USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 720 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 34 LYS NZ :NH3+ -129:sc= 0.0563 (180deg=-0.119) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.28! C(o=-2.2!,f=-3!) USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= -0.582 (180deg=-2.17!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0112 K(o=-0.011,f=-5.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.44 K(o=-0.44,f=-3.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.9) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.472 F(o=-1.4,f=-0.47) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 68 HIS : no HE2:sc= 0.027 X(o=0.027,f=-0.34) USER MOD Single : A 69 LYS NZ :NH3+ -132:sc= -0.191 (180deg=-0.783) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00134 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.067 F(o=-0.74,f=-0.067) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 151:sc= 1.15 USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= -2.24 (180deg=-2.77!) USER MOD Single : A 87 THR OG1 : rot -82:sc= 0.209 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 92 ASN : amide:sc= -1.81 K(o=-1.8,f=-11!) USER MOD Single : A 100 ASN : amide:sc= -1.04 K(o=-1,f=-6.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.905 1.585 7.818 1.00 0.00 N ATOM 119 CA VAL A 11 -20.506 1.718 6.422 1.00 0.00 C ATOM 120 C VAL A 11 -20.212 0.357 5.802 1.00 0.00 C ATOM 121 O VAL A 11 -20.182 -0.660 6.495 1.00 0.00 O ATOM 122 CB VAL A 11 -19.262 2.615 6.278 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.502 3.970 6.925 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.043 1.935 6.883 1.00 0.00 C ATOM 0 HA VAL A 11 -21.342 2.180 5.896 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.072 2.775 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.612 4.589 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.348 4.459 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.718 3.834 7.985 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.173 2.582 6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.221 1.743 7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.860 0.991 6.369 1.00 0.00 H new ATOM 134 N LYS A 12 -19.996 0.345 4.491 1.00 0.00 N ATOM 135 CA LYS A 12 -19.702 -0.891 3.775 1.00 0.00 C ATOM 136 C LYS A 12 -18.280 -1.361 4.061 1.00 0.00 C ATOM 137 O LYS A 12 -17.312 -0.698 3.690 1.00 0.00 O ATOM 138 CB LYS A 12 -19.892 -0.690 2.270 1.00 0.00 C ATOM 139 CG LYS A 12 -21.320 -0.909 1.802 1.00 0.00 C ATOM 140 CD LYS A 12 -21.394 -1.069 0.293 1.00 0.00 C ATOM 141 CE LYS A 12 -21.044 -2.486 -0.135 1.00 0.00 C ATOM 142 NZ LYS A 12 -19.581 -2.656 -0.350 1.00 0.00 N ATOM 0 H LYS A 12 -20.019 1.178 3.902 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.395 -1.657 4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.583 0.321 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.234 -1.375 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.729 -1.797 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.938 -0.066 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.398 -0.821 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.711 -0.365 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.383 -3.189 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.577 -2.730 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.420 -3.291 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.149 -1.730 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.150 -3.065 0.503 1.00 0.00 H new ATOM 156 N GLU A 13 -18.162 -2.509 4.721 1.00 0.00 N ATOM 157 CA GLU A 13 -16.856 -3.067 5.055 1.00 0.00 C ATOM 158 C GLU A 13 -16.148 -3.581 3.805 1.00 0.00 C ATOM 159 O GLU A 13 -16.602 -4.531 3.167 1.00 0.00 O ATOM 160 CB GLU A 13 -17.006 -4.200 6.072 1.00 0.00 C ATOM 161 CG GLU A 13 -17.847 -5.362 5.570 1.00 0.00 C ATOM 162 CD GLU A 13 -18.430 -6.191 6.697 1.00 0.00 C ATOM 163 OE1 GLU A 13 -19.215 -5.637 7.495 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.102 -7.392 6.782 1.00 0.00 O ATOM 0 H GLU A 13 -18.954 -3.070 5.035 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.251 -2.273 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.016 -4.569 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.456 -3.803 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.657 -4.978 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.234 -6.001 4.934 1.00 0.00 H new ATOM 171 N LEU A 14 -15.034 -2.945 3.461 1.00 0.00 N ATOM 172 CA LEU A 14 -14.261 -3.337 2.287 1.00 0.00 C ATOM 173 C LEU A 14 -13.055 -4.180 2.685 1.00 0.00 C ATOM 174 O LEU A 14 -12.646 -4.191 3.847 1.00 0.00 O ATOM 175 CB LEU A 14 -13.800 -2.097 1.518 1.00 0.00 C ATOM 176 CG LEU A 14 -14.886 -1.074 1.182 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.267 0.189 0.602 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.897 -1.668 0.213 1.00 0.00 C ATOM 0 H LEU A 14 -14.646 -2.156 3.978 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.904 -3.938 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.027 -1.598 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.335 -2.423 0.587 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.407 -0.810 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.054 0.906 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.582 0.626 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.720 -0.058 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.662 -0.926 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.391 -1.961 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.364 -2.543 0.665 1.00 0.00 H new ATOM 190 N THR A 15 -12.485 -4.886 1.713 1.00 0.00 N ATOM 191 CA THR A 15 -11.325 -5.732 1.961 1.00 0.00 C ATOM 192 C THR A 15 -10.095 -5.206 1.231 1.00 0.00 C ATOM 193 O THR A 15 -9.855 -5.547 0.072 1.00 0.00 O ATOM 194 CB THR A 15 -11.585 -7.186 1.524 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.661 -7.742 2.287 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.336 -8.036 1.703 1.00 0.00 C ATOM 0 H THR A 15 -12.809 -4.888 0.746 1.00 0.00 H new ATOM 0 HA THR A 15 -11.143 -5.711 3.036 1.00 0.00 H new ATOM 0 HB THR A 15 -11.854 -7.182 0.468 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.821 -8.666 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.544 -9.059 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.527 -7.627 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.041 -8.032 2.752 1.00 0.00 H new ATOM 204 N VAL A 16 -9.317 -4.373 1.915 1.00 0.00 N ATOM 205 CA VAL A 16 -8.109 -3.800 1.331 1.00 0.00 C ATOM 206 C VAL A 16 -6.899 -4.690 1.590 1.00 0.00 C ATOM 207 O VAL A 16 -6.472 -4.859 2.732 1.00 0.00 O ATOM 208 CB VAL A 16 -7.828 -2.393 1.891 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.524 -1.846 1.329 1.00 0.00 C ATOM 210 CG2 VAL A 16 -8.986 -1.456 1.583 1.00 0.00 C ATOM 0 H VAL A 16 -9.501 -4.080 2.874 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.280 -3.727 0.257 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.728 -2.465 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.342 -0.851 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.703 -2.507 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.592 -1.787 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.770 -0.466 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.121 -1.387 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.898 -1.842 2.038 1.00 0.00 H new ATOM 220 N SER A 17 -6.349 -5.257 0.521 1.00 0.00 N ATOM 221 CA SER A 17 -5.188 -6.133 0.632 1.00 0.00 C ATOM 222 C SER A 17 -4.132 -5.770 -0.407 1.00 0.00 C ATOM 223 O SER A 17 -4.415 -5.714 -1.603 1.00 0.00 O ATOM 224 CB SER A 17 -5.608 -7.594 0.459 1.00 0.00 C ATOM 225 OG SER A 17 -4.600 -8.473 0.929 1.00 0.00 O ATOM 0 H SER A 17 -6.689 -5.126 -0.432 1.00 0.00 H new ATOM 0 HA SER A 17 -4.757 -6.000 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.536 -7.776 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.809 -7.796 -0.593 1.00 0.00 H new ATOM 0 HG SER A 17 -4.893 -9.401 0.809 1.00 0.00 H new ATOM 231 N ALA A 18 -2.912 -5.523 0.061 1.00 0.00 N ATOM 232 CA ALA A 18 -1.812 -5.166 -0.826 1.00 0.00 C ATOM 233 C ALA A 18 -1.390 -6.355 -1.683 1.00 0.00 C ATOM 234 O ALA A 18 -1.115 -6.208 -2.873 1.00 0.00 O ATOM 235 CB ALA A 18 -0.630 -4.649 -0.020 1.00 0.00 C ATOM 0 H ALA A 18 -2.661 -5.564 1.049 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.157 -4.375 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.184 -4.386 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.932 -3.767 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.294 -5.423 0.670 1.00 0.00 H new ATOM 241 N GLY A 19 -1.342 -7.534 -1.069 1.00 0.00 N ATOM 242 CA GLY A 19 -0.952 -8.730 -1.792 1.00 0.00 C ATOM 243 C GLY A 19 -0.172 -9.701 -0.927 1.00 0.00 C ATOM 244 O GLY A 19 -0.688 -10.748 -0.536 1.00 0.00 O ATOM 0 H GLY A 19 -1.566 -7.682 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.843 -9.226 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.347 -8.449 -2.654 1.00 0.00 H new ATOM 248 N ASP A 20 1.075 -9.354 -0.628 1.00 0.00 N ATOM 249 CA ASP A 20 1.929 -10.203 0.195 1.00 0.00 C ATOM 250 C ASP A 20 3.257 -9.513 0.492 1.00 0.00 C ATOM 251 O ASP A 20 3.675 -8.612 -0.233 1.00 0.00 O ATOM 252 CB ASP A 20 2.179 -11.541 -0.502 1.00 0.00 C ATOM 253 CG ASP A 20 2.839 -12.555 0.411 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.235 -12.902 1.447 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.961 -13.002 0.090 1.00 0.00 O ATOM 0 H ASP A 20 1.517 -8.491 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 20 1.416 -10.385 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.232 -11.943 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.809 -11.380 -1.377 1.00 0.00 H new ATOM 260 N ASN A 21 3.915 -9.944 1.563 1.00 0.00 N ATOM 261 CA ASN A 21 5.195 -9.367 1.957 1.00 0.00 C ATOM 262 C ASN A 21 6.182 -9.388 0.794 1.00 0.00 C ATOM 263 O ASN A 21 6.278 -10.376 0.065 1.00 0.00 O ATOM 264 CB ASN A 21 5.777 -10.130 3.149 1.00 0.00 C ATOM 265 CG ASN A 21 5.773 -11.631 2.932 1.00 0.00 C ATOM 266 OD1 ASN A 21 4.729 -12.228 2.668 1.00 0.00 O ATOM 267 ND2 ASN A 21 6.943 -12.248 3.043 1.00 0.00 N ATOM 0 H ASN A 21 3.583 -10.691 2.173 1.00 0.00 H new ATOM 0 HA ASN A 21 5.024 -8.330 2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.798 -9.794 3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.202 -9.893 4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.002 -13.257 2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.783 -11.713 3.263 1.00 0.00 H new ATOM 274 N LEU A 22 6.914 -8.292 0.627 1.00 0.00 N ATOM 275 CA LEU A 22 7.896 -8.184 -0.447 1.00 0.00 C ATOM 276 C LEU A 22 9.309 -8.067 0.116 1.00 0.00 C ATOM 277 O LEU A 22 9.532 -7.394 1.122 1.00 0.00 O ATOM 278 CB LEU A 22 7.584 -6.975 -1.330 1.00 0.00 C ATOM 279 CG LEU A 22 6.157 -6.890 -1.873 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.657 -8.268 -2.277 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.229 -6.266 -0.840 1.00 0.00 C ATOM 0 H LEU A 22 6.846 -7.466 1.221 1.00 0.00 H new ATOM 0 HA LEU A 22 7.840 -9.090 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.788 -6.070 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.273 -6.980 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 22 6.163 -6.254 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.640 -8.188 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.306 -8.678 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.666 -8.927 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.218 -6.214 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.228 -6.876 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.576 -5.261 -0.599 1.00 0.00 H new ATOM 293 N ILE A 23 10.258 -8.724 -0.541 1.00 0.00 N ATOM 294 CA ILE A 23 11.650 -8.690 -0.108 1.00 0.00 C ATOM 295 C ILE A 23 12.582 -8.396 -1.278 1.00 0.00 C ATOM 296 O ILE A 23 12.609 -9.133 -2.264 1.00 0.00 O ATOM 297 CB ILE A 23 12.068 -10.020 0.546 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.192 -10.312 1.766 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.537 -9.977 0.941 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.431 -11.678 2.369 1.00 0.00 C ATOM 0 H ILE A 23 10.089 -9.286 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 23 11.733 -7.891 0.629 1.00 0.00 H new ATOM 0 HB ILE A 23 11.929 -10.823 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.376 -9.552 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.144 -10.229 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.818 -10.924 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.148 -9.810 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.699 -9.166 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.776 -11.816 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.219 -12.446 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.470 -11.758 2.688 1.00 0.00 H new ATOM 312 N ILE A 24 13.347 -7.316 -1.160 1.00 0.00 N ATOM 313 CA ILE A 24 14.284 -6.927 -2.207 1.00 0.00 C ATOM 314 C ILE A 24 15.724 -6.998 -1.710 1.00 0.00 C ATOM 315 O ILE A 24 15.974 -7.110 -0.510 1.00 0.00 O ATOM 316 CB ILE A 24 13.999 -5.501 -2.716 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.446 -4.633 -1.584 1.00 0.00 C ATOM 318 CG2 ILE A 24 13.024 -5.541 -3.884 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.261 -3.182 -1.971 1.00 0.00 C ATOM 0 H ILE A 24 13.337 -6.695 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 24 14.150 -7.631 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 24 14.934 -5.061 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.488 -5.039 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.121 -4.690 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.832 -4.526 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.453 -6.129 -4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.088 -5.997 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.866 -2.626 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.221 -2.759 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.562 -3.114 -2.805 1.00 0.00 H new ATOM 331 N THR A 25 16.670 -6.931 -2.642 1.00 0.00 N ATOM 332 CA THR A 25 18.085 -6.987 -2.300 1.00 0.00 C ATOM 333 C THR A 25 18.877 -5.930 -3.060 1.00 0.00 C ATOM 334 O THR A 25 18.712 -5.766 -4.270 1.00 0.00 O ATOM 335 CB THR A 25 18.682 -8.375 -2.602 1.00 0.00 C ATOM 336 OG1 THR A 25 17.977 -9.382 -1.866 1.00 0.00 O ATOM 337 CG2 THR A 25 20.159 -8.419 -2.244 1.00 0.00 C ATOM 0 H THR A 25 16.481 -6.838 -3.640 1.00 0.00 H new ATOM 0 HA THR A 25 18.159 -6.793 -1.230 1.00 0.00 H new ATOM 0 HB THR A 25 18.578 -8.566 -3.670 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.361 -10.261 -2.064 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.558 -9.409 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.697 -7.672 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.282 -8.208 -1.182 1.00 0.00 H new ATOM 345 N LEU A 26 19.738 -5.214 -2.345 1.00 0.00 N ATOM 346 CA LEU A 26 20.558 -4.172 -2.954 1.00 0.00 C ATOM 347 C LEU A 26 21.341 -4.719 -4.143 1.00 0.00 C ATOM 348 O LEU A 26 21.614 -5.916 -4.240 1.00 0.00 O ATOM 349 CB LEU A 26 21.521 -3.585 -1.920 1.00 0.00 C ATOM 350 CG LEU A 26 20.910 -2.619 -0.905 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.999 -1.961 -0.072 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.066 -1.567 -1.610 1.00 0.00 C ATOM 0 H LEU A 26 19.886 -5.336 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 26 19.895 -3.385 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.983 -4.408 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.319 -3.066 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 26 20.263 -3.187 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.545 -1.277 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.561 -2.727 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.673 -1.407 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.639 -0.888 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.691 -1.003 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.262 -2.055 -2.162 1.00 0.00 H new ATOM 364 N PRO A 27 21.713 -3.823 -5.069 1.00 0.00 N ATOM 365 CA PRO A 27 21.393 -2.397 -4.964 1.00 0.00 C ATOM 366 C PRO A 27 19.905 -2.121 -5.154 1.00 0.00 C ATOM 367 O PRO A 27 19.385 -1.115 -4.671 1.00 0.00 O ATOM 368 CB PRO A 27 22.203 -1.767 -6.101 1.00 0.00 C ATOM 369 CG PRO A 27 22.382 -2.865 -7.091 1.00 0.00 C ATOM 370 CD PRO A 27 22.474 -4.135 -6.290 1.00 0.00 C ATOM 0 HA PRO A 27 21.633 -1.997 -3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.676 -0.920 -6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.163 -1.395 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.544 -2.903 -7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.283 -2.712 -7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 27 22.044 -4.981 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.508 -4.394 -6.064 1.00 0.00 H new ATOM 378 N ASP A 28 19.227 -3.019 -5.860 1.00 0.00 N ATOM 379 CA ASP A 28 17.798 -2.873 -6.112 1.00 0.00 C ATOM 380 C ASP A 28 17.076 -2.367 -4.867 1.00 0.00 C ATOM 381 O ASP A 28 16.898 -3.105 -3.898 1.00 0.00 O ATOM 382 CB ASP A 28 17.198 -4.207 -6.559 1.00 0.00 C ATOM 383 CG ASP A 28 17.243 -4.386 -8.063 1.00 0.00 C ATOM 384 OD1 ASP A 28 16.635 -3.562 -8.778 1.00 0.00 O ATOM 385 OD2 ASP A 28 17.886 -5.351 -8.526 1.00 0.00 O ATOM 0 H ASP A 28 19.644 -3.856 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 28 17.667 -2.141 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.740 -5.024 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.164 -4.269 -6.219 1.00 0.00 H new ATOM 390 N ASN A 29 16.662 -1.105 -4.900 1.00 0.00 N ATOM 391 CA ASN A 29 15.960 -0.500 -3.774 1.00 0.00 C ATOM 392 C ASN A 29 14.609 0.058 -4.211 1.00 0.00 C ATOM 393 O ASN A 29 14.082 0.984 -3.596 1.00 0.00 O ATOM 394 CB ASN A 29 16.809 0.613 -3.156 1.00 0.00 C ATOM 395 CG ASN A 29 17.272 1.626 -4.185 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.555 1.933 -5.137 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.478 2.150 -3.998 1.00 0.00 N ATOM 0 H ASN A 29 16.801 -0.481 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 29 15.788 -1.274 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.231 1.121 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.678 0.174 -2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.844 2.836 -4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.038 1.866 -3.194 1.00 0.00 H new ATOM 404 N GLU A 30 14.056 -0.513 -5.276 1.00 0.00 N ATOM 405 CA GLU A 30 12.766 -0.072 -5.795 1.00 0.00 C ATOM 406 C GLU A 30 11.740 -1.200 -5.733 1.00 0.00 C ATOM 407 O GLU A 30 12.032 -2.341 -6.093 1.00 0.00 O ATOM 408 CB GLU A 30 12.913 0.420 -7.237 1.00 0.00 C ATOM 409 CG GLU A 30 14.027 1.436 -7.423 1.00 0.00 C ATOM 410 CD GLU A 30 14.085 1.986 -8.834 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.009 2.231 -9.420 1.00 0.00 O ATOM 412 OE2 GLU A 30 15.205 2.171 -9.354 1.00 0.00 O ATOM 0 H GLU A 30 14.480 -1.281 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 30 12.414 0.750 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.101 -0.435 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.971 0.864 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.884 2.258 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.982 0.971 -7.179 1.00 0.00 H new ATOM 419 N VAL A 31 10.537 -0.873 -5.272 1.00 0.00 N ATOM 420 CA VAL A 31 9.467 -1.857 -5.162 1.00 0.00 C ATOM 421 C VAL A 31 8.106 -1.220 -5.419 1.00 0.00 C ATOM 422 O VAL A 31 7.840 -0.102 -4.979 1.00 0.00 O ATOM 423 CB VAL A 31 9.456 -2.522 -3.773 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.340 -1.471 -2.679 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.323 -3.532 -3.675 1.00 0.00 C ATOM 0 H VAL A 31 10.279 0.066 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 31 9.658 -2.618 -5.919 1.00 0.00 H new ATOM 0 HB VAL A 31 10.398 -3.053 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.334 -1.959 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.189 -0.789 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.414 -0.910 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.330 -3.992 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.370 -3.027 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.455 -4.302 -4.435 1.00 0.00 H new ATOM 435 N GLU A 32 7.247 -1.940 -6.135 1.00 0.00 N ATOM 436 CA GLU A 32 5.913 -1.443 -6.451 1.00 0.00 C ATOM 437 C GLU A 32 4.849 -2.206 -5.667 1.00 0.00 C ATOM 438 O GLU A 32 4.841 -3.438 -5.645 1.00 0.00 O ATOM 439 CB GLU A 32 5.642 -1.565 -7.952 1.00 0.00 C ATOM 440 CG GLU A 32 4.172 -1.440 -8.317 1.00 0.00 C ATOM 441 CD GLU A 32 3.457 -2.778 -8.326 1.00 0.00 C ATOM 442 OE1 GLU A 32 4.011 -3.743 -8.892 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.344 -2.859 -7.766 1.00 0.00 O ATOM 0 H GLU A 32 7.451 -2.868 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 32 5.867 -0.392 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.205 -0.794 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.014 -2.527 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.681 -0.774 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.084 -0.978 -9.300 1.00 0.00 H new ATOM 450 N LEU A 33 3.953 -1.466 -5.024 1.00 0.00 N ATOM 451 CA LEU A 33 2.884 -2.071 -4.237 1.00 0.00 C ATOM 452 C LEU A 33 1.515 -1.657 -4.768 1.00 0.00 C ATOM 453 O LEU A 33 1.299 -0.497 -5.121 1.00 0.00 O ATOM 454 CB LEU A 33 3.015 -1.670 -2.767 1.00 0.00 C ATOM 455 CG LEU A 33 4.427 -1.719 -2.181 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.573 -0.710 -1.053 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.752 -3.122 -1.690 1.00 0.00 C ATOM 0 H LEU A 33 3.945 -0.446 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 33 2.974 -3.154 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.630 -0.657 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.374 -2.323 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 33 5.135 -1.458 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.584 -0.760 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.384 0.293 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.856 -0.939 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.760 -3.138 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.039 -3.412 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.690 -3.822 -2.523 1.00 0.00 H new ATOM 469 N LYS A 34 0.593 -2.612 -4.822 1.00 0.00 N ATOM 470 CA LYS A 34 -0.756 -2.347 -5.306 1.00 0.00 C ATOM 471 C LYS A 34 -1.791 -2.649 -4.227 1.00 0.00 C ATOM 472 O LYS A 34 -1.661 -3.621 -3.484 1.00 0.00 O ATOM 473 CB LYS A 34 -1.046 -3.185 -6.554 1.00 0.00 C ATOM 474 CG LYS A 34 -2.374 -2.855 -7.213 1.00 0.00 C ATOM 475 CD LYS A 34 -2.532 -3.578 -8.541 1.00 0.00 C ATOM 476 CE LYS A 34 -3.457 -2.820 -9.481 1.00 0.00 C ATOM 477 NZ LYS A 34 -2.733 -1.764 -10.241 1.00 0.00 N ATOM 0 H LYS A 34 0.756 -3.577 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.822 -1.289 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.244 -3.035 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.037 -4.241 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.191 -3.133 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.445 -1.779 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.555 -3.699 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.928 -4.578 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.917 -3.519 -10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.264 -2.365 -8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.240 -0.861 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.771 -1.661 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.682 -2.032 -11.245 1.00 0.00 H new ATOM 491 N ALA A 35 -2.819 -1.810 -4.148 1.00 0.00 N ATOM 492 CA ALA A 35 -3.877 -1.989 -3.162 1.00 0.00 C ATOM 493 C ALA A 35 -5.129 -2.580 -3.802 1.00 0.00 C ATOM 494 O ALA A 35 -5.804 -1.921 -4.593 1.00 0.00 O ATOM 495 CB ALA A 35 -4.201 -0.664 -2.488 1.00 0.00 C ATOM 0 H ALA A 35 -2.941 -1.000 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.521 -2.690 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.993 -0.813 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.310 -0.283 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.532 0.054 -3.238 1.00 0.00 H new ATOM 501 N PHE A 36 -5.434 -3.826 -3.454 1.00 0.00 N ATOM 502 CA PHE A 36 -6.604 -4.506 -3.996 1.00 0.00 C ATOM 503 C PHE A 36 -7.805 -4.343 -3.070 1.00 0.00 C ATOM 504 O PHE A 36 -7.733 -4.653 -1.881 1.00 0.00 O ATOM 505 CB PHE A 36 -6.305 -5.992 -4.206 1.00 0.00 C ATOM 506 CG PHE A 36 -5.516 -6.275 -5.452 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.153 -6.410 -6.676 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.138 -6.406 -5.401 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.430 -6.669 -7.825 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.410 -6.666 -6.546 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.056 -6.799 -7.760 1.00 0.00 C ATOM 0 H PHE A 36 -4.887 -4.385 -2.799 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.844 -4.052 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.755 -6.369 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.246 -6.541 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.227 -6.312 -6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.627 -6.304 -4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.938 -6.770 -8.773 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.336 -6.765 -6.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.489 -7.004 -8.656 1.00 0.00 H new ATOM 521 N VAL A 37 -8.910 -3.854 -3.624 1.00 0.00 N ATOM 522 CA VAL A 37 -10.128 -3.650 -2.849 1.00 0.00 C ATOM 523 C VAL A 37 -11.270 -4.508 -3.383 1.00 0.00 C ATOM 524 O VAL A 37 -11.625 -4.425 -4.558 1.00 0.00 O ATOM 525 CB VAL A 37 -10.562 -2.172 -2.864 1.00 0.00 C ATOM 526 CG1 VAL A 37 -11.829 -1.979 -2.046 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.441 -1.283 -2.344 1.00 0.00 C ATOM 0 H VAL A 37 -8.987 -3.592 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.904 -3.945 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.776 -1.884 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.120 -0.929 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.630 -2.587 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.646 -2.283 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.764 -0.242 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.194 -1.569 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.561 -1.400 -2.976 1.00 0.00 H new ATOM 537 N ALA A 38 -11.841 -5.332 -2.511 1.00 0.00 N ATOM 538 CA ALA A 38 -12.944 -6.204 -2.893 1.00 0.00 C ATOM 539 C ALA A 38 -14.170 -5.953 -2.022 1.00 0.00 C ATOM 540 O ALA A 38 -14.085 -5.883 -0.795 1.00 0.00 O ATOM 541 CB ALA A 38 -12.520 -7.663 -2.804 1.00 0.00 C ATOM 0 H ALA A 38 -11.558 -5.414 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.212 -5.978 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.354 -8.303 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.679 -7.839 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.223 -7.894 -1.781 1.00 0.00 H new ATOM 547 N PRO A 39 -15.337 -5.815 -2.667 1.00 0.00 N ATOM 548 CA PRO A 39 -15.450 -5.897 -4.126 1.00 0.00 C ATOM 549 C PRO A 39 -14.810 -4.702 -4.825 1.00 0.00 C ATOM 550 O PRO A 39 -14.401 -3.738 -4.178 1.00 0.00 O ATOM 551 CB PRO A 39 -16.962 -5.909 -4.365 1.00 0.00 C ATOM 552 CG PRO A 39 -17.539 -5.223 -3.175 1.00 0.00 C ATOM 553 CD PRO A 39 -16.638 -5.567 -2.022 1.00 0.00 C ATOM 0 HA PRO A 39 -14.935 -6.770 -4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.221 -5.388 -5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.340 -6.927 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.582 -4.145 -3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.559 -5.559 -2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.580 -4.752 -1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.993 -6.445 -1.483 1.00 0.00 H new ATOM 561 N ALA A 40 -14.727 -4.772 -6.149 1.00 0.00 N ATOM 562 CA ALA A 40 -14.139 -3.694 -6.936 1.00 0.00 C ATOM 563 C ALA A 40 -15.169 -2.612 -7.241 1.00 0.00 C ATOM 564 O ALA A 40 -16.345 -2.890 -7.474 1.00 0.00 O ATOM 565 CB ALA A 40 -13.549 -4.244 -8.226 1.00 0.00 C ATOM 0 H ALA A 40 -15.059 -5.564 -6.700 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.340 -3.242 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.114 -3.429 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.776 -4.975 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.335 -4.723 -8.810 1.00 0.00 H new ATOM 571 N PRO A 41 -14.719 -1.349 -7.240 1.00 0.00 N ATOM 572 CA PRO A 41 -15.586 -0.199 -7.515 1.00 0.00 C ATOM 573 C PRO A 41 -16.030 -0.144 -8.973 1.00 0.00 C ATOM 574 O PRO A 41 -15.347 -0.633 -9.874 1.00 0.00 O ATOM 575 CB PRO A 41 -14.700 1.003 -7.180 1.00 0.00 C ATOM 576 CG PRO A 41 -13.306 0.508 -7.361 1.00 0.00 C ATOM 577 CD PRO A 41 -13.329 -0.945 -6.971 1.00 0.00 C ATOM 0 HA PRO A 41 -16.510 -0.238 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.910 1.845 -7.839 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.869 1.347 -6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.980 0.630 -8.394 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.609 1.068 -6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.620 -1.530 -7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.066 -1.084 -5.922 1.00 0.00 H new ATOM 585 N PRO A 42 -17.200 0.466 -9.214 1.00 0.00 N ATOM 586 CA PRO A 42 -17.760 0.601 -10.562 1.00 0.00 C ATOM 587 C PRO A 42 -16.964 1.573 -11.426 1.00 0.00 C ATOM 588 O PRO A 42 -15.889 2.029 -11.036 1.00 0.00 O ATOM 589 CB PRO A 42 -19.169 1.142 -10.308 1.00 0.00 C ATOM 590 CG PRO A 42 -19.076 1.840 -8.995 1.00 0.00 C ATOM 591 CD PRO A 42 -18.066 1.072 -8.188 1.00 0.00 C ATOM 0 HA PRO A 42 -17.743 -0.343 -11.107 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.479 1.825 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.903 0.337 -10.277 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.765 2.876 -9.125 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -20.044 1.858 -8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.503 1.726 -7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.541 0.315 -7.565 1.00 0.00 H new ATOM 599 N VAL A 43 -17.498 1.887 -12.602 1.00 0.00 N ATOM 600 CA VAL A 43 -16.838 2.807 -13.520 1.00 0.00 C ATOM 601 C VAL A 43 -17.002 4.252 -13.063 1.00 0.00 C ATOM 602 O VAL A 43 -16.126 5.086 -13.287 1.00 0.00 O ATOM 603 CB VAL A 43 -17.393 2.666 -14.950 1.00 0.00 C ATOM 604 CG1 VAL A 43 -18.886 2.958 -14.975 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.646 3.586 -15.904 1.00 0.00 C ATOM 0 H VAL A 43 -18.386 1.518 -12.941 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.779 2.548 -13.521 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.243 1.638 -15.280 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.260 2.853 -15.993 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -19.405 2.255 -14.324 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -19.064 3.975 -14.626 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.051 3.474 -16.910 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.763 4.620 -15.579 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.588 3.325 -15.908 1.00 0.00 H new ATOM 615 N GLU A 44 -18.130 4.540 -12.422 1.00 0.00 N ATOM 616 CA GLU A 44 -18.408 5.886 -11.933 1.00 0.00 C ATOM 617 C GLU A 44 -17.708 6.136 -10.601 1.00 0.00 C ATOM 618 O GLU A 44 -16.769 6.930 -10.518 1.00 0.00 O ATOM 619 CB GLU A 44 -19.916 6.094 -11.777 1.00 0.00 C ATOM 620 CG GLU A 44 -20.709 5.765 -13.031 1.00 0.00 C ATOM 621 CD GLU A 44 -21.150 4.315 -13.078 1.00 0.00 C ATOM 622 OE1 GLU A 44 -21.212 3.677 -12.006 1.00 0.00 O ATOM 623 OE2 GLU A 44 -21.433 3.818 -14.188 1.00 0.00 O ATOM 0 H GLU A 44 -18.866 3.860 -12.229 1.00 0.00 H new ATOM 0 HA GLU A 44 -18.024 6.598 -12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.277 5.474 -10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.104 7.131 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -21.587 6.410 -13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.101 5.985 -13.909 1.00 0.00 H new ATOM 630 N THR A 45 -18.172 5.455 -9.558 1.00 0.00 N ATOM 631 CA THR A 45 -17.593 5.604 -8.229 1.00 0.00 C ATOM 632 C THR A 45 -16.118 5.217 -8.225 1.00 0.00 C ATOM 633 O THR A 45 -15.710 4.276 -8.906 1.00 0.00 O ATOM 634 CB THR A 45 -18.340 4.744 -7.191 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.747 4.998 -7.267 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.841 5.040 -5.785 1.00 0.00 C ATOM 0 H THR A 45 -18.948 4.795 -9.608 1.00 0.00 H new ATOM 0 HA THR A 45 -17.691 6.655 -7.958 1.00 0.00 H new ATOM 0 HB THR A 45 -18.148 3.694 -7.414 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.215 4.447 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.382 4.422 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.776 4.819 -5.723 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.007 6.092 -5.554 1.00 0.00 H new ATOM 644 N THR A 46 -15.321 5.949 -7.453 1.00 0.00 N ATOM 645 CA THR A 46 -13.891 5.683 -7.360 1.00 0.00 C ATOM 646 C THR A 46 -13.404 5.790 -5.920 1.00 0.00 C ATOM 647 O THR A 46 -13.781 6.709 -5.193 1.00 0.00 O ATOM 648 CB THR A 46 -13.081 6.655 -8.238 1.00 0.00 C ATOM 649 OG1 THR A 46 -13.521 7.999 -8.015 1.00 0.00 O ATOM 650 CG2 THR A 46 -13.229 6.306 -9.711 1.00 0.00 C ATOM 0 H THR A 46 -15.642 6.731 -6.883 1.00 0.00 H new ATOM 0 HA THR A 46 -13.735 4.665 -7.718 1.00 0.00 H new ATOM 0 HB THR A 46 -12.030 6.567 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.000 8.611 -8.576 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.648 7.006 -10.311 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.866 5.293 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.279 6.368 -9.996 1.00 0.00 H new ATOM 658 N TYR A 47 -12.563 4.845 -5.514 1.00 0.00 N ATOM 659 CA TYR A 47 -12.024 4.833 -4.158 1.00 0.00 C ATOM 660 C TYR A 47 -10.720 5.621 -4.083 1.00 0.00 C ATOM 661 O TYR A 47 -10.060 5.847 -5.095 1.00 0.00 O ATOM 662 CB TYR A 47 -11.792 3.394 -3.693 1.00 0.00 C ATOM 663 CG TYR A 47 -13.061 2.579 -3.588 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.222 3.129 -3.058 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.099 1.259 -4.019 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.383 2.388 -2.959 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.256 0.510 -3.925 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.395 1.079 -3.394 1.00 0.00 C ATOM 669 OH TYR A 47 -16.551 0.337 -3.299 1.00 0.00 O ATOM 0 H TYR A 47 -12.240 4.078 -6.103 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.752 5.308 -3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.111 2.902 -4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.299 3.410 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.216 4.154 -2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.209 0.811 -4.435 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.276 2.831 -2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.269 -0.515 -4.265 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.391 -0.564 -3.650 1.00 0.00 H new ATOM 679 N ASN A 48 -10.357 6.036 -2.873 1.00 0.00 N ATOM 680 CA ASN A 48 -9.132 6.799 -2.664 1.00 0.00 C ATOM 681 C ASN A 48 -8.060 5.936 -2.004 1.00 0.00 C ATOM 682 O ASN A 48 -8.348 5.155 -1.098 1.00 0.00 O ATOM 683 CB ASN A 48 -9.415 8.030 -1.800 1.00 0.00 C ATOM 684 CG ASN A 48 -10.179 9.101 -2.553 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.584 9.972 -3.189 1.00 0.00 O ATOM 686 ND2 ASN A 48 -11.503 9.043 -2.483 1.00 0.00 N ATOM 0 H ASN A 48 -10.893 5.857 -2.024 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.764 7.123 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.986 7.730 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.472 8.444 -1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.070 9.738 -2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.953 8.303 -1.944 1.00 0.00 H new ATOM 693 N TYR A 49 -6.823 6.084 -2.466 1.00 0.00 N ATOM 694 CA TYR A 49 -5.708 5.318 -1.923 1.00 0.00 C ATOM 695 C TYR A 49 -4.716 6.231 -1.208 1.00 0.00 C ATOM 696 O TYR A 49 -3.994 6.998 -1.844 1.00 0.00 O ATOM 697 CB TYR A 49 -4.998 4.550 -3.039 1.00 0.00 C ATOM 698 CG TYR A 49 -5.923 3.674 -3.854 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.240 2.387 -3.437 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.480 4.134 -5.041 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.084 1.583 -4.179 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.326 3.338 -5.789 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.624 2.064 -5.354 1.00 0.00 C ATOM 704 OH TYR A 49 -8.466 1.267 -6.096 1.00 0.00 O ATOM 0 H TYR A 49 -6.568 6.727 -3.215 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.107 4.608 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.507 5.262 -3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.216 3.930 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.819 2.009 -2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.248 5.131 -5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.319 0.585 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.751 3.711 -6.709 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.760 1.755 -6.893 1.00 0.00 H new ATOM 714 N GLU A 50 -4.688 6.141 0.118 1.00 0.00 N ATOM 715 CA GLU A 50 -3.785 6.959 0.919 1.00 0.00 C ATOM 716 C GLU A 50 -2.781 6.087 1.667 1.00 0.00 C ATOM 717 O GLU A 50 -3.127 5.423 2.644 1.00 0.00 O ATOM 718 CB GLU A 50 -4.578 7.810 1.913 1.00 0.00 C ATOM 719 CG GLU A 50 -3.708 8.520 2.936 1.00 0.00 C ATOM 720 CD GLU A 50 -4.466 8.874 4.201 1.00 0.00 C ATOM 721 OE1 GLU A 50 -4.626 7.987 5.065 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.900 10.038 4.326 1.00 0.00 O ATOM 0 H GLU A 50 -5.279 5.511 0.660 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.237 7.617 0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.156 8.552 1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.292 7.173 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.860 7.884 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.302 9.430 2.493 1.00 0.00 H new ATOM 729 N TRP A 51 -1.537 6.095 1.201 1.00 0.00 N ATOM 730 CA TRP A 51 -0.482 5.304 1.826 1.00 0.00 C ATOM 731 C TRP A 51 0.204 6.093 2.936 1.00 0.00 C ATOM 732 O TRP A 51 0.257 7.321 2.896 1.00 0.00 O ATOM 733 CB TRP A 51 0.546 4.872 0.780 1.00 0.00 C ATOM 734 CG TRP A 51 0.006 3.888 -0.213 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.649 4.174 -1.377 1.00 0.00 C ATOM 736 CD2 TRP A 51 0.073 2.460 -0.129 1.00 0.00 C ATOM 737 NE1 TRP A 51 -0.994 3.010 -2.021 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.562 1.945 -1.276 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.608 1.567 0.803 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.675 0.578 -1.513 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.495 0.210 0.566 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.141 -0.274 -0.584 1.00 0.00 C ATOM 0 H TRP A 51 -1.234 6.640 0.394 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.938 4.417 2.265 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.905 5.753 0.249 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.406 4.432 1.286 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.864 5.169 -1.738 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.491 2.949 -2.910 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.101 1.931 1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.167 0.203 -2.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.904 -0.489 1.280 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.212 -1.340 -0.741 1.00 0.00 H new ATOM 753 N ASN A 52 0.729 5.378 3.926 1.00 0.00 N ATOM 754 CA ASN A 52 1.412 6.012 5.048 1.00 0.00 C ATOM 755 C ASN A 52 2.353 5.030 5.737 1.00 0.00 C ATOM 756 O ASN A 52 1.998 3.874 5.974 1.00 0.00 O ATOM 757 CB ASN A 52 0.393 6.551 6.054 1.00 0.00 C ATOM 758 CG ASN A 52 -0.204 7.876 5.620 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.472 8.905 5.624 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.477 7.856 5.242 1.00 0.00 N ATOM 0 H ASN A 52 0.695 4.360 3.974 1.00 0.00 H new ATOM 0 HA ASN A 52 2.003 6.842 4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.406 5.821 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.874 6.673 7.024 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.933 8.717 4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.999 6.980 5.255 1.00 0.00 H new ATOM 767 N LEU A 53 3.555 5.496 6.058 1.00 0.00 N ATOM 768 CA LEU A 53 4.549 4.659 6.721 1.00 0.00 C ATOM 769 C LEU A 53 4.356 4.680 8.234 1.00 0.00 C ATOM 770 O LEU A 53 4.226 5.745 8.838 1.00 0.00 O ATOM 771 CB LEU A 53 5.960 5.133 6.369 1.00 0.00 C ATOM 772 CG LEU A 53 7.093 4.154 6.678 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.776 2.776 6.118 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.411 4.669 6.118 1.00 0.00 C ATOM 0 H LEU A 53 3.865 6.449 5.870 1.00 0.00 H new ATOM 0 HA LEU A 53 4.418 3.635 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.988 5.366 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.154 6.063 6.904 1.00 0.00 H new ATOM 0 HG LEU A 53 7.189 4.070 7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.594 2.093 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.855 2.404 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.651 2.842 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.206 3.959 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.327 4.783 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.645 5.634 6.568 1.00 0.00 H new ATOM 786 N ILE A 54 4.340 3.497 8.839 1.00 0.00 N ATOM 787 CA ILE A 54 4.166 3.380 10.282 1.00 0.00 C ATOM 788 C ILE A 54 5.315 2.600 10.912 1.00 0.00 C ATOM 789 O ILE A 54 5.897 3.030 11.908 1.00 0.00 O ATOM 790 CB ILE A 54 2.836 2.688 10.634 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.636 1.446 9.764 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.674 3.655 10.462 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.214 0.929 9.766 1.00 0.00 C ATOM 0 H ILE A 54 4.445 2.606 8.353 1.00 0.00 H new ATOM 0 HA ILE A 54 4.155 4.394 10.683 1.00 0.00 H new ATOM 0 HB ILE A 54 2.871 2.375 11.678 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.928 1.679 8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.301 0.657 10.113 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.741 3.151 10.715 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.813 4.512 11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.634 3.995 9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.146 0.048 9.128 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.925 0.664 10.783 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.545 1.702 9.388 1.00 0.00 H new ATOM 805 N SER A 55 5.636 1.452 10.325 1.00 0.00 N ATOM 806 CA SER A 55 6.714 0.611 10.831 1.00 0.00 C ATOM 807 C SER A 55 7.980 0.792 9.999 1.00 0.00 C ATOM 808 O SER A 55 8.149 0.156 8.958 1.00 0.00 O ATOM 809 CB SER A 55 6.290 -0.859 10.821 1.00 0.00 C ATOM 810 OG SER A 55 6.929 -1.582 11.859 1.00 0.00 O ATOM 0 H SER A 55 5.165 1.083 9.499 1.00 0.00 H new ATOM 0 HA SER A 55 6.927 0.914 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.208 -0.929 10.937 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.537 -1.305 9.858 1.00 0.00 H new ATOM 0 HG SER A 55 6.640 -2.518 11.832 1.00 0.00 H new ATOM 816 N HIS A 56 8.868 1.665 10.465 1.00 0.00 N ATOM 817 CA HIS A 56 10.119 1.931 9.766 1.00 0.00 C ATOM 818 C HIS A 56 11.212 2.345 10.746 1.00 0.00 C ATOM 819 O HIS A 56 10.960 3.013 11.749 1.00 0.00 O ATOM 820 CB HIS A 56 9.919 3.024 8.716 1.00 0.00 C ATOM 821 CG HIS A 56 9.471 4.332 9.291 1.00 0.00 C ATOM 822 ND1 HIS A 56 8.330 4.672 9.934 1.00 0.00 N flip ATOM 823 CD2 HIS A 56 10.235 5.479 9.236 1.00 0.00 C flip ATOM 824 CE1 HIS A 56 8.424 6.004 10.254 1.00 0.00 C flip ATOM 825 NE2 HIS A 56 9.583 6.467 9.822 1.00 0.00 N flip ATOM 0 H HIS A 56 8.744 2.200 11.324 1.00 0.00 H new ATOM 0 HA HIS A 56 10.430 1.012 9.269 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.855 3.175 8.178 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.183 2.686 7.987 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.213 5.557 8.785 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.673 6.579 10.774 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.918 7.425 9.924 1.00 0.00 H new ATOM 834 N PRO A 57 12.457 1.939 10.453 1.00 0.00 N ATOM 835 CA PRO A 57 13.613 2.257 11.296 1.00 0.00 C ATOM 836 C PRO A 57 13.978 3.736 11.246 1.00 0.00 C ATOM 837 O PRO A 57 13.932 4.363 10.186 1.00 0.00 O ATOM 838 CB PRO A 57 14.735 1.408 10.694 1.00 0.00 C ATOM 839 CG PRO A 57 14.333 1.200 9.274 1.00 0.00 C ATOM 840 CD PRO A 57 12.831 1.139 9.274 1.00 0.00 C ATOM 0 HA PRO A 57 13.420 2.048 12.348 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.697 1.917 10.763 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.838 0.459 11.219 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.691 2.014 8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.761 0.279 8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.412 1.554 8.357 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.470 0.113 9.353 1.00 0.00 H new ATOM 848 N THR A 58 14.343 4.291 12.398 1.00 0.00 N ATOM 849 CA THR A 58 14.716 5.697 12.485 1.00 0.00 C ATOM 850 C THR A 58 15.857 6.023 11.528 1.00 0.00 C ATOM 851 O THR A 58 15.996 7.160 11.078 1.00 0.00 O ATOM 852 CB THR A 58 15.136 6.079 13.917 1.00 0.00 C ATOM 853 OG1 THR A 58 14.891 7.471 14.144 1.00 0.00 O ATOM 854 CG2 THR A 58 16.608 5.773 14.149 1.00 0.00 C ATOM 0 H THR A 58 14.388 3.787 13.284 1.00 0.00 H new ATOM 0 HA THR A 58 13.835 6.276 12.206 1.00 0.00 H new ATOM 0 HB THR A 58 14.544 5.488 14.616 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.159 7.706 15.057 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.881 6.051 15.167 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.785 4.707 14.004 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.213 6.341 13.443 1.00 0.00 H new ATOM 862 N ASP A 59 16.671 5.019 11.222 1.00 0.00 N ATOM 863 CA ASP A 59 17.800 5.200 10.317 1.00 0.00 C ATOM 864 C ASP A 59 17.323 5.614 8.929 1.00 0.00 C ATOM 865 O ASP A 59 18.039 6.294 8.192 1.00 0.00 O ATOM 866 CB ASP A 59 18.618 3.911 10.225 1.00 0.00 C ATOM 867 CG ASP A 59 19.054 3.403 11.585 1.00 0.00 C ATOM 868 OD1 ASP A 59 19.272 4.238 12.488 1.00 0.00 O ATOM 869 OD2 ASP A 59 19.177 2.171 11.747 1.00 0.00 O ATOM 0 H ASP A 59 16.570 4.072 11.587 1.00 0.00 H new ATOM 0 HA ASP A 59 18.431 5.994 10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.026 3.143 9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.498 4.086 9.607 1.00 0.00 H new ATOM 874 N TYR A 60 16.111 5.201 8.578 1.00 0.00 N ATOM 875 CA TYR A 60 15.539 5.526 7.276 1.00 0.00 C ATOM 876 C TYR A 60 15.468 7.037 7.075 1.00 0.00 C ATOM 877 O TYR A 60 15.341 7.796 8.035 1.00 0.00 O ATOM 878 CB TYR A 60 14.143 4.917 7.142 1.00 0.00 C ATOM 879 CG TYR A 60 13.500 5.166 5.797 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.191 4.916 4.618 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.202 5.652 5.704 1.00 0.00 C ATOM 882 CE1 TYR A 60 13.608 5.142 3.386 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.610 5.881 4.477 1.00 0.00 C ATOM 884 CZ TYR A 60 12.318 5.625 3.321 1.00 0.00 C ATOM 885 OH TYR A 60 11.732 5.852 2.096 1.00 0.00 O ATOM 0 H TYR A 60 15.505 4.640 9.177 1.00 0.00 H new ATOM 0 HA TYR A 60 16.187 5.105 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.207 3.842 7.311 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.501 5.325 7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.202 4.538 4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.646 5.854 6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.159 4.942 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.599 6.258 4.423 1.00 0.00 H new ATOM 0 HH TYR A 60 10.822 6.190 2.227 1.00 0.00 H new ATOM 934 N ILE A 64 8.123 9.203 1.337 1.00 0.00 N ATOM 935 CA ILE A 64 7.055 8.691 0.488 1.00 0.00 C ATOM 936 C ILE A 64 6.046 9.784 0.153 1.00 0.00 C ATOM 937 O ILE A 64 6.039 10.849 0.771 1.00 0.00 O ATOM 938 CB ILE A 64 6.318 7.515 1.157 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.322 6.546 1.783 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.439 6.796 0.145 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.784 5.818 2.995 1.00 0.00 C ATOM 0 HA ILE A 64 7.524 8.340 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 64 5.680 7.908 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.624 5.814 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.218 7.098 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.925 5.968 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.704 7.492 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.058 6.412 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.550 5.148 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.509 6.542 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.906 5.238 2.711 1.00 0.00 H new ATOM 953 N LYS A 65 5.192 9.513 -0.829 1.00 0.00 N ATOM 954 CA LYS A 65 4.175 10.472 -1.245 1.00 0.00 C ATOM 955 C LYS A 65 2.776 9.952 -0.929 1.00 0.00 C ATOM 956 O LYS A 65 1.804 10.325 -1.585 1.00 0.00 O ATOM 957 CB LYS A 65 4.298 10.758 -2.743 1.00 0.00 C ATOM 958 CG LYS A 65 5.675 11.246 -3.158 1.00 0.00 C ATOM 959 CD LYS A 65 6.613 10.087 -3.450 1.00 0.00 C ATOM 960 CE LYS A 65 7.969 10.575 -3.936 1.00 0.00 C ATOM 961 NZ LYS A 65 8.759 9.482 -4.567 1.00 0.00 N ATOM 0 H LYS A 65 5.184 8.637 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 65 4.334 11.397 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.061 9.851 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.557 11.506 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.587 11.876 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.096 11.866 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.743 9.487 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.167 9.438 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.828 11.382 -4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.528 10.989 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.676 9.855 -4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.916 8.722 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.238 9.104 -5.383 1.00 0.00 H new ATOM 975 N GLN A 66 2.683 9.092 0.080 1.00 0.00 N ATOM 976 CA GLN A 66 1.402 8.524 0.483 1.00 0.00 C ATOM 977 C GLN A 66 0.679 7.911 -0.712 1.00 0.00 C ATOM 978 O GLN A 66 -0.546 7.797 -0.717 1.00 0.00 O ATOM 979 CB GLN A 66 0.525 9.596 1.130 1.00 0.00 C ATOM 980 CG GLN A 66 1.052 10.089 2.468 1.00 0.00 C ATOM 981 CD GLN A 66 0.656 11.523 2.759 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.494 11.914 2.557 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.608 12.315 3.238 1.00 0.00 N ATOM 0 H GLN A 66 3.479 8.773 0.633 1.00 0.00 H new ATOM 0 HA GLN A 66 1.595 7.736 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.439 10.443 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.479 9.196 1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.676 9.444 3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.139 10.007 2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.548 11.949 3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.400 13.290 3.454 1.00 0.00 H new ATOM 992 N GLY A 67 1.447 7.518 -1.724 1.00 0.00 N ATOM 993 CA GLY A 67 0.862 6.922 -2.911 1.00 0.00 C ATOM 994 C GLY A 67 -0.504 7.494 -3.234 1.00 0.00 C ATOM 995 O GLY A 67 -1.528 6.867 -2.961 1.00 0.00 O ATOM 0 H GLY A 67 2.463 7.602 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.528 7.080 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.777 5.845 -2.769 1.00 0.00 H new ATOM 999 N HIS A 68 -0.521 8.689 -3.816 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.772 9.347 -4.175 1.00 0.00 C ATOM 1001 C HIS A 68 -2.596 8.471 -5.114 1.00 0.00 C ATOM 1002 O HIS A 68 -3.774 8.736 -5.354 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.492 10.698 -4.833 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.244 11.803 -3.852 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.679 11.594 -2.612 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -1.485 13.132 -3.936 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.586 12.747 -1.974 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.067 13.696 -2.756 1.00 0.00 N ATOM 0 H HIS A 68 0.317 9.221 -4.049 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.344 9.509 -3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.625 10.602 -5.486 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.338 10.967 -5.465 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.380 10.691 -2.245 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.924 13.652 -4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.185 12.889 -0.981 1.00 0.00 H new ATOM 1017 N LYS A 69 -1.968 7.427 -5.645 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.642 6.512 -6.558 1.00 0.00 C ATOM 1019 C LYS A 69 -2.847 5.148 -5.907 1.00 0.00 C ATOM 1020 O LYS A 69 -2.546 4.961 -4.728 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.833 6.357 -7.847 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.064 7.475 -8.848 1.00 0.00 C ATOM 1023 CD LYS A 69 -0.862 7.666 -9.759 1.00 0.00 C ATOM 1024 CE LYS A 69 0.225 8.487 -9.082 1.00 0.00 C ATOM 1025 NZ LYS A 69 -0.258 9.845 -8.708 1.00 0.00 N ATOM 0 H LYS A 69 -0.993 7.194 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.619 6.932 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.773 6.317 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.087 5.405 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.945 7.250 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.270 8.404 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.461 6.693 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.175 8.162 -10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.571 7.966 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.081 8.577 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.432 10.557 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.174 10.026 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.369 9.902 -7.676 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.360 4.198 -6.683 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.604 2.851 -6.181 1.00 0.00 C ATOM 1041 C GLN A 70 -2.293 2.094 -5.994 1.00 0.00 C ATOM 1042 O GLN A 70 -2.205 1.175 -5.179 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.517 2.084 -7.139 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.603 0.597 -6.838 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.163 -0.202 -7.998 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -5.003 0.174 -9.160 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.824 -1.311 -7.690 1.00 0.00 N ATOM 0 H GLN A 70 -3.614 4.336 -7.661 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.095 2.935 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.518 2.513 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.156 2.220 -8.158 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.610 0.222 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.230 0.444 -5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.933 -1.585 -6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.223 -1.889 -8.430 1.00 0.00 H new ATOM 1056 N THR A 71 -1.276 2.485 -6.755 1.00 0.00 N ATOM 1057 CA THR A 71 0.030 1.843 -6.675 1.00 0.00 C ATOM 1058 C THR A 71 1.076 2.792 -6.101 1.00 0.00 C ATOM 1059 O THR A 71 1.080 3.986 -6.407 1.00 0.00 O ATOM 1060 CB THR A 71 0.501 1.353 -8.057 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.011 2.228 -9.080 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.020 -0.065 -8.322 1.00 0.00 C ATOM 0 H THR A 71 -1.332 3.244 -7.434 1.00 0.00 H new ATOM 0 HA THR A 71 -0.080 0.985 -6.012 1.00 0.00 H new ATOM 0 HB THR A 71 1.591 1.357 -8.067 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.316 1.911 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.365 -0.389 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.419 -0.733 -7.559 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.069 -0.091 -8.294 1.00 0.00 H new ATOM 1070 N LEU A 72 1.961 2.256 -5.268 1.00 0.00 N ATOM 1071 CA LEU A 72 3.013 3.057 -4.651 1.00 0.00 C ATOM 1072 C LEU A 72 4.388 2.460 -4.936 1.00 0.00 C ATOM 1073 O LEU A 72 4.643 1.294 -4.640 1.00 0.00 O ATOM 1074 CB LEU A 72 2.789 3.153 -3.141 1.00 0.00 C ATOM 1075 CG LEU A 72 3.870 3.889 -2.348 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.932 5.351 -2.760 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.613 3.764 -0.853 1.00 0.00 C ATOM 0 H LEU A 72 1.971 1.271 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 72 2.975 4.058 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.835 3.651 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.698 2.143 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 72 4.833 3.429 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.707 5.858 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.165 5.420 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.969 5.824 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.392 4.294 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.642 4.197 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.621 2.712 -0.569 1.00 0.00 H new ATOM 1089 N ASN A 73 5.272 3.271 -5.510 1.00 0.00 N ATOM 1090 CA ASN A 73 6.622 2.824 -5.833 1.00 0.00 C ATOM 1091 C ASN A 73 7.646 3.476 -4.909 1.00 0.00 C ATOM 1092 O ASN A 73 7.576 4.675 -4.633 1.00 0.00 O ATOM 1093 CB ASN A 73 6.954 3.148 -7.291 1.00 0.00 C ATOM 1094 CG ASN A 73 6.608 2.008 -8.229 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.341 1.612 -8.238 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 7.471 1.489 -8.938 1.00 0.00 N flip ATOM 0 H ASN A 73 5.077 4.240 -5.761 1.00 0.00 H new ATOM 0 HA ASN A 73 6.665 1.744 -5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.410 4.043 -7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.016 3.376 -7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.433 1.825 -8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.224 0.723 -9.564 1.00 0.00 H new ATOM 1103 N LEU A 74 8.598 2.680 -4.435 1.00 0.00 N ATOM 1104 CA LEU A 74 9.639 3.180 -3.543 1.00 0.00 C ATOM 1105 C LEU A 74 10.963 3.333 -4.283 1.00 0.00 C ATOM 1106 O LEU A 74 11.245 2.600 -5.231 1.00 0.00 O ATOM 1107 CB LEU A 74 9.814 2.235 -2.352 1.00 0.00 C ATOM 1108 CG LEU A 74 8.954 2.536 -1.124 1.00 0.00 C ATOM 1109 CD1 LEU A 74 9.247 3.932 -0.596 1.00 0.00 C ATOM 1110 CD2 LEU A 74 7.476 2.391 -1.459 1.00 0.00 C ATOM 0 H LEU A 74 8.671 1.686 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 74 9.332 4.161 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.595 1.220 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.861 2.253 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 74 9.203 1.815 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.626 4.128 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.298 4.002 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.027 4.667 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.879 2.609 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.213 3.088 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.276 1.372 -1.789 1.00 0.00 H new ATOM 1122 N SER A 75 11.774 4.290 -3.843 1.00 0.00 N ATOM 1123 CA SER A 75 13.069 4.541 -4.465 1.00 0.00 C ATOM 1124 C SER A 75 14.094 4.984 -3.425 1.00 0.00 C ATOM 1125 O SER A 75 13.746 5.603 -2.420 1.00 0.00 O ATOM 1126 CB SER A 75 12.937 5.608 -5.554 1.00 0.00 C ATOM 1127 OG SER A 75 12.883 6.907 -4.992 1.00 0.00 O ATOM 0 H SER A 75 11.557 4.904 -3.058 1.00 0.00 H new ATOM 0 HA SER A 75 13.414 3.611 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.782 5.540 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.036 5.424 -6.140 1.00 0.00 H new ATOM 0 HG SER A 75 12.800 7.570 -5.709 1.00 0.00 H new ATOM 1133 N GLN A 76 15.359 4.663 -3.676 1.00 0.00 N ATOM 1134 CA GLN A 76 16.435 5.027 -2.762 1.00 0.00 C ATOM 1135 C GLN A 76 16.200 4.429 -1.379 1.00 0.00 C ATOM 1136 O GLN A 76 16.604 5.003 -0.366 1.00 0.00 O ATOM 1137 CB GLN A 76 16.553 6.549 -2.660 1.00 0.00 C ATOM 1138 CG GLN A 76 17.271 7.184 -3.840 1.00 0.00 C ATOM 1139 CD GLN A 76 17.898 8.519 -3.491 1.00 0.00 C ATOM 1140 OE1 GLN A 76 17.359 9.576 -3.822 1.00 0.00 O ATOM 1141 NE2 GLN A 76 19.043 8.479 -2.819 1.00 0.00 N ATOM 0 H GLN A 76 15.664 4.152 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 76 17.367 4.623 -3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.554 6.978 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.084 6.803 -1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.046 6.505 -4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.565 7.321 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.454 7.581 -2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.511 9.347 -2.557 1.00 0.00 H new ATOM 1150 N LEU A 77 15.544 3.275 -1.343 1.00 0.00 N ATOM 1151 CA LEU A 77 15.254 2.599 -0.083 1.00 0.00 C ATOM 1152 C LEU A 77 16.538 2.110 0.581 1.00 0.00 C ATOM 1153 O LEU A 77 17.599 2.084 -0.042 1.00 0.00 O ATOM 1154 CB LEU A 77 14.309 1.419 -0.320 1.00 0.00 C ATOM 1155 CG LEU A 77 12.833 1.770 -0.513 1.00 0.00 C ATOM 1156 CD1 LEU A 77 12.034 0.531 -0.882 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.270 2.416 0.745 1.00 0.00 C ATOM 0 H LEU A 77 15.203 2.788 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 77 14.772 3.315 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.651 0.877 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.392 0.737 0.526 1.00 0.00 H new ATOM 0 HG LEU A 77 12.753 2.485 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.986 0.800 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.422 0.111 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.120 -0.208 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.219 2.659 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.363 1.724 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.825 3.328 0.965 1.00 0.00 H new ATOM 1169 N SER A 78 16.433 1.723 1.848 1.00 0.00 N ATOM 1170 CA SER A 78 17.585 1.237 2.597 1.00 0.00 C ATOM 1171 C SER A 78 17.264 -0.082 3.293 1.00 0.00 C ATOM 1172 O SER A 78 16.101 -0.399 3.540 1.00 0.00 O ATOM 1173 CB SER A 78 18.025 2.278 3.629 1.00 0.00 C ATOM 1174 OG SER A 78 19.413 2.176 3.897 1.00 0.00 O ATOM 0 H SER A 78 15.561 1.737 2.377 1.00 0.00 H new ATOM 0 HA SER A 78 18.399 1.067 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.795 3.278 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.462 2.140 4.552 1.00 0.00 H new ATOM 0 HG SER A 78 19.669 2.853 4.558 1.00 0.00 H new ATOM 1180 N VAL A 79 18.305 -0.847 3.606 1.00 0.00 N ATOM 1181 CA VAL A 79 18.136 -2.132 4.274 1.00 0.00 C ATOM 1182 C VAL A 79 17.410 -1.968 5.605 1.00 0.00 C ATOM 1183 O VAL A 79 17.971 -1.452 6.571 1.00 0.00 O ATOM 1184 CB VAL A 79 19.492 -2.818 4.523 1.00 0.00 C ATOM 1185 CG1 VAL A 79 20.489 -1.833 5.113 1.00 0.00 C ATOM 1186 CG2 VAL A 79 19.319 -4.024 5.434 1.00 0.00 C ATOM 0 H VAL A 79 19.274 -0.599 3.408 1.00 0.00 H new ATOM 0 HA VAL A 79 17.537 -2.757 3.611 1.00 0.00 H new ATOM 0 HB VAL A 79 19.884 -3.166 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 79 21.441 -2.336 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.635 -1.004 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 79 20.107 -1.452 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.287 -4.497 5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 79 18.904 -3.702 6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.641 -4.739 4.967 1.00 0.00 H new ATOM 1196 N GLY A 80 16.157 -2.411 5.648 1.00 0.00 N ATOM 1197 CA GLY A 80 15.374 -2.305 6.865 1.00 0.00 C ATOM 1198 C GLY A 80 13.932 -2.727 6.666 1.00 0.00 C ATOM 1199 O GLY A 80 13.549 -3.162 5.579 1.00 0.00 O ATOM 0 H GLY A 80 15.670 -2.841 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.827 -2.924 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.402 -1.276 7.223 1.00 0.00 H new ATOM 1203 N LEU A 81 13.129 -2.601 7.717 1.00 0.00 N ATOM 1204 CA LEU A 81 11.720 -2.974 7.653 1.00 0.00 C ATOM 1205 C LEU A 81 10.847 -1.758 7.362 1.00 0.00 C ATOM 1206 O LEU A 81 11.064 -0.679 7.914 1.00 0.00 O ATOM 1207 CB LEU A 81 11.285 -3.626 8.967 1.00 0.00 C ATOM 1208 CG LEU A 81 9.824 -4.070 9.044 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.597 -5.308 8.190 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.423 -4.334 10.488 1.00 0.00 C ATOM 0 H LEU A 81 13.430 -2.243 8.624 1.00 0.00 H new ATOM 0 HA LEU A 81 11.596 -3.690 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.918 -4.495 9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.474 -2.923 9.778 1.00 0.00 H new ATOM 0 HG LEU A 81 9.198 -3.267 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.552 -5.610 8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.844 -5.085 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.232 -6.118 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.380 -4.649 10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.054 -5.120 10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.547 -3.422 11.073 1.00 0.00 H new ATOM 1222 N TYR A 82 9.859 -1.940 6.493 1.00 0.00 N ATOM 1223 CA TYR A 82 8.953 -0.857 6.128 1.00 0.00 C ATOM 1224 C TYR A 82 7.531 -1.377 5.941 1.00 0.00 C ATOM 1225 O TYR A 82 7.269 -2.204 5.068 1.00 0.00 O ATOM 1226 CB TYR A 82 9.431 -0.174 4.846 1.00 0.00 C ATOM 1227 CG TYR A 82 10.894 0.206 4.872 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.328 1.331 5.562 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.843 -0.561 4.207 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.664 1.683 5.587 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.181 -0.218 4.228 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.587 0.905 4.919 1.00 0.00 C ATOM 1233 OH TYR A 82 14.918 1.251 4.943 1.00 0.00 O ATOM 0 H TYR A 82 9.665 -2.827 6.028 1.00 0.00 H new ATOM 0 HA TYR A 82 8.951 -0.130 6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.252 -0.839 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.834 0.722 4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.609 1.941 6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.529 -1.440 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.984 2.562 6.126 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.905 -0.826 3.706 1.00 0.00 H new ATOM 0 HH TYR A 82 15.467 0.444 4.857 1.00 0.00 H new ATOM 1243 N VAL A 83 6.614 -0.884 6.769 1.00 0.00 N ATOM 1244 CA VAL A 83 5.218 -1.296 6.695 1.00 0.00 C ATOM 1245 C VAL A 83 4.333 -0.154 6.209 1.00 0.00 C ATOM 1246 O VAL A 83 4.079 0.803 6.941 1.00 0.00 O ATOM 1247 CB VAL A 83 4.703 -1.784 8.063 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.215 -2.090 7.995 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.487 -3.004 8.522 1.00 0.00 C ATOM 0 H VAL A 83 6.814 -0.199 7.498 1.00 0.00 H new ATOM 0 HA VAL A 83 5.168 -2.119 5.982 1.00 0.00 H new ATOM 0 HB VAL A 83 4.852 -0.989 8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.869 -2.433 8.970 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.671 -1.189 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.037 -2.868 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.110 -3.336 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.371 -3.806 7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.542 -2.746 8.612 1.00 0.00 H new ATOM 1259 N PHE A 84 3.865 -0.261 4.970 1.00 0.00 N ATOM 1260 CA PHE A 84 3.008 0.763 4.385 1.00 0.00 C ATOM 1261 C PHE A 84 1.535 0.402 4.554 1.00 0.00 C ATOM 1262 O PHE A 84 1.100 -0.680 4.159 1.00 0.00 O ATOM 1263 CB PHE A 84 3.334 0.945 2.901 1.00 0.00 C ATOM 1264 CG PHE A 84 4.807 0.972 2.610 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.494 -0.199 2.335 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.504 2.170 2.611 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.850 -0.176 2.066 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.859 2.198 2.342 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.533 1.024 2.070 1.00 0.00 C ATOM 0 H PHE A 84 4.065 -1.047 4.351 1.00 0.00 H new ATOM 0 HA PHE A 84 3.196 1.701 4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.875 0.135 2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.885 1.874 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.965 -1.140 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.982 3.091 2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.374 -1.096 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.391 3.138 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.592 1.044 1.861 1.00 0.00 H new ATOM 1279 N LYS A 85 0.772 1.315 5.144 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.652 1.095 5.366 1.00 0.00 C ATOM 1281 C LYS A 85 -1.489 1.973 4.440 1.00 0.00 C ATOM 1282 O LYS A 85 -1.500 3.197 4.571 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.013 1.386 6.825 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.501 1.585 7.055 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.798 1.946 8.501 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.566 3.426 8.765 1.00 0.00 C ATOM 1287 NZ LYS A 85 -1.168 3.699 9.199 1.00 0.00 N ATOM 0 H LYS A 85 1.116 2.215 5.477 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.871 0.050 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.665 0.562 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.481 2.280 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.869 2.374 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.036 0.674 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.831 1.691 8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.165 1.354 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.783 3.995 7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.259 3.771 9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.135 4.602 9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.842 2.933 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.550 3.754 8.364 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.190 1.339 3.505 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.032 2.062 2.560 1.00 0.00 C ATOM 1303 C VAL A 86 -4.467 2.160 3.065 1.00 0.00 C ATOM 1304 O VAL A 86 -5.209 1.177 3.057 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.031 1.384 1.176 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.365 -0.094 1.306 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.010 2.080 0.242 1.00 0.00 C ATOM 0 H VAL A 86 -2.191 0.326 3.382 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.614 3.064 2.466 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.032 1.470 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.360 -0.556 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.623 -0.581 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.352 -0.206 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.997 1.589 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.014 2.026 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.721 3.124 0.125 1.00 0.00 H new ATOM 1317 N THR A 87 -4.853 3.354 3.504 1.00 0.00 N ATOM 1318 CA THR A 87 -6.200 3.582 4.013 1.00 0.00 C ATOM 1319 C THR A 87 -7.139 4.034 2.902 1.00 0.00 C ATOM 1320 O THR A 87 -6.951 5.098 2.310 1.00 0.00 O ATOM 1321 CB THR A 87 -6.204 4.637 5.135 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.176 4.344 6.088 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.554 4.677 5.835 1.00 0.00 C ATOM 0 H THR A 87 -4.252 4.178 3.517 1.00 0.00 H new ATOM 0 HA THR A 87 -6.551 2.632 4.416 1.00 0.00 H new ATOM 0 HB THR A 87 -6.015 5.612 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.495 3.660 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.533 5.429 6.623 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.331 4.930 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.767 3.701 6.271 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.153 3.220 2.622 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.123 3.538 1.581 1.00 0.00 C ATOM 1333 C VAL A 88 -10.548 3.477 2.122 1.00 0.00 C ATOM 1334 O VAL A 88 -10.995 2.436 2.604 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.998 2.577 0.384 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.114 2.825 -0.619 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.635 2.723 -0.276 1.00 0.00 C ATOM 0 H VAL A 88 -8.323 2.336 3.102 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.907 4.552 1.246 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.092 1.555 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.009 2.137 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.079 2.665 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.055 3.851 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.564 2.037 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.510 3.747 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.854 2.491 0.448 1.00 0.00 H new ATOM 1347 N SER A 89 -11.256 4.599 2.037 1.00 0.00 N ATOM 1348 CA SER A 89 -12.629 4.674 2.520 1.00 0.00 C ATOM 1349 C SER A 89 -13.497 5.491 1.568 1.00 0.00 C ATOM 1350 O SER A 89 -13.001 6.358 0.849 1.00 0.00 O ATOM 1351 CB SER A 89 -12.667 5.291 3.920 1.00 0.00 C ATOM 1352 OG SER A 89 -12.411 6.684 3.869 1.00 0.00 O ATOM 0 H SER A 89 -10.901 5.468 1.638 1.00 0.00 H new ATOM 0 HA SER A 89 -13.027 3.660 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.642 5.113 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.927 4.805 4.556 1.00 0.00 H new ATOM 0 HG SER A 89 -12.442 7.056 4.775 1.00 0.00 H new ATOM 1358 N SER A 90 -14.795 5.208 1.569 1.00 0.00 N ATOM 1359 CA SER A 90 -15.733 5.913 0.703 1.00 0.00 C ATOM 1360 C SER A 90 -16.849 6.557 1.520 1.00 0.00 C ATOM 1361 O SER A 90 -16.975 6.310 2.719 1.00 0.00 O ATOM 1362 CB SER A 90 -16.329 4.952 -0.328 1.00 0.00 C ATOM 1363 OG SER A 90 -17.002 5.660 -1.355 1.00 0.00 O ATOM 0 H SER A 90 -15.222 4.495 2.160 1.00 0.00 H new ATOM 0 HA SER A 90 -15.187 6.700 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.537 4.342 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.023 4.271 0.164 1.00 0.00 H new ATOM 0 HG SER A 90 -17.372 5.024 -2.002 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.655 7.383 0.861 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.760 8.063 1.526 1.00 0.00 C ATOM 1371 C GLU A 91 -19.555 7.091 2.393 1.00 0.00 C ATOM 1372 O GLU A 91 -19.957 7.422 3.507 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.682 8.715 0.494 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.392 7.716 -0.404 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.818 8.322 -1.728 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -19.929 8.691 -2.524 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -22.039 8.428 -1.967 1.00 0.00 O ATOM 0 H GLU A 91 -17.564 7.597 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.342 8.837 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.427 9.317 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.097 9.396 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.732 6.869 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.270 7.328 0.113 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.777 5.889 1.872 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.524 4.868 2.596 1.00 0.00 C ATOM 1386 C ASN A 92 -19.719 3.576 2.702 1.00 0.00 C ATOM 1387 O ASN A 92 -20.278 2.480 2.672 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.860 4.594 1.901 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.690 4.275 0.428 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -20.989 4.982 -0.295 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.334 3.205 -0.023 1.00 0.00 N ATOM 0 H ASN A 92 -19.450 5.598 0.951 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.715 5.240 3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.360 3.761 2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.508 5.464 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.258 2.941 -1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.904 2.648 0.613 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.403 3.714 2.827 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.521 2.559 2.939 1.00 0.00 C ATOM 1400 C ALA A 93 -16.244 2.915 3.692 1.00 0.00 C ATOM 1401 O ALA A 93 -15.956 4.089 3.925 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.188 2.013 1.559 1.00 0.00 C ATOM 0 H ALA A 93 -17.924 4.614 2.853 1.00 0.00 H new ATOM 0 HA ALA A 93 -18.043 1.788 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.529 1.151 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.107 1.711 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.690 2.785 0.973 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.482 1.895 4.071 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.235 2.101 4.799 1.00 0.00 C ATOM 1410 C PHE A 94 -13.377 0.839 4.776 1.00 0.00 C ATOM 1411 O PHE A 94 -13.853 -0.255 5.075 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.526 2.506 6.245 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.335 2.386 7.153 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -12.082 2.801 6.732 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.468 1.857 8.426 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.984 2.692 7.564 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.374 1.745 9.263 1.00 0.00 C ATOM 1418 CZ PHE A 94 -11.130 2.163 8.831 1.00 0.00 C ATOM 0 H PHE A 94 -15.706 0.917 3.886 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.684 2.903 4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.882 3.536 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.333 1.884 6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.962 3.215 5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.438 1.528 8.769 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.013 3.020 7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.491 1.331 10.254 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.273 2.076 9.483 1.00 0.00 H new ATOM 1428 N GLY A 95 -12.107 1.001 4.416 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.202 -0.132 4.359 1.00 0.00 C ATOM 1430 C GLY A 95 -9.756 0.270 4.569 1.00 0.00 C ATOM 1431 O GLY A 95 -9.399 1.436 4.404 1.00 0.00 O ATOM 0 H GLY A 95 -11.689 1.896 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.488 -0.860 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.302 -0.625 3.392 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.921 -0.698 4.936 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.506 -0.437 5.171 1.00 0.00 C ATOM 1437 C GLU A 96 -6.674 -1.694 4.934 1.00 0.00 C ATOM 1438 O GLU A 96 -7.140 -2.811 5.156 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.289 0.070 6.598 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.961 1.403 6.880 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.334 2.137 8.048 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -6.089 2.162 8.135 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -8.090 2.688 8.876 1.00 0.00 O ATOM 0 H GLU A 96 -9.200 -1.669 5.077 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.182 0.330 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.667 -0.673 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.219 0.166 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.905 2.029 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.018 1.236 7.086 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.439 -1.503 4.479 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.562 -2.629 4.218 1.00 0.00 C ATOM 1452 C GLY A 97 -3.189 -2.449 4.834 1.00 0.00 C ATOM 1453 O GLY A 97 -2.825 -1.347 5.246 1.00 0.00 O ATOM 0 H GLY A 97 -5.031 -0.588 4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.017 -3.538 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.459 -2.763 3.141 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.424 -3.534 4.898 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.083 -3.491 5.471 1.00 0.00 C ATOM 1459 C PHE A 98 -0.133 -4.404 4.700 1.00 0.00 C ATOM 1460 O PHE A 98 -0.452 -5.561 4.426 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.121 -3.904 6.944 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.902 -2.958 7.811 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.285 -2.916 7.742 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -1.252 -2.111 8.695 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -4.005 -2.046 8.539 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.968 -1.239 9.494 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.346 -1.207 9.417 1.00 0.00 C ATOM 0 H PHE A 98 -2.709 -4.453 4.560 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.716 -2.467 5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.556 -4.900 7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.100 -3.971 7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.806 -3.570 7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.174 -2.132 8.760 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.083 -2.022 8.475 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.450 -0.583 10.178 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.907 -0.528 10.041 1.00 0.00 H new ATOM 1477 N VAL A 99 1.035 -3.873 4.352 1.00 0.00 N ATOM 1478 CA VAL A 99 2.032 -4.639 3.614 1.00 0.00 C ATOM 1479 C VAL A 99 3.436 -4.366 4.142 1.00 0.00 C ATOM 1480 O VAL A 99 3.802 -3.220 4.398 1.00 0.00 O ATOM 1481 CB VAL A 99 1.989 -4.312 2.109 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.565 -2.929 1.846 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.738 -5.370 1.313 1.00 0.00 C ATOM 0 H VAL A 99 1.314 -2.916 4.569 1.00 0.00 H new ATOM 0 HA VAL A 99 1.792 -5.693 3.757 1.00 0.00 H new ATOM 0 HB VAL A 99 0.949 -4.314 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.526 -2.716 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.982 -2.183 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.600 -2.896 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.698 -5.123 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.778 -5.402 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.276 -6.344 1.477 1.00 0.00 H new ATOM 1493 N ASN A 100 4.219 -5.428 4.301 1.00 0.00 N ATOM 1494 CA ASN A 100 5.584 -5.304 4.799 1.00 0.00 C ATOM 1495 C ASN A 100 6.592 -5.420 3.659 1.00 0.00 C ATOM 1496 O ASN A 100 6.350 -6.112 2.671 1.00 0.00 O ATOM 1497 CB ASN A 100 5.864 -6.377 5.854 1.00 0.00 C ATOM 1498 CG ASN A 100 4.824 -6.389 6.957 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.682 -5.976 6.753 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.215 -6.863 8.134 1.00 0.00 N ATOM 0 H ASN A 100 3.932 -6.384 4.092 1.00 0.00 H new ATOM 0 HA ASN A 100 5.690 -4.320 5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.892 -7.355 5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.849 -6.207 6.289 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.559 -6.895 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.172 -7.195 8.258 1.00 0.00 H new ATOM 1507 N VAL A 101 7.723 -4.737 3.805 1.00 0.00 N ATOM 1508 CA VAL A 101 8.769 -4.764 2.789 1.00 0.00 C ATOM 1509 C VAL A 101 10.153 -4.791 3.427 1.00 0.00 C ATOM 1510 O VAL A 101 10.568 -3.833 4.080 1.00 0.00 O ATOM 1511 CB VAL A 101 8.671 -3.547 1.851 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.788 -3.577 0.819 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.309 -3.504 1.174 1.00 0.00 C ATOM 0 H VAL A 101 7.938 -4.158 4.617 1.00 0.00 H new ATOM 0 HA VAL A 101 8.623 -5.674 2.207 1.00 0.00 H new ATOM 0 HB VAL A 101 8.784 -2.641 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.702 -2.709 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.753 -3.556 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.710 -4.488 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.258 -2.637 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.164 -4.413 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.528 -3.431 1.931 1.00 0.00 H new ATOM 1523 N THR A 102 10.867 -5.896 3.232 1.00 0.00 N ATOM 1524 CA THR A 102 12.205 -6.049 3.788 1.00 0.00 C ATOM 1525 C THR A 102 13.272 -5.815 2.724 1.00 0.00 C ATOM 1526 O THR A 102 13.176 -6.330 1.610 1.00 0.00 O ATOM 1527 CB THR A 102 12.403 -7.450 4.398 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.363 -7.724 5.343 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.758 -7.555 5.082 1.00 0.00 C ATOM 0 H THR A 102 10.540 -6.698 2.693 1.00 0.00 H new ATOM 0 HA THR A 102 12.309 -5.301 4.574 1.00 0.00 H new ATOM 0 HB THR A 102 12.363 -8.183 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.495 -8.617 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.876 -8.553 5.505 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.548 -7.374 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.822 -6.813 5.878 1.00 0.00 H new ATOM 1537 N VAL A 103 14.290 -5.036 3.076 1.00 0.00 N ATOM 1538 CA VAL A 103 15.377 -4.735 2.151 1.00 0.00 C ATOM 1539 C VAL A 103 16.690 -5.343 2.631 1.00 0.00 C ATOM 1540 O VAL A 103 17.246 -4.927 3.648 1.00 0.00 O ATOM 1541 CB VAL A 103 15.561 -3.216 1.977 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.774 -2.922 1.108 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.307 -2.593 1.384 1.00 0.00 C ATOM 0 H VAL A 103 14.385 -4.602 3.994 1.00 0.00 H new ATOM 0 HA VAL A 103 15.106 -5.173 1.190 1.00 0.00 H new ATOM 0 HB VAL A 103 15.731 -2.773 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.889 -1.844 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.667 -3.335 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.637 -3.376 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.454 -1.519 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.105 -3.039 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.462 -2.774 2.048 1.00 0.00 H new ATOM 1553 N LYS A 104 17.184 -6.331 1.892 1.00 0.00 N ATOM 1554 CA LYS A 104 18.433 -6.997 2.239 1.00 0.00 C ATOM 1555 C LYS A 104 19.634 -6.171 1.788 1.00 0.00 C ATOM 1556 O LYS A 104 19.579 -5.443 0.797 1.00 0.00 O ATOM 1557 CB LYS A 104 18.489 -8.387 1.601 1.00 0.00 C ATOM 1558 CG LYS A 104 17.314 -9.275 1.974 1.00 0.00 C ATOM 1559 CD LYS A 104 17.524 -9.943 3.322 1.00 0.00 C ATOM 1560 CE LYS A 104 16.266 -10.654 3.794 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.566 -11.685 4.826 1.00 0.00 N ATOM 0 H LYS A 104 16.737 -6.688 1.048 1.00 0.00 H new ATOM 0 HA LYS A 104 18.471 -7.100 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.522 -8.279 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.415 -8.878 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.401 -8.680 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.175 -10.037 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.343 -10.659 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.818 -9.195 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.568 -9.924 4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.774 -11.124 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.683 -12.147 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.212 -12.396 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.013 -11.233 5.649 1.00 0.00 H new ATOM 1575 N PRO A 105 20.745 -6.286 2.530 1.00 0.00 N ATOM 1576 CA PRO A 105 21.980 -5.559 2.224 1.00 0.00 C ATOM 1577 C PRO A 105 22.656 -6.071 0.957 1.00 0.00 C ATOM 1578 O PRO A 105 22.542 -7.248 0.614 1.00 0.00 O ATOM 1579 CB PRO A 105 22.862 -5.827 3.446 1.00 0.00 C ATOM 1580 CG PRO A 105 22.359 -7.115 4.001 1.00 0.00 C ATOM 1581 CD PRO A 105 20.881 -7.135 3.726 1.00 0.00 C ATOM 0 HA PRO A 105 21.794 -4.501 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.913 -5.900 3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.781 -5.022 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.855 -7.963 3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.558 -7.183 5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.520 -8.147 3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.310 -6.740 4.566 1.00 0.00 H new ATOM 1589 N ALA A 106 23.360 -5.181 0.266 1.00 0.00 N ATOM 1590 CA ALA A 106 24.056 -5.545 -0.962 1.00 0.00 C ATOM 1591 C ALA A 106 25.009 -6.712 -0.728 1.00 0.00 C ATOM 1592 O ALA A 106 26.132 -6.524 -0.259 1.00 0.00 O ATOM 1593 CB ALA A 106 24.813 -4.346 -1.515 1.00 0.00 C ATOM 0 H ALA A 106 23.464 -4.203 0.536 1.00 0.00 H new ATOM 0 HA ALA A 106 23.311 -5.859 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.328 -4.632 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.111 -3.540 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.543 -4.006 -0.780 1.00 0.00 H new