GLN A 42 117.228 -1.447 -6.289 1.00 0.00 N ATOM 0 H GLN A 42 117.260 0.200 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 42 115.028 -0.864 -1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.506 0.597 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.872 -0.385 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.577 -2.371 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.545 -1.166 -4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 42 116.286 -1.788 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.899 -1.348 -7.050 1.00 0.00 H new ATOM 723 N ILE A 43 116.135 -3.166 -1.351 1.00 0.00 N ATOM 724 CA ILE A 43 116.603 -4.452 -0.765 1.00 0.00 C ATOM 725 C ILE A 43 117.708 -5.030 -1.648 1.00 0.00 C ATOM 726 O ILE A 43 117.471 -5.230 -2.835 1.00 0.00 O ATOM 727 CB ILE A 43 115.474 -5.528 -0.741 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.149 -4.957 -0.241 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.891 -6.752 0.087 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.215 -4.340 1.111 1.00 0.00 C ATOM 0 H ILE A 43 115.401 -3.259 -2.053 1.00 0.00 H new ATOM 0 HA ILE A 43 116.937 -4.235 0.250 1.00 0.00 H new ATOM 0 HB ILE A 43 115.320 -5.850 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.799 -4.208 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.406 -5.755 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 43 115.084 -7.485 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.786 -7.197 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.099 -6.444 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.231 -3.961 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.532 -5.088 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 43 114.931 -3.518 1.101 1.00 0.00 H new ATOM 742 N LYS A 44 118.876 -5.363 -1.072 1.00 0.00 N ATOM 743 CA LYS A 44 119.982 -5.883 -1.883 1.00 0.00 C ATOM 744 C LYS A 44 120.189 -7.374 -1.716 1.00 0.00 C ATOM 745 O LYS A 44 120.793 -8.010 -2.577 1.00 0.00 O ATOM 746 CB LYS A 44 121.303 -5.078 -1.715 1.00 0.00 C ATOM 747 CG LYS A 44 122.096 -5.171 -0.369 1.00 0.00 C ATOM 748 CD LYS A 44 122.855 -6.478 -0.216 1.00 0.00 C ATOM 749 CE LYS A 44 124.061 -6.345 0.709 1.00 0.00 C ATOM 750 NZ LYS A 44 123.699 -5.995 2.089 1.00 0.00 N ATOM 0 H LYS A 44 119.073 -5.283 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 44 119.672 -5.732 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.978 -5.387 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.069 -4.027 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 44 122.799 -4.340 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.401 -5.061 0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 44 122.183 -7.242 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.188 -6.819 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 44 124.613 -7.285 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 44 124.732 -5.583 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 124.563 -5.837 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 123.124 -5.128 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 123.153 -6.772 2.512 1.00 0.00 H new ATOM 764 N SER A 45 119.709 -7.931 -0.623 1.00 0.00 N ATOM 765 CA SER A 45 119.762 -9.365 -0.400 1.00 0.00 C ATOM 766 C SER A 45 118.695 -9.771 0.595 1.00 0.00 C ATOM 767 O SER A 45 118.567 -9.166 1.664 1.00 0.00 O ATOM 768 CB SER A 45 121.135 -9.817 0.129 1.00 0.00 C ATOM 769 OG SER A 45 122.201 -9.506 -0.771 1.00 0.00 O ATOM 0 H SER A 45 119.272 -7.406 0.135 1.00 0.00 H new ATOM 0 HA SER A 45 119.591 -9.848 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 45 121.325 -9.339 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 45 121.116 -10.892 0.306 1.00 0.00 H new ATOM 0 HG SER A 45 121.837 -9.081 -1.575 1.00 0.00 H new ATOM 775 N LEU A 46 117.921 -10.741 0.226 1.00 0.00 N ATOM 776 CA LEU A 46 116.952 -11.321 1.055 1.00 0.00 C ATOM 777 C LEU A 46 117.629 -12.295 1.988 1.00 0.00 C ATOM 778 O LEU A 46 118.345 -13.206 1.542 1.00 0.00 O ATOM 779 CB LEU A 46 115.926 -12.040 0.178 1.00 0.00 C ATOM 780 CG LEU A 46 114.882 -12.880 0.888 1.00 0.00 C ATOM 781 CD1 LEU A 46 114.141 -12.047 1.889 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.924 -13.470 -0.119 1.00 0.00 C ATOM 0 H LEU A 46 117.961 -11.158 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 46 116.443 -10.561 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 46 115.408 -11.291 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 46 116.466 -12.685 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 46 115.380 -13.693 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 46 113.394 -12.661 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.842 -11.653 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.647 -11.220 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 46 113.177 -14.072 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 46 113.428 -12.666 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.474 -14.098 -0.820 1.00 0.00 H new ATOM 794 N VAL A 47 117.450 -12.082 3.253 1.00 0.00 N ATOM 795 CA VAL A 47 117.968 -12.950 4.241 1.00 0.00 C ATOM 796 C VAL A 47 116.861 -13.934 4.606 1.00 0.00 C ATOM 797 O VAL A 47 115.818 -13.547 5.131 1.00 0.00 O ATOM 798 CB VAL A 47 118.435 -12.161 5.498 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.941 -13.095 6.561 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.508 -11.132 5.143 1.00 0.00 C ATOM 0 H VAL A 47 116.931 -11.287 3.625 1.00 0.00 H new ATOM 0 HA VAL A 47 118.842 -13.476 3.857 1.00 0.00 H new ATOM 0 HB VAL A 47 117.569 -11.627 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.261 -12.519 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.144 -13.779 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.785 -13.665 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.812 -10.598 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.371 -11.640 4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 47 119.107 -10.423 4.419 1.00 0.00 H new ATOM 810 N LEU A 48 117.050 -15.174 4.256 1.00 0.00 N ATOM 811 CA LEU A 48 116.076 -16.195 4.551 1.00 0.00 C ATOM 812 C LEU A 48 115.889 -16.342 6.021 1.00 0.00 C ATOM 813 O LEU A 48 116.862 -16.176 6.795 1.00 0.00 O ATOM 814 CB LEU A 48 116.442 -17.495 3.902 1.00 0.00 C ATOM 815 CG LEU A 48 116.564 -17.430 2.378 1.00 0.00 C ATOM 816 CD1 LEU A 48 116.900 -18.787 1.814 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.284 -16.873 1.737 1.00 0.00 C ATOM 0 H LEU A 48 117.877 -15.508 3.761 1.00 0.00 H new ATOM 0 HA LEU A 48 115.120 -15.884 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 48 117.390 -17.839 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 48 115.691 -18.241 4.162 1.00 0.00 H new ATOM 0 HG LEU A 48 117.378 -16.746 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 48 116.982 -18.720 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 48 117.848 -19.129 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 48 116.113 -19.495 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 115.404 -16.840 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 48 114.441 -17.516 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.097 -15.867 2.112 1.00 0.00 H new ATOM 829 N ASP A 49 114.634 -16.646 6.390 1.00 0.00 N ATOM 830 CA ASP A 49 114.128 -16.682 7.767 1.00 0.00 C ATOM 831 C ASP A 49 113.679 -15.272 8.174 1.00 0.00 C ATOM 832 O ASP A 49 113.234 -15.012 9.283 1.00 0.00 O ATOM 833 CB ASP A 49 115.126 -17.331 8.739 1.00 0.00 C ATOM 834 CG ASP A 49 114.593 -17.518 10.148 1.00 0.00 C ATOM 835 OD1 ASP A 49 113.872 -18.506 10.393 1.00 0.00 O ATOM 836 OD2 ASP A 49 114.895 -16.689 11.040 1.00 0.00 O ATOM 0 H ASP A 49 113.916 -16.883 5.706 1.00 0.00 H new ATOM 0 HA ASP A 49 113.254 -17.331 7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.422 -18.302 8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.026 -16.717 8.782 1.00 0.00 H new ATOM 841 N GLY A 50 113.779 -14.378 7.214 1.00 0.00 N ATOM 842 CA GLY A 50 113.292 -13.035 7.340 1.00 0.00 C ATOM 843 C GLY A 50 111.844 -12.980 6.985 1.00 0.00 C ATOM 844 O GLY A 50 111.417 -13.795 6.209 1.00 0.00 O ATOM 0 H GLY A 50 114.210 -14.575 6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.438 -12.681 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 50 113.860 -12.371 6.688 1.00 0.00 H new ATOM 848 N PRO A 51 111.070 -11.965 7.389 1.00 0.00 N ATOM 849 CA PRO A 51 109.647 -12.007 7.207 1.00 0.00 C ATOM 850 C PRO A 51 109.289 -11.815 5.731 1.00 0.00 C ATOM 851 O PRO A 51 108.279 -12.303 5.248 1.00 0.00 O ATOM 852 CB PRO A 51 109.127 -10.946 8.171 1.00 0.00 C ATOM 853 CG PRO A 51 110.268 -10.014 8.427 1.00 0.00 C ATOM 854 CD PRO A 51 111.498 -10.626 7.819 1.00 0.00 C ATOM 0 HA PRO A 51 109.178 -12.964 7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.279 -10.413 7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.781 -11.401 9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.070 -9.036 7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.405 -9.861 9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.860 -10.036 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.312 -10.683 8.542 1.00 0.00 H new ATOM 862 N ALA A 52 110.195 -11.137 5.025 1.00 0.00 N ATOM 863 CA ALA A 52 110.139 -10.949 3.592 1.00 0.00 C ATOM 864 C ALA A 52 110.198 -12.319 2.914 1.00 0.00 C ATOM 865 O ALA A 52 109.388 -12.640 2.047 1.00 0.00 O ATOM 866 CB ALA A 52 111.348 -10.118 3.164 1.00 0.00 C ATOM 0 H ALA A 52 111.007 -10.695 5.455 1.00 0.00 H new ATOM 0 HA ALA A 52 109.219 -10.438 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.322 -9.966 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.322 -9.151 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.264 -10.643 3.434 1.00 0.00 H new ATOM 872 N ALA A 53 111.130 -13.131 3.392 1.00 0.00 N ATOM 873 CA ALA A 53 111.386 -14.475 2.891 1.00 0.00 C ATOM 874 C ALA A 53 110.213 -15.367 3.159 1.00 0.00 C ATOM 875 O ALA A 53 109.763 -16.135 2.310 1.00 0.00 O ATOM 876 CB ALA A 53 112.590 -15.053 3.624 1.00 0.00 C ATOM 0 H ALA A 53 111.746 -12.866 4.160 1.00 0.00 H new ATOM 0 HA ALA A 53 111.566 -14.419 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 53 112.791 -16.059 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.461 -14.422 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.381 -15.092 4.693 1.00 0.00 H new ATOM 882 N LEU A 54 109.743 -15.246 4.343 1.00 0.00 N ATOM 883 CA LEU A 54 108.735 -16.059 4.888 1.00 0.00 C ATOM 884 C LEU A 54 107.370 -15.821 4.334 1.00 0.00 C ATOM 885 O LEU A 54 106.607 -16.764 4.105 1.00 0.00 O ATOM 886 CB LEU A 54 108.802 -15.877 6.300 1.00 0.00 C ATOM 887 CG LEU A 54 110.178 -16.263 6.800 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.199 -16.003 8.150 1.00 0.00 C ATOM 889 CD2 LEU A 54 110.513 -17.721 6.533 1.00 0.00 C ATOM 0 H LEU A 54 110.074 -14.533 4.993 1.00 0.00 H new ATOM 0 HA LEU A 54 108.915 -17.097 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.591 -14.838 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.042 -16.485 6.791 1.00 0.00 H new ATOM 0 HG LEU A 54 110.933 -15.685 6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.175 -16.267 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.010 -14.943 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.428 -16.593 8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.511 -17.940 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.785 -18.359 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.483 -17.911 5.460 1.00 0.00 H new ATOM 901 N ASP A 55 107.036 -14.565 4.114 1.00 0.00 N ATOM 902 CA ASP A 55 105.767 -14.238 3.474 1.00 0.00 C ATOM 903 C ASP A 55 105.917 -14.558 1.998 1.00 0.00 C ATOM 904 O ASP A 55 104.953 -14.858 1.277 1.00 0.00 O ATOM 905 CB ASP A 55 105.422 -12.764 3.671 1.00 0.00 C ATOM 906 CG ASP A 55 103.971 -12.474 3.372 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.142 -12.569 4.304 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.629 -12.168 2.217 1.00 0.00 O ATOM 0 H ASP A 55 107.612 -13.761 4.363 1.00 0.00 H new ATOM 0 HA ASP A 55 104.956 -14.817 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.645 -12.474 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 55 106.053 -12.155 3.024 1.00 0.00 H new ATOM 913 N GLY A 56 107.180 -14.526 1.578 1.00 0.00 N ATOM 914 CA GLY A 56 107.587 -14.920 0.245 1.00 0.00 C ATOM 915 C GLY A 56 107.114 -14.041 -0.853 1.00 0.00 C ATOM 916 O GLY A 56 107.185 -14.417 -2.028 1.00 0.00 O ATOM 0 H GLY A 56 107.954 -14.220 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.676 -14.958 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 56 107.227 -15.932 0.058 1.00 0.00 H new ATOM 920 N LYS A 57 106.669 -12.885 -0.520 1.00 0.00 N ATOM 921 CA LYS A 57 106.111 -12.024 -1.505 1.00 0.00 C ATOM 922 C LYS A 57 106.834 -10.663 -1.479 1.00 0.00 C ATOM 923 O LYS A 57 106.332 -9.631 -1.931 1.00 0.00 O ATOM 924 CB LYS A 57 104.619 -11.924 -1.238 1.00 0.00 C ATOM 925 CG LYS A 57 103.796 -11.250 -2.326 1.00 0.00 C ATOM 926 CD LYS A 57 103.793 -12.097 -3.597 1.00 0.00 C ATOM 927 CE LYS A 57 103.007 -11.447 -4.719 1.00 0.00 C ATOM 928 NZ LYS A 57 103.640 -10.204 -5.207 1.00 0.00 N ATOM 0 H LYS A 57 106.679 -12.510 0.428 1.00 0.00 H new ATOM 0 HA LYS A 57 106.249 -12.415 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.228 -12.930 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.471 -11.378 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 57 102.774 -11.102 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.205 -10.263 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 57 104.820 -12.262 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 103.367 -13.076 -3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 57 102.911 -12.151 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.998 -11.225 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 103.132 -9.863 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 103.602 -9.479 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 104.632 -10.394 -5.455 1.00 0.00 H new ATOM 942 N MET A 58 108.018 -10.704 -0.961 1.00 0.00 N ATOM 943 CA MET A 58 108.921 -9.588 -0.900 1.00 0.00 C ATOM 944 C MET A 58 110.275 -10.176 -1.201 1.00 0.00 C ATOM 945 O MET A 58 110.654 -11.187 -0.589 1.00 0.00 O ATOM 946 CB MET A 58 108.877 -8.946 0.479 1.00 0.00 C ATOM 947 CG MET A 58 109.896 -7.875 0.679 1.00 0.00 C ATOM 948 SD MET A 58 109.834 -7.157 2.313 1.00 0.00 S ATOM 949 CE MET A 58 111.229 -6.070 2.176 1.00 0.00 C ATOM 0 H MET A 58 108.405 -11.553 -0.548 1.00 0.00 H new ATOM 0 HA MET A 58 108.665 -8.797 -1.605 1.00 0.00 H new ATOM 0 HB2 MET A 58 107.885 -8.525 0.642 1.00 0.00 H new ATOM 0 HB3 MET A 58 109.023 -9.719 1.234 1.00 0.00 H new ATOM 0 HG2 MET A 58 110.890 -8.288 0.506 1.00 0.00 H new ATOM 0 HG3 MET A 58 109.743 -7.091 -0.063 1.00 0.00 H new ATOM 0 HE1 MET A 58 111.204 -5.342 2.987 1.00 0.00 H new ATOM 0 HE2 MET A 58 112.150 -6.650 2.237 1.00 0.00 H new ATOM 0 HE3 MET A 58 111.192 -5.549 1.219 1.00 0.00 H new ATOM 959 N GLU A 59 110.983 -9.596 -2.137 1.00 0.00 N ATOM 960 CA GLU A 59 112.173 -10.222 -2.700 1.00 0.00 C ATOM 961 C GLU A 59 113.153 -9.165 -3.126 1.00 0.00 C ATOM 962 O GLU A 59 112.752 -8.112 -3.605 1.00 0.00 O ATOM 963 CB GLU A 59 111.799 -11.051 -3.941 1.00 0.00 C ATOM 964 CG GLU A 59 110.821 -12.182 -3.685 1.00 0.00 C ATOM 965 CD GLU A 59 110.498 -12.965 -4.919 1.00 0.00 C ATOM 966 OE1 GLU A 59 111.335 -13.786 -5.358 1.00 0.00 O ATOM 967 OE2 GLU A 59 109.401 -12.778 -5.484 1.00 0.00 O ATOM 0 H GLU A 59 110.761 -8.683 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 59 112.614 -10.865 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.372 -10.384 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.710 -11.469 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 59 111.238 -12.853 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.900 -11.772 -3.270 1.00 0.00 H new ATOM 974 N THR A 60 114.437 -9.516 -3.048 1.00 0.00 N ATOM 975 CA THR A 60 115.542 -8.648 -3.355 1.00 0.00 C ATOM 976 C THR A 60 115.286 -7.882 -4.645 1.00 0.00 C ATOM 977 O THR A 60 115.151 -8.480 -5.722 1.00 0.00 O ATOM 978 CB THR A 60 116.763 -9.510 -3.555 1.00 0.00 C ATOM 979 OG1 THR A 60 116.891 -10.422 -2.458 1.00 0.00 O ATOM 980 CG2 THR A 60 117.968 -8.667 -3.629 1.00 0.00 C ATOM 0 H THR A 60 114.732 -10.448 -2.758 1.00 0.00 H new ATOM 0 HA THR A 60 115.676 -7.935 -2.541 1.00 0.00 H new ATOM 0 HB THR A 60 116.655 -10.067 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.583 -11.085 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.845 -9.298 -3.773 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.877 -7.975 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 60 118.075 -8.103 -2.702 1.00 0.00 H new ATOM 988 N GLY A 61 115.221 -6.583 -4.530 1.00 0.00 N ATOM 989 CA GLY A 61 114.849 -5.779 -5.641 1.00 0.00 C ATOM 990 C GLY A 61 113.648 -4.891 -5.314 1.00 0.00 C ATOM 991 O GLY A 61 113.235 -4.080 -6.143 1.00 0.00 O ATOM 0 H GLY A 61 115.423 -6.067 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.692 -5.156 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 61 114.609 -6.419 -6.490 1.00 0.00 H new ATOM 995 N ASP A 62 113.032 -5.094 -4.137 1.00 0.00 N ATOM 996 CA ASP A 62 111.944 -4.195 -3.692 1.00 0.00 C ATOM 997 C ASP A 62 112.595 -2.909 -3.253 1.00 0.00 C ATOM 998 O ASP A 62 113.752 -2.924 -2.799 1.00 0.00 O ATOM 999 CB ASP A 62 111.188 -4.677 -2.422 1.00 0.00 C ATOM 1000 CG ASP A 62 110.834 -6.138 -2.311 1.00 0.00 C ATOM 1001 OD1 ASP A 62 109.807 -6.591 -2.873 1.00 0.00 O ATOM 1002 OD2 ASP A 62 111.541 -6.836 -1.611 1.00 0.00 O ATOM 0 H ASP A 62 113.257 -5.849 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 62 111.243 -4.129 -4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 62 111.795 -4.415 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.263 -4.105 -2.349 1.00 0.00 H new ATOM 1007 N VAL A 63 111.917 -1.806 -3.377 1.00 0.00 N ATOM 1008 CA VAL A 63 112.439 -0.607 -2.802 1.00 0.00 C ATOM 1009 C VAL A 63 111.586 -0.258 -1.592 1.00 0.00 C ATOM 1010 O VAL A 63 110.355 -0.264 -1.673 1.00 0.00 O ATOM 1011 CB VAL A 63 112.567 0.609 -3.800 1.00 0.00 C ATOM 1012 CG1 VAL A 63 113.037 0.176 -5.155 1.00 0.00 C ATOM 1013 CG2 VAL A 63 111.313 1.412 -3.934 1.00 0.00 C ATOM 0 H VAL A 63 111.023 -1.713 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 63 113.471 -0.803 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 63 113.319 1.257 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 63 113.111 1.045 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 63 114.015 -0.296 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 63 112.327 -0.536 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 63 111.478 2.230 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 63 110.510 0.774 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 63 111.036 1.819 -2.962 1.00 0.00 H new ATOM 1023 N ILE A 64 112.213 -0.009 -0.482 1.00 0.00 N ATOM 1024 CA ILE A 64 111.500 0.318 0.715 1.00 0.00 C ATOM 1025 C ILE A 64 111.200 1.802 0.728 1.00 0.00 C ATOM 1026 O ILE A 64 112.150 2.692 0.725 1.00 0.00 O ATOM 1027 CB ILE A 64 112.228 -0.121 2.015 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.374 -1.636 2.054 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.501 0.378 3.270 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.065 -2.391 2.059 1.00 0.00 C ATOM 0 H ILE A 64 113.228 -0.027 -0.381 1.00 0.00 H new ATOM 0 HA ILE A 64 110.570 -0.250 0.704 1.00 0.00 H new ATOM 0 HB ILE A 64 113.219 0.332 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 64 112.959 -1.954 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 64 112.941 -1.911 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.041 0.050 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.454 1.467 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.490 -0.028 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.263 -3.462 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.484 -2.106 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.502 -2.150 1.157 1.00 0.00 H new ATOM 1042 N VAL A 65 109.897 2.047 0.688 1.00 0.00 N ATOM 1043 CA VAL A 65 109.301 3.343 0.629 1.00 0.00 C ATOM 1044 C VAL A 65 108.910 3.794 2.032 1.00 0.00 C ATOM 1045 O VAL A 65 109.407 4.770 2.509 1.00 0.00 O ATOM 1046 CB VAL A 65 108.032 3.298 -0.306 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.307 4.633 -0.392 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.408 2.818 -1.699 1.00 0.00 C ATOM 0 H VAL A 65 109.205 1.297 0.697 1.00 0.00 H new ATOM 0 HA VAL A 65 110.017 4.055 0.219 1.00 0.00 H new ATOM 0 HB VAL A 65 107.341 2.589 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.443 4.536 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 65 106.974 4.931 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.983 5.389 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.518 2.794 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.141 3.498 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.835 1.817 -1.636 1.00 0.00 H new ATOM 1058 N SER A 66 108.083 3.045 2.714 1.00 0.00 N ATOM 1059 CA SER A 66 107.619 3.494 4.013 1.00 0.00 C ATOM 1060 C SER A 66 107.199 2.294 4.858 1.00 0.00 C ATOM 1061 O SER A 66 107.055 1.184 4.328 1.00 0.00 O ATOM 1062 CB SER A 66 106.463 4.497 3.820 1.00 0.00 C ATOM 1063 OG SER A 66 106.092 5.127 5.035 1.00 0.00 O ATOM 0 H SER A 66 107.721 2.142 2.407 1.00 0.00 H new ATOM 0 HA SER A 66 108.423 4.002 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 66 106.759 5.255 3.095 1.00 0.00 H new ATOM 0 HB3 SER A 66 105.600 3.978 3.403 1.00 0.00 H new ATOM 0 HG SER A 66 106.857 5.134 5.647 1.00 0.00 H new ATOM 1069 N VAL A 67 107.007 2.499 6.155 1.00 0.00 N ATOM 1070 CA VAL A 67 106.668 1.405 7.037 1.00 0.00 C ATOM 1071 C VAL A 67 105.867 1.856 8.265 1.00 0.00 C ATOM 1072 O VAL A 67 106.345 2.636 9.089 1.00 0.00 O ATOM 1073 CB VAL A 67 107.941 0.589 7.464 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.960 1.435 8.185 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.571 -0.608 8.295 1.00 0.00 C ATOM 0 H VAL A 67 107.081 3.408 6.611 1.00 0.00 H new ATOM 0 HA VAL A 67 106.019 0.744 6.463 1.00 0.00 H new ATOM 0 HB VAL A 67 108.404 0.243 6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 67 109.818 0.819 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 67 109.287 2.246 7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 67 108.513 1.852 9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 67 108.474 -1.151 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 107.053 -0.279 9.196 1.00 0.00 H new ATOM 0 HG23 VAL A 67 106.918 -1.263 7.719 1.00 0.00 H new ATOM 1085 N ASN A 68 104.625 1.377 8.333 1.00 0.00 N ATOM 1086 CA ASN A 68 103.712 1.549 9.485 1.00 0.00 C ATOM 1087 C ASN A 68 103.603 2.998 9.903 1.00 0.00 C ATOM 1088 O ASN A 68 103.876 3.379 11.050 1.00 0.00 O ATOM 1089 CB ASN A 68 104.215 0.671 10.596 1.00 0.00 C ATOM 1090 CG ASN A 68 103.293 0.473 11.790 1.00 0.00 C ATOM 1091 OD1 ASN A 68 103.355 1.196 12.783 1.00 0.00 O ATOM 1092 ND2 ASN A 68 102.435 -0.496 11.705 1.00 0.00 N ATOM 0 H ASN A 68 104.206 0.843 7.572 1.00 0.00 H new ATOM 0 HA ASN A 68 102.699 1.252 9.212 1.00 0.00 H new ATOM 0 HB2 ASN A 68 104.442 -0.309 10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 68 105.154 1.088 10.959 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.789 -0.674 12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.406 -1.080 10.869 1.00 0.00 H new ATOM 1099 N ASP A 69 103.301 3.798 8.920 1.00 0.00 N ATOM 1100 CA ASP A 69 103.096 5.241 9.028 1.00 0.00 C ATOM 1101 C ASP A 69 104.371 6.026 9.328 1.00 0.00 C ATOM 1102 O ASP A 69 104.360 7.265 9.315 1.00 0.00 O ATOM 1103 CB ASP A 69 101.978 5.603 10.005 1.00 0.00 C ATOM 1104 CG ASP A 69 100.586 5.312 9.486 1.00 0.00 C ATOM 1105 OD1 ASP A 69 100.106 4.156 9.593 1.00 0.00 O ATOM 1106 OD2 ASP A 69 99.923 6.246 8.996 1.00 0.00 O ATOM 0 H ASP A 69 103.182 3.457 7.966 1.00 0.00 H new ATOM 0 HA ASP A 69 102.778 5.550 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 69 102.130 5.054 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 69 102.050 6.664 10.246 1.00 0.00 H new ATOM 1111 N THR A 70 105.452 5.332 9.587 1.00 0.00 N ATOM 1112 CA THR A 70 106.721 5.942 9.837 1.00 0.00 C ATOM 1113 C THR A 70 107.337 6.288 8.496 1.00 0.00 C ATOM 1114 O THR A 70 107.467 5.420 7.610 1.00 0.00 O ATOM 1115 CB THR A 70 107.625 4.974 10.628 1.00 0.00 C ATOM 1116 OG1 THR A 70 106.900 4.511 11.783 1.00 0.00 O ATOM 1117 CG2 THR A 70 108.900 5.663 11.091 1.00 0.00 C ATOM 0 H THR A 70 105.468 4.313 9.629 1.00 0.00 H new ATOM 0 HA THR A 70 106.606 6.846 10.435 1.00 0.00 H new ATOM 0 HB THR A 70 107.900 4.143 9.978 1.00 0.00 H new ATOM 0 HG1 THR A 70 107.462 3.893 12.296 1.00 0.00 H new ATOM 0 HG21 THR A 70 109.516 4.955 11.645 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.454 6.024 10.224 1.00 0.00 H new ATOM 0 HG23 THR A 70 108.645 6.504 11.736 1.00 0.00 H new ATOM 1125 N CYS A 71 107.716 7.530 8.344 1.00 0.00 N ATOM 1126 CA CYS A 71 108.173 8.031 7.089 1.00 0.00 C ATOM 1127 C CYS A 71 109.641 7.688 6.878 1.00 0.00 C ATOM 1128 O CYS A 71 110.531 8.537 6.978 1.00 0.00 O ATOM 1129 CB CYS A 71 107.914 9.535 7.001 1.00 0.00 C ATOM 1130 SG CYS A 71 108.203 10.251 5.364 1.00 0.00 S ATOM 0 H CYS A 71 107.714 8.220 9.095 1.00 0.00 H new ATOM 0 HA CYS A 71 107.615 7.552 6.285 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.882 9.731 7.292 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.552 10.044 7.724 1.00 0.00 H new ATOM 0 HG CYS A 71 109.415 9.980 4.980 1.00 0.00 H new ATOM 1136 N VAL A 72 109.876 6.427 6.594 1.00 0.00 N ATOM 1137 CA VAL A 72 111.199 5.904 6.307 1.00 0.00 C ATOM 1138 C VAL A 72 111.572 6.240 4.848 1.00 0.00 C ATOM 1139 O VAL A 72 112.682 6.004 4.376 1.00 0.00 O ATOM 1140 CB VAL A 72 111.243 4.378 6.627 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.595 3.756 6.330 1.00 0.00 C ATOM 1142 CG2 VAL A 72 110.916 4.184 8.093 1.00 0.00 C ATOM 0 H VAL A 72 109.141 5.720 6.554 1.00 0.00 H new ATOM 0 HA VAL A 72 111.950 6.373 6.943 1.00 0.00 H new ATOM 0 HB VAL A 72 110.513 3.881 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.568 2.693 6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.829 3.882 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.361 4.245 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 72 110.942 3.121 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 72 111.649 4.713 8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 72 109.921 4.578 8.299 1.00 0.00 H new ATOM 1152 N LEU A 73 110.626 6.826 4.168 1.00 0.00 N ATOM 1153 CA LEU A 73 110.818 7.344 2.861 1.00 0.00 C ATOM 1154 C LEU A 73 111.765 8.499 2.983 1.00 0.00 C ATOM 1155 O LEU A 73 111.430 9.525 3.578 1.00 0.00 O ATOM 1156 CB LEU A 73 109.461 7.814 2.377 1.00 0.00 C ATOM 1157 CG LEU A 73 109.308 8.130 0.921 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.876 7.007 0.076 1.00 0.00 C ATOM 1159 CD2 LEU A 73 107.836 8.302 0.639 1.00 0.00 C ATOM 0 H LEU A 73 109.679 6.955 4.525 1.00 0.00 H new ATOM 0 HA LEU A 73 111.225 6.613 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.731 7.046 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.195 8.707 2.943 1.00 0.00 H new ATOM 0 HG LEU A 73 109.851 9.042 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.758 7.251 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.935 6.881 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 73 109.345 6.081 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.692 8.534 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.309 7.380 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.442 9.117 1.246 1.00 0.00 H new ATOM 1171 N GLY A 74 112.943 8.323 2.449 1.00 0.00 N ATOM 1172 CA GLY A 74 113.951 9.320 2.584 1.00 0.00 C ATOM 1173 C GLY A 74 114.475 9.389 4.006 1.00 0.00 C ATOM 1174 O GLY A 74 114.736 10.476 4.540 1.00 0.00 O ATOM 0 H GLY A 74 113.221 7.497 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.773 9.103 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.546 10.290 2.296 1.00 0.00 H new ATOM 1178 N HIS A 75 114.583 8.250 4.635 1.00 0.00 N ATOM 1179 CA HIS A 75 115.090 8.177 5.962 1.00 0.00 C ATOM 1180 C HIS A 75 116.587 8.179 5.875 1.00 0.00 C ATOM 1181 O HIS A 75 117.153 7.710 4.898 1.00 0.00 O ATOM 1182 CB HIS A 75 114.620 6.894 6.624 1.00 0.00 C ATOM 1183 CG HIS A 75 114.044 7.077 7.986 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.982 7.904 8.282 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.396 6.511 9.135 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.736 7.809 9.590 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.573 6.971 10.157 1.00 0.00 N ATOM 0 H HIS A 75 114.319 7.350 4.234 1.00 0.00 H new ATOM 0 HA HIS A 75 114.736 9.021 6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.871 6.424 5.987 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.461 6.204 6.689 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.473 8.487 7.617 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.200 5.801 9.257 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.957 8.347 10.110 1.00 0.00 H new ATOM 1195 N THR A 76 117.210 8.752 6.843 1.00 0.00 N ATOM 1196 CA THR A 76 118.635 8.782 6.900 1.00 0.00 C ATOM 1197 C THR A 76 119.150 7.408 7.342 1.00 0.00 C ATOM 1198 O THR A 76 118.495 6.799 8.173 1.00 0.00 O ATOM 1199 CB THR A 76 119.030 9.840 7.944 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.504 11.113 7.576 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.517 9.938 8.177 1.00 0.00 C ATOM 0 H THR A 76 116.746 9.217 7.624 1.00 0.00 H new ATOM 0 HA THR A 76 119.061 9.023 5.926 1.00 0.00 H new ATOM 0 HB THR A 76 118.595 9.514 8.889 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.760 11.779 8.248 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.718 10.705 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 76 120.894 8.978 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 76 121.015 10.202 7.244 1.00 0.00 H new ATOM 1209 N HIS A 77 120.273 6.933 6.814 1.00 0.00 N ATOM 1210 CA HIS A 77 120.837 5.615 7.187 1.00 0.00 C ATOM 1211 C HIS A 77 120.874 5.383 8.694 1.00 0.00 C ATOM 1212 O HIS A 77 120.376 4.365 9.180 1.00 0.00 O ATOM 1213 CB HIS A 77 122.241 5.460 6.580 1.00 0.00 C ATOM 1214 CG HIS A 77 122.962 4.193 6.960 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.592 2.927 6.554 1.00 0.00 N ATOM 1216 CD2 HIS A 77 124.065 4.026 7.728 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.464 2.061 7.069 1.00 0.00 C ATOM 1218 NE2 HIS A 77 124.379 2.680 7.786 1.00 0.00 N ATOM 0 H HIS A 77 120.824 7.437 6.119 1.00 0.00 H new ATOM 0 HA HIS A 77 120.172 4.854 6.779 1.00 0.00 H new ATOM 0 HB2 HIS A 77 122.158 5.501 5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.849 6.312 6.885 1.00 0.00 H new ATOM 0 HD1 HIS A 77 121.793 2.695 5.964 1.00 0.00 H new ATOM 0 HD2 HIS A 77 124.612 4.818 8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 77 123.425 0.992 6.918 1.00 0.00 H new ATOM 1226 N ALA A 78 121.361 6.356 9.413 1.00 0.00 N ATOM 1227 CA ALA A 78 121.482 6.270 10.857 1.00 0.00 C ATOM 1228 C ALA A 78 120.104 6.144 11.512 1.00 0.00 C ATOM 1229 O ALA A 78 119.930 5.452 12.506 1.00 0.00 O ATOM 1230 CB ALA A 78 122.203 7.489 11.369 1.00 0.00 C ATOM 0 H ALA A 78 121.689 7.238 9.020 1.00 0.00 H new ATOM 0 HA ALA A 78 122.054 5.379 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.296 7.428 12.453 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.196 7.539 10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.640 8.383 11.103 1.00 0.00 H new ATOM 1236 N GLN A 79 119.124 6.759 10.892 1.00 0.00 N ATOM 1237 CA GLN A 79 117.780 6.753 11.403 1.00 0.00 C ATOM 1238 C GLN A 79 117.111 5.425 11.099 1.00 0.00 C ATOM 1239 O GLN A 79 116.548 4.784 11.982 1.00 0.00 O ATOM 1240 CB GLN A 79 116.965 7.877 10.788 1.00 0.00 C ATOM 1241 CG GLN A 79 117.469 9.268 11.084 1.00 0.00 C ATOM 1242 CD GLN A 79 117.459 9.586 12.542 1.00 0.00 C ATOM 1243 OE1 GLN A 79 116.477 10.062 13.070 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.561 9.358 13.193 1.00 0.00 N ATOM 0 H GLN A 79 119.239 7.276 10.020 1.00 0.00 H new ATOM 0 HA GLN A 79 117.828 6.900 12.482 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.941 7.738 9.707 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.938 7.796 11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.484 9.371 10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.853 9.994 10.554 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.365 8.956 12.710 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.622 9.581 14.186 1.00 0.00 H new ATOM 1253 N VAL A 80 117.196 5.014 9.842 1.00 0.00 N ATOM 1254 CA VAL A 80 116.590 3.786 9.404 1.00 0.00 C ATOM 1255 C VAL A 80 117.177 2.593 10.138 1.00 0.00 C ATOM 1256 O VAL A 80 116.431 1.753 10.645 1.00 0.00 O ATOM 1257 CB VAL A 80 116.617 3.586 7.845 1.00 0.00 C ATOM 1258 CG1 VAL A 80 118.013 3.625 7.274 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.953 2.286 7.494 1.00 0.00 C ATOM 0 H VAL A 80 117.686 5.526 9.108 1.00 0.00 H new ATOM 0 HA VAL A 80 115.534 3.861 9.665 1.00 0.00 H new ATOM 0 HB VAL A 80 116.072 4.419 7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.969 3.481 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.469 4.590 7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.611 2.831 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.972 2.148 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 80 116.485 1.465 7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.919 2.300 7.840 1.00 0.00 H new ATOM 1269 N VAL A 81 118.503 2.560 10.269 1.00 0.00 N ATOM 1270 CA VAL A 81 119.145 1.456 10.958 1.00 0.00 C ATOM 1271 C VAL A 81 118.671 1.382 12.392 1.00 0.00 C ATOM 1272 O VAL A 81 118.251 0.333 12.844 1.00 0.00 O ATOM 1273 CB VAL A 81 120.723 1.446 10.853 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.387 2.614 11.569 1.00 0.00 C ATOM 1275 CG2 VAL A 81 121.299 0.123 11.336 1.00 0.00 C ATOM 0 H VAL A 81 119.138 3.274 9.912 1.00 0.00 H new ATOM 0 HA VAL A 81 118.835 0.551 10.436 1.00 0.00 H new ATOM 0 HB VAL A 81 120.950 1.565 9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.469 2.543 11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 81 121.038 3.552 11.137 1.00 0.00 H new ATOM 0 HG13 VAL A 81 121.131 2.585 12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.385 0.147 11.252 1.00 0.00 H new ATOM 0 HG22 VAL A 81 121.019 -0.037 12.377 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.905 -0.690 10.726 1.00 0.00 H new ATOM 1285 N LYS A 82 118.623 2.525 13.045 1.00 0.00 N ATOM 1286 CA LYS A 82 118.228 2.617 14.422 1.00 0.00 C ATOM 1287 C LYS A 82 116.796 2.112 14.711 1.00 0.00 C ATOM 1288 O LYS A 82 116.584 1.430 15.707 1.00 0.00 O ATOM 1289 CB LYS A 82 118.570 4.027 14.973 1.00 0.00 C ATOM 1290 CG LYS A 82 117.533 4.748 15.844 1.00 0.00 C ATOM 1291 CD LYS A 82 116.511 5.481 14.983 1.00 0.00 C ATOM 1292 CE LYS A 82 115.449 6.212 15.794 1.00 0.00 C ATOM 1293 NZ LYS A 82 116.018 7.237 16.693 1.00 0.00 N ATOM 0 H LYS A 82 118.861 3.423 12.623 1.00 0.00 H new ATOM 0 HA LYS A 82 118.821 1.905 14.996 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.488 3.941 15.554 1.00 0.00 H new ATOM 0 HB3 LYS A 82 118.791 4.670 14.121 1.00 0.00 H new ATOM 0 HG2 LYS A 82 117.024 4.026 16.483 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.035 5.457 16.502 1.00 0.00 H new ATOM 0 HD2 LYS A 82 117.030 6.199 14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 82 116.023 4.765 14.322 1.00 0.00 H new ATOM 0 HE2 LYS A 82 114.741 6.685 15.114 1.00 0.00 H new ATOM 0 HE3 LYS A 82 114.888 5.488 16.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 115.247 7.770 17.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 116.593 6.775 17.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 116.615 7.888 16.144 1.00 0.00 H new ATOM 1307 N ILE A 83 115.841 2.379 13.826 1.00 0.00 N ATOM 1308 CA ILE A 83 114.466 1.937 14.064 1.00 0.00 C ATOM 1309 C ILE A 83 114.390 0.439 13.860 1.00 0.00 C ATOM 1310 O ILE A 83 113.919 -0.332 14.721 1.00 0.00 O ATOM 1311 CB ILE A 83 113.443 2.654 13.128 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.450 4.166 13.391 1.00 0.00 C ATOM 1313 CG2 ILE A 83 112.032 2.082 13.310 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.463 4.948 12.557 1.00 0.00 C ATOM 0 H ILE A 83 115.985 2.888 12.954 1.00 0.00 H new ATOM 0 HA ILE A 83 114.199 2.198 15.088 1.00 0.00 H new ATOM 0 HB ILE A 83 113.745 2.477 12.096 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.235 4.340 14.445 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.452 4.551 13.202 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.341 2.600 12.646 1.00 0.00 H new ATOM 0 HG22 ILE A 83 112.037 1.019 13.071 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.714 2.220 14.343 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.534 6.007 12.806 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.689 4.808 11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.453 4.594 12.762 1.00 0.00 H new ATOM 1326 N PHE A 84 114.950 0.045 12.756 1.00 0.00 N ATOM 1327 CA PHE A 84 114.937 -1.304 12.278 1.00 0.00 C ATOM 1328 C PHE A 84 115.727 -2.274 13.181 1.00 0.00 C ATOM 1329 O PHE A 84 115.435 -3.464 13.223 1.00 0.00 O ATOM 1330 CB PHE A 84 115.401 -1.320 10.822 1.00 0.00 C ATOM 1331 CG PHE A 84 114.353 -0.829 9.810 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.803 0.440 9.903 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.935 -1.641 8.766 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.869 0.885 8.993 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.993 -1.198 7.846 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.462 0.064 7.964 1.00 0.00 C ATOM 0 H PHE A 84 115.450 0.683 12.137 1.00 0.00 H new ATOM 0 HA PHE A 84 113.915 -1.680 12.320 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.292 -0.699 10.732 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.693 -2.337 10.559 1.00 0.00 H new ATOM 0 HD1 PHE A 84 114.113 1.093 10.705 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.349 -2.634 8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 84 112.455 1.878 9.086 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.679 -1.844 7.040 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.728 0.411 7.252 1.00 0.00 H new ATOM 1346 N GLN A 85 116.736 -1.783 13.870 1.00 0.00 N ATOM 1347 CA GLN A 85 117.443 -2.616 14.838 1.00 0.00 C ATOM 1348 C GLN A 85 116.770 -2.584 16.216 1.00 0.00 C ATOM 1349 O GLN A 85 116.920 -3.519 17.004 1.00 0.00 O ATOM 1350 CB GLN A 85 118.920 -2.237 14.955 1.00 0.00 C ATOM 1351 CG GLN A 85 119.174 -0.807 15.391 1.00 0.00 C ATOM 1352 CD GLN A 85 120.634 -0.425 15.394 1.00 0.00 C ATOM 1353 OE1 GLN A 85 121.389 -1.008 14.502 1.00 0.00 O flip ATOM 1354 NE2 GLN A 85 121.073 0.417 16.191 1.00 0.00 N flip ATOM 0 H GLN A 85 117.086 -0.829 13.785 1.00 0.00 H new ATOM 0 HA GLN A 85 117.391 -3.637 14.459 1.00 0.00 H new ATOM 0 HB2 GLN A 85 119.399 -2.910 15.666 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.400 -2.399 13.990 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.632 -0.132 14.728 1.00 0.00 H new ATOM 0 HG3 GLN A 85 118.768 -0.664 16.392 1.00 0.00 H new ATOM 0 HE21 GLN A 85 120.449 0.849 16.872 1.00 0.00 H new ATOM 0 HE22 GLN A 85 122.059 0.678 16.165 1.00 0.00 H new ATOM 1363 N SER A 86 116.035 -1.515 16.494 1.00 0.00 N ATOM 1364 CA SER A 86 115.412 -1.322 17.794 1.00 0.00 C ATOM 1365 C SER A 86 114.176 -2.210 17.990 1.00 0.00 C ATOM 1366 O SER A 86 113.814 -2.535 19.131 1.00 0.00 O ATOM 1367 CB SER A 86 115.062 0.164 17.991 1.00 0.00 C ATOM 1368 OG SER A 86 114.403 0.415 19.226 1.00 0.00 O ATOM 0 H SER A 86 115.856 -0.763 15.829 1.00 0.00 H new ATOM 0 HA SER A 86 116.132 -1.625 18.554 1.00 0.00 H new ATOM 0 HB2 SER A 86 115.975 0.757 17.944 1.00 0.00 H new ATOM 0 HB3 SER A 86 114.425 0.495 17.171 1.00 0.00 H new ATOM 0 HG SER A 86 114.205 1.372 19.302 1.00 0.00 H new ATOM 1374 N ILE A 87 113.529 -2.588 16.905 1.00 0.00 N ATOM 1375 CA ILE A 87 112.351 -3.422 16.969 1.00 0.00 C ATOM 1376 C ILE A 87 112.586 -4.787 17.634 1.00 0.00 C ATOM 1377 O ILE A 87 113.690 -5.331 17.609 1.00 0.00 O ATOM 1378 CB ILE A 87 111.686 -3.639 15.609 1.00 0.00 C ATOM 1379 CG1 ILE A 87 112.643 -3.458 14.462 1.00 0.00 C ATOM 1380 CG2 ILE A 87 110.400 -2.849 15.448 1.00 0.00 C ATOM 1381 CD1 ILE A 87 112.013 -3.705 13.147 1.00 0.00 C ATOM 0 H ILE A 87 113.806 -2.325 15.959 1.00 0.00 H new ATOM 0 HA ILE A 87 111.675 -2.848 17.603 1.00 0.00 H new ATOM 0 HB ILE A 87 111.387 -4.687 15.581 1.00 0.00 H new ATOM 0 HG12 ILE A 87 113.042 -2.444 14.484 1.00 0.00 H new ATOM 0 HG13 ILE A 87 113.487 -4.136 14.589 1.00 0.00 H new ATOM 0 HG21 ILE A 87 109.974 -3.044 14.464 1.00 0.00 H new ATOM 0 HG22 ILE A 87 109.689 -3.151 16.217 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.612 -1.784 15.548 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.750 -3.560 12.357 1.00 0.00 H new ATOM 0 HD12 ILE A 87 111.638 -4.728 13.110 1.00 0.00 H new ATOM 0 HD13 ILE A 87 111.186 -3.010 13.003 1.00 0.00 H new ATOM 1393 N PRO A 88 111.525 -5.334 18.230 1.00 0.00 N ATOM 1394 CA PRO A 88 111.531 -6.591 18.950 1.00 0.00 C ATOM 1395 C PRO A 88 110.926 -7.732 18.118 1.00 0.00 C ATOM 1396 O PRO A 88 110.208 -7.514 17.132 1.00 0.00 O ATOM 1397 CB PRO A 88 110.587 -6.258 20.124 1.00 0.00 C ATOM 1398 CG PRO A 88 109.724 -5.106 19.648 1.00 0.00 C ATOM 1399 CD PRO A 88 110.190 -4.771 18.257 1.00 0.00 C ATOM 0 HA PRO A 88 112.530 -6.928 19.225 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.976 -7.120 20.390 1.00 0.00 H new ATOM 0 HB3 PRO A 88 111.153 -5.981 21.014 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.670 -5.385 19.648 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.826 -4.246 20.309 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.547 -5.214 17.496 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.199 -3.696 18.080 1.00 0.00 H new ATOM 1407 N ILE A 89 111.260 -8.925 18.496 1.00 0.00 N ATOM 1408 CA ILE A 89 110.743 -10.120 17.875 1.00 0.00 C ATOM 1409 C ILE A 89 109.243 -10.259 18.173 1.00 0.00 C ATOM 1410 O ILE A 89 108.822 -10.111 19.322 1.00 0.00 O ATOM 1411 CB ILE A 89 111.487 -11.370 18.431 1.00 0.00 C ATOM 1412 CG1 ILE A 89 113.001 -11.165 18.331 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.066 -12.636 17.691 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.834 -12.261 18.933 1.00 0.00 C ATOM 0 H ILE A 89 111.912 -9.108 19.259 1.00 0.00 H new ATOM 0 HA ILE A 89 110.897 -10.049 16.798 1.00 0.00 H new ATOM 0 HB ILE A 89 111.215 -11.493 19.479 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.269 -11.062 17.280 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.258 -10.225 18.819 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.602 -13.492 18.101 1.00 0.00 H new ATOM 0 HG22 ILE A 89 109.993 -12.788 17.811 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.302 -12.534 16.632 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.891 -12.023 18.812 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.602 -12.353 19.994 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.614 -13.203 18.431 1.00 0.00 H new ATOM 1426 N GLY A 90 108.465 -10.504 17.143 1.00 0.00 N ATOM 1427 CA GLY A 90 107.059 -10.752 17.309 1.00 0.00 C ATOM 1428 C GLY A 90 106.181 -9.562 16.981 1.00 0.00 C ATOM 1429 O GLY A 90 104.977 -9.592 17.260 1.00 0.00 O ATOM 0 H GLY A 90 108.789 -10.536 16.177 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.771 -11.589 16.674 1.00 0.00 H new ATOM 0 HA3 GLY A 90 106.873 -11.055 18.339 1.00 0.00 H new ATOM 1433 N ALA A 91 106.729 -8.517 16.381 1.00 0.00 N ATOM 1434 CA ALA A 91 105.917 -7.321 16.149 1.00 0.00 C ATOM 1435 C ALA A 91 105.381 -7.259 14.696 1.00 0.00 C ATOM 1436 O ALA A 91 105.605 -8.165 13.924 1.00 0.00 O ATOM 1437 CB ALA A 91 106.706 -6.093 16.536 1.00 0.00 C ATOM 0 H ALA A 91 107.694 -8.465 16.055 1.00 0.00 H new ATOM 0 HA ALA A 91 105.031 -7.365 16.782 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.101 -5.203 16.363 1.00 0.00 H new ATOM 0 HB2 ALA A 91 106.974 -6.150 17.591 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.613 -6.038 15.934 1.00 0.00 H new ATOM 1443 N SER A 92 104.688 -6.186 14.331 1.00 0.00 N ATOM 1444 CA SER A 92 104.041 -6.077 13.009 1.00 0.00 C ATOM 1445 C SER A 92 104.160 -4.680 12.440 1.00 0.00 C ATOM 1446 O SER A 92 104.178 -3.706 13.186 1.00 0.00 O ATOM 1447 CB SER A 92 102.561 -6.453 13.152 1.00 0.00 C ATOM 1448 OG SER A 92 101.822 -6.195 11.971 1.00 0.00 O ATOM 0 H SER A 92 104.554 -5.370 14.929 1.00 0.00 H new ATOM 0 HA SER A 92 104.544 -6.756 12.320 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.480 -7.510 13.404 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.125 -5.894 13.980 1.00 0.00 H new ATOM 0 HG SER A 92 100.886 -6.451 12.108 1.00 0.00 H new ATOM 1454 N VAL A 93 104.294 -4.607 11.125 1.00 0.00 N ATOM 1455 CA VAL A 93 104.324 -3.353 10.376 1.00 0.00 C ATOM 1456 C VAL A 93 103.764 -3.522 9.007 1.00 0.00 C ATOM 1457 O VAL A 93 103.764 -4.602 8.455 1.00 0.00 O ATOM 1458 CB VAL A 93 105.707 -2.686 10.246 1.00 0.00 C ATOM 1459 CG1 VAL A 93 106.128 -1.960 11.502 1.00 0.00 C ATOM 1460 CG2 VAL A 93 106.749 -3.686 9.815 1.00 0.00 C ATOM 0 H VAL A 93 104.387 -5.433 10.533 1.00 0.00 H new ATOM 0 HA VAL A 93 103.707 -2.689 10.981 1.00 0.00 H new ATOM 0 HB VAL A 93 105.618 -1.927 9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 93 107.109 -1.510 11.351 1.00 0.00 H new ATOM 0 HG12 VAL A 93 105.403 -1.179 11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 93 106.176 -2.666 12.331 1.00 0.00 H new ATOM 0 HG21 VAL A 93 107.716 -3.190 9.731 1.00 0.00 H new ATOM 0 HG22 VAL A 93 106.814 -4.485 10.554 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.472 -4.107 8.849 1.00 0.00 H new ATOM 1470 N ASP A 94 103.347 -2.424 8.481 1.00 0.00 N ATOM 1471 CA ASP A 94 102.726 -2.294 7.212 1.00 0.00 C ATOM 1472 C ASP A 94 103.768 -1.711 6.319 1.00 0.00 C ATOM 1473 O ASP A 94 104.109 -0.542 6.444 1.00 0.00 O ATOM 1474 CB ASP A 94 101.590 -1.279 7.351 1.00 0.00 C ATOM 1475 CG ASP A 94 100.566 -1.640 8.402 1.00 0.00 C ATOM 1476 OD1 ASP A 94 100.861 -1.475 9.610 1.00 0.00 O ATOM 1477 OD2 ASP A 94 99.441 -2.075 8.057 1.00 0.00 O ATOM 0 H ASP A 94 103.438 -1.529 8.962 1.00 0.00 H new ATOM 0 HA ASP A 94 102.339 -3.240 6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 94 102.015 -0.305 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.088 -1.178 6.389 1.00 0.00 H new ATOM 1482 N LEU A 95 104.280 -2.485 5.463 1.00 0.00 N ATOM 1483 CA LEU A 95 105.382 -2.078 4.662 1.00 0.00 C ATOM 1484 C LEU A 95 104.935 -1.641 3.274 1.00 0.00 C ATOM 1485 O LEU A 95 104.312 -2.408 2.533 1.00 0.00 O ATOM 1486 CB LEU A 95 106.347 -3.238 4.559 1.00 0.00 C ATOM 1487 CG LEU A 95 107.750 -2.923 4.123 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.426 -2.089 5.188 1.00 0.00 C ATOM 1489 CD2 LEU A 95 108.488 -4.204 3.921 1.00 0.00 C ATOM 0 H LEU A 95 103.954 -3.435 5.284 1.00 0.00 H new ATOM 0 HA LEU A 95 105.865 -1.219 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.396 -3.725 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 95 105.930 -3.964 3.861 1.00 0.00 H new ATOM 0 HG LEU A 95 107.741 -2.361 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.445 -1.857 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 95 107.871 -1.162 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.451 -2.646 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 95 109.509 -3.990 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 95 108.508 -4.764 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 95 107.987 -4.796 3.155 1.00 0.00 H new ATOM 1501 N GLU A 96 105.248 -0.418 2.943 1.00 0.00 N ATOM 1502 CA GLU A 96 104.980 0.133 1.643 1.00 0.00 C ATOM 1503 C GLU A 96 106.251 0.034 0.833 1.00 0.00 C ATOM 1504 O GLU A 96 107.266 0.668 1.177 1.00 0.00 O ATOM 1505 CB GLU A 96 104.551 1.600 1.754 1.00 0.00 C ATOM 1506 CG GLU A 96 103.237 1.807 2.477 1.00 0.00 C ATOM 1507 CD GLU A 96 102.830 3.256 2.555 1.00 0.00 C ATOM 1508 OE1 GLU A 96 102.459 3.837 1.509 1.00 0.00 O ATOM 1509 OE2 GLU A 96 102.838 3.833 3.667 1.00 0.00 O ATOM 0 H GLU A 96 105.704 0.235 3.580 1.00 0.00 H new ATOM 0 HA GLU A 96 104.170 -0.418 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 96 105.331 2.157 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 96 104.472 2.021 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 96 102.456 1.243 1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.316 1.403 3.486 1.00 0.00 H new ATOM 1516 N LEU A 97 106.233 -0.756 -0.203 1.00 0.00 N ATOM 1517 CA LEU A 97 107.416 -0.949 -0.993 1.00 0.00 C ATOM 1518 C LEU A 97 107.083 -1.012 -2.465 1.00 0.00 C ATOM 1519 O LEU A 97 105.988 -1.438 -2.849 1.00 0.00 O ATOM 1520 CB LEU A 97 108.265 -2.172 -0.503 1.00 0.00 C ATOM 1521 CG LEU A 97 107.748 -3.629 -0.675 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.712 -4.550 0.028 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.367 -3.832 -0.092 1.00 0.00 C ATOM 0 H LEU A 97 105.414 -1.276 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 97 108.054 -0.077 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.229 -2.114 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.453 -2.024 0.560 1.00 0.00 H new ATOM 0 HG LEU A 97 107.683 -3.841 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.373 -5.581 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.702 -4.447 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.759 -4.289 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.058 -4.867 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.386 -3.609 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.661 -3.167 -0.589 1.00 0.00 H new ATOM 1535 N CYS A 98 107.985 -0.553 -3.281 1.00 0.00 N ATOM 1536 CA CYS A 98 107.748 -0.523 -4.687 1.00 0.00 C ATOM 1537 C CYS A 98 108.752 -1.403 -5.374 1.00 0.00 C ATOM 1538 O CYS A 98 109.952 -1.216 -5.250 1.00 0.00 O ATOM 1539 CB CYS A 98 107.777 0.920 -5.230 1.00 0.00 C ATOM 1540 SG CYS A 98 107.051 1.130 -6.881 1.00 0.00 S ATOM 0 H CYS A 98 108.895 -0.193 -2.992 1.00 0.00 H new ATOM 0 HA CYS A 98 106.749 -0.908 -4.893 1.00 0.00 H new ATOM 0 HB2 CYS A 98 107.247 1.567 -4.531 1.00 0.00 H new ATOM 0 HB3 CYS A 98 108.812 1.262 -5.258 1.00 0.00 H new ATOM 0 HG CYS A 98 107.972 0.965 -7.784 1.00 0.00 H new ATOM 1546 N ARG A 99 108.264 -2.375 -6.052 1.00 0.00 N ATOM 1547 CA ARG A 99 109.087 -3.297 -6.762 1.00 0.00 C ATOM 1548 C ARG A 99 109.165 -2.788 -8.188 1.00 0.00 C ATOM 1549 O ARG A 99 108.169 -2.321 -8.713 1.00 0.00 O ATOM 1550 CB ARG A 99 108.433 -4.676 -6.720 1.00 0.00 C ATOM 1551 CG ARG A 99 109.209 -5.762 -7.392 1.00 0.00 C ATOM 1552 CD ARG A 99 110.319 -6.272 -6.508 1.00 0.00 C ATOM 1553 NE ARG A 99 109.807 -7.074 -5.408 1.00 0.00 N ATOM 1554 CZ ARG A 99 109.335 -8.305 -5.487 1.00 0.00 C ATOM 1555 NH1 ARG A 99 109.335 -8.968 -6.642 1.00 0.00 N ATOM 1556 NH2 ARG A 99 108.889 -8.872 -4.385 1.00 0.00 N ATOM 0 H ARG A 99 107.264 -2.560 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 99 110.084 -3.380 -6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 99 108.274 -4.955 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 99 107.450 -4.610 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.540 -6.583 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.628 -5.387 -8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 99 111.012 -6.869 -7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.884 -5.429 -6.111 1.00 0.00 H new ATOM 0 HE ARG A 99 109.813 -6.643 -4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 99 109.704 -8.526 -7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 99 108.967 -9.918 -6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.914 -8.361 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 99 108.518 -9.822 -4.414 1.00 0.00 H new ATOM 1570 N GLY A 100 110.308 -2.861 -8.803 1.00 0.00 N ATOM 1571 CA GLY A 100 110.441 -2.338 -10.139 1.00 0.00 C ATOM 1572 C GLY A 100 111.838 -1.869 -10.403 1.00 0.00 C ATOM 1573 O GLY A 100 112.284 -1.840 -11.544 1.00 0.00 O ATOM 0 H GLY A 100 111.155 -3.272 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 100 110.171 -3.108 -10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.745 -1.511 -10.279 1.00 0.00 H new ATOM 1577 N TYR A 101 112.506 -1.459 -9.358 1.00 0.00 N ATOM 1578 CA TYR A 101 113.902 -1.065 -9.433 1.00 0.00 C ATOM 1579 C TYR A 101 114.756 -2.226 -8.959 1.00 0.00 C ATOM 1580 O TYR A 101 114.920 -2.429 -7.750 1.00 0.00 O ATOM 1581 CB TYR A 101 114.174 0.168 -8.569 1.00 0.00 C ATOM 1582 CG TYR A 101 113.333 1.357 -8.936 1.00 0.00 C ATOM 1583 CD1 TYR A 101 113.753 2.258 -9.898 1.00 0.00 C ATOM 1584 CD2 TYR A 101 112.107 1.567 -8.333 1.00 0.00 C ATOM 1585 CE1 TYR A 101 112.976 3.336 -10.243 1.00 0.00 C ATOM 1586 CE2 TYR A 101 111.325 2.631 -8.675 1.00 0.00 C ATOM 1587 CZ TYR A 101 111.762 3.515 -9.626 1.00 0.00 C ATOM 1588 OH TYR A 101 110.966 4.565 -9.983 1.00 0.00 O ATOM 0 H TYR A 101 112.103 -1.386 -8.424 1.00 0.00 H new ATOM 0 HA TYR A 101 114.147 -0.809 -10.464 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.995 -0.084 -7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 101 115.227 0.437 -8.656 1.00 0.00 H new ATOM 0 HD1 TYR A 101 114.706 2.111 -10.385 1.00 0.00 H new ATOM 0 HD2 TYR A 101 111.762 0.876 -7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 101 113.316 4.036 -10.992 1.00 0.00 H new ATOM 0 HE2 TYR A 101 110.367 2.776 -8.199 1.00 0.00 H new ATOM 0 HH TYR A 101 111.282 4.942 -10.831 1.00 0.00 H new ATOM 2091 N GLU B 158 124.108 0.183 2.808 1.00 0.00 N ATOM 2092 CA GLU B 158 123.982 -1.159 3.301 1.00 0.00 C ATOM 2093 C GLU B 158 123.548 -1.144 4.758 1.00 0.00 C ATOM 2094 O GLU B 158 124.304 -0.746 5.633 1.00 0.00 O ATOM 2095 CB GLU B 158 125.267 -1.979 3.125 1.00 0.00 C ATOM 2096 CG GLU B 158 125.133 -3.392 3.673 1.00 0.00 C ATOM 2097 CD GLU B 158 126.341 -4.267 3.463 1.00 0.00 C ATOM 2098 OE1 GLU B 158 127.276 -4.250 4.296 1.00 0.00 O ATOM 2099 OE2 GLU B 158 126.346 -5.037 2.481 1.00 0.00 O ATOM 0 HA GLU B 158 123.216 -1.651 2.702 1.00 0.00 H new ATOM 0 HB2 GLU B 158 125.523 -2.026 2.066 1.00 0.00 H new ATOM 0 HB3 GLU B 158 126.090 -1.473 3.630 1.00 0.00 H new ATOM 0 HG2 GLU B 158 124.925 -3.334 4.741 1.00 0.00 H new ATOM 0 HG3 GLU B 158 124.271 -3.868 3.205 1.00 0.00 H new ATOM 2106 N THR B 159 122.320 -1.533 4.982 1.00 0.00 N ATOM 2107 CA THR B 159 121.759 -1.629 6.310 1.00 0.00 C ATOM 2108 C THR B 159 121.265 -3.074 6.488 1.00 0.00 C ATOM 2109 O THR B 159 120.653 -3.637 5.560 1.00 0.00 O ATOM 2110 CB THR B 159 120.560 -0.643 6.445 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.932 0.626 5.871 1.00 0.00 O ATOM 2112 CG2 THR B 159 120.149 -0.441 7.921 1.00 0.00 C ATOM 0 H THR B 159 121.671 -1.796 4.240 1.00 0.00 H new ATOM 0 HA THR B 159 122.501 -1.375 7.067 1.00 0.00 H new ATOM 0 HB THR B 159 119.706 -1.067 5.917 1.00 0.00 H new ATOM 0 HG1 THR B 159 120.183 1.253 5.950 1.00 0.00 H new ATOM 0 HG21 THR B 159 119.310 0.253 7.973 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.855 -1.398 8.351 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.991 -0.035 8.481 1.00 0.00 H new ATOM 2120 N GLN B 160 121.577 -3.693 7.608 1.00 0.00 N ATOM 2121 CA GLN B 160 121.124 -5.049 7.870 1.00 0.00 C ATOM 2122 C GLN B 160 119.936 -4.977 8.773 1.00 0.00 C ATOM 2123 O GLN B 160 120.032 -4.476 9.899 1.00 0.00 O ATOM 2124 CB GLN B 160 122.279 -5.929 8.450 1.00 0.00 C ATOM 2125 CG GLN B 160 121.987 -7.440 8.721 1.00 0.00 C ATOM 2126 CD GLN B 160 121.223 -7.760 10.006 1.00 0.00 C ATOM 2127 OE1 GLN B 160 119.931 -7.900 9.926 1.00 0.00 O flip ATOM 2128 NE2 GLN B 160 121.825 -7.949 11.056 1.00 0.00 N flip ATOM 0 H GLN B 160 122.141 -3.282 8.352 1.00 0.00 H new ATOM 0 HA GLN B 160 120.826 -5.537 6.942 1.00 0.00 H new ATOM 0 HB2 GLN B 160 123.121 -5.870 7.761 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.603 -5.478 9.388 1.00 0.00 H new ATOM 0 HG2 GLN B 160 121.421 -7.836 7.878 1.00 0.00 H new ATOM 0 HG3 GLN B 160 122.937 -7.974 8.745 1.00 0.00 H new ATOM 0 HE21 GLN B 160 122.838 -7.832 11.091 1.00 0.00 H new ATOM 0 HE22 GLN B 160 121.314 -8.223 11.895 1.00 0.00 H new ATOM 2137 N VAL B 161 118.818 -5.423 8.277 1.00 0.00 N ATOM 2138 CA VAL B 161 117.617 -5.391 9.033 1.00 0.00 C ATOM 2139 C VAL B 161 117.138 -6.813 9.205 1.00 0.00 C ATOM 2140 O VAL B 161 116.608 -7.181 10.267 1.00 0.00 O ATOM 2141 CB VAL B 161 116.503 -4.493 8.398 1.00 0.00 C ATOM 2142 CG1 VAL B 161 117.009 -3.110 8.103 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.947 -5.072 7.138 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.391 -7.610 8.302 1.00 0.00 O ATOM 0 H VAL B 161 118.722 -5.816 7.341 1.00 0.00 H new ATOM 0 HA VAL B 161 117.831 -4.934 9.999 1.00 0.00 H new ATOM 0 HB VAL B 161 115.709 -4.446 9.143 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.208 -2.516 7.663 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.344 -2.640 9.028 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.843 -3.169 7.404 1.00 0.00 H new ATOM 0 HG21 VAL B 161 115.179 -4.409 6.741 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.746 -5.182 6.405 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.510 -6.048 7.348 1.00 0.00 H new