USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 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 52 ASN : amide:sc= -0.781 K(o=-0.88,f=-1.6) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.103 K(o=-0.88,f=-1.4) USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0746 (180deg=-0.458) 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= -1.14 K(o=-1.1,f=-2.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.55! C(o=-3.5!,f=-8.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.169 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 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc=-0.00437 X(o=-0.0044,f=-0.083) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.8!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.4! K(o=-1.4!,f=0) 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 4:sc= 1.27 USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= -2.86 (180deg=-4.22!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -174:sc= -4.4! USER MOD Single : A 92 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.3!) USER MOD Single : A 100 ASN : amide:sc= -14.5! C(o=-14!,f=-16!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -21.095 2.170 7.539 1.00 0.00 N ATOM 119 CA VAL A 11 -20.389 2.067 6.267 1.00 0.00 C ATOM 120 C VAL A 11 -20.104 0.611 5.913 1.00 0.00 C ATOM 121 O VAL A 11 -20.177 -0.273 6.767 1.00 0.00 O ATOM 122 CB VAL A 11 -19.061 2.846 6.297 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.277 4.249 6.843 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.024 2.098 7.121 1.00 0.00 C ATOM 0 HA VAL A 11 -21.039 2.502 5.508 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.687 2.933 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.328 4.784 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.985 4.782 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.674 4.188 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.092 2.662 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.388 1.978 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.849 1.116 6.681 1.00 0.00 H new ATOM 134 N LYS A 12 -19.779 0.369 4.648 1.00 0.00 N ATOM 135 CA LYS A 12 -19.480 -0.979 4.179 1.00 0.00 C ATOM 136 C LYS A 12 -18.014 -1.326 4.418 1.00 0.00 C ATOM 137 O LYS A 12 -17.120 -0.562 4.055 1.00 0.00 O ATOM 138 CB LYS A 12 -19.810 -1.108 2.690 1.00 0.00 C ATOM 139 CG LYS A 12 -21.250 -1.508 2.419 1.00 0.00 C ATOM 140 CD LYS A 12 -21.588 -1.408 0.941 1.00 0.00 C ATOM 141 CE LYS A 12 -21.067 -2.610 0.168 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.735 -3.873 0.590 1.00 0.00 N ATOM 0 H LYS A 12 -19.716 1.089 3.928 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.097 -1.678 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.607 -0.157 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.146 -1.847 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.416 -2.529 2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.921 -0.866 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.669 -1.335 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.158 -0.495 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.227 -2.453 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.991 -2.700 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.651 -4.580 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.281 -4.234 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.741 -3.687 0.780 1.00 0.00 H new ATOM 156 N GLU A 13 -17.776 -2.482 5.029 1.00 0.00 N ATOM 157 CA GLU A 13 -16.417 -2.929 5.314 1.00 0.00 C ATOM 158 C GLU A 13 -15.772 -3.536 4.072 1.00 0.00 C ATOM 159 O GLU A 13 -16.097 -4.655 3.673 1.00 0.00 O ATOM 160 CB GLU A 13 -16.422 -3.952 6.452 1.00 0.00 C ATOM 161 CG GLU A 13 -16.994 -3.414 7.752 1.00 0.00 C ATOM 162 CD GLU A 13 -17.105 -4.479 8.826 1.00 0.00 C ATOM 163 OE1 GLU A 13 -16.147 -5.265 8.982 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.149 -4.528 9.509 1.00 0.00 O ATOM 0 H GLU A 13 -18.505 -3.126 5.336 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.832 -2.061 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.000 -4.823 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.402 -4.293 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.363 -2.603 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.980 -2.990 7.563 1.00 0.00 H new ATOM 171 N LEU A 14 -14.856 -2.790 3.464 1.00 0.00 N ATOM 172 CA LEU A 14 -14.164 -3.253 2.266 1.00 0.00 C ATOM 173 C LEU A 14 -12.925 -4.064 2.632 1.00 0.00 C ATOM 174 O LEU A 14 -12.307 -3.839 3.674 1.00 0.00 O ATOM 175 CB LEU A 14 -13.769 -2.063 1.390 1.00 0.00 C ATOM 176 CG LEU A 14 -14.878 -1.057 1.084 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.292 0.230 0.523 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.887 -1.653 0.114 1.00 0.00 C ATOM 0 H LEU A 14 -14.575 -1.862 3.781 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.845 -3.897 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.951 -1.534 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.382 -2.446 0.445 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.395 -0.821 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.097 0.934 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.610 0.667 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.749 0.012 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.669 -0.922 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.385 -1.919 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.331 -2.546 0.554 1.00 0.00 H new ATOM 190 N THR A 15 -12.564 -5.007 1.768 1.00 0.00 N ATOM 191 CA THR A 15 -11.398 -5.850 1.999 1.00 0.00 C ATOM 192 C THR A 15 -10.181 -5.324 1.247 1.00 0.00 C ATOM 193 O THR A 15 -10.032 -5.557 0.047 1.00 0.00 O ATOM 194 CB THR A 15 -11.664 -7.306 1.569 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.786 -7.831 2.286 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.442 -8.176 1.822 1.00 0.00 C ATOM 0 H THR A 15 -13.063 -5.206 0.901 1.00 0.00 H new ATOM 0 HA THR A 15 -11.197 -5.826 3.070 1.00 0.00 H new ATOM 0 HB THR A 15 -11.881 -7.313 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.950 -8.756 2.006 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.653 -9.199 1.511 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.597 -7.791 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.199 -8.163 2.885 1.00 0.00 H new ATOM 204 N VAL A 16 -9.312 -4.614 1.960 1.00 0.00 N ATOM 205 CA VAL A 16 -8.106 -4.057 1.359 1.00 0.00 C ATOM 206 C VAL A 16 -6.910 -4.978 1.572 1.00 0.00 C ATOM 207 O VAL A 16 -6.544 -5.285 2.706 1.00 0.00 O ATOM 208 CB VAL A 16 -7.781 -2.668 1.941 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.541 -2.088 1.277 1.00 0.00 C ATOM 210 CG2 VAL A 16 -8.969 -1.732 1.779 1.00 0.00 C ATOM 0 H VAL A 16 -9.421 -4.411 2.954 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.299 -3.960 0.291 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.576 -2.778 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.327 -1.107 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.693 -2.751 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.714 -1.991 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.722 -0.755 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.207 -1.626 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.831 -2.143 2.305 1.00 0.00 H new ATOM 220 N SER A 17 -6.304 -5.415 0.473 1.00 0.00 N ATOM 221 CA SER A 17 -5.150 -6.305 0.538 1.00 0.00 C ATOM 222 C SER A 17 -4.074 -5.871 -0.452 1.00 0.00 C ATOM 223 O SER A 17 -4.319 -5.787 -1.655 1.00 0.00 O ATOM 224 CB SER A 17 -5.574 -7.746 0.250 1.00 0.00 C ATOM 225 OG SER A 17 -4.512 -8.650 0.502 1.00 0.00 O ATOM 0 H SER A 17 -6.593 -5.167 -0.473 1.00 0.00 H new ATOM 0 HA SER A 17 -4.736 -6.251 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.432 -8.007 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.892 -7.834 -0.789 1.00 0.00 H new ATOM 0 HG SER A 17 -4.809 -9.564 0.312 1.00 0.00 H new ATOM 231 N ALA A 18 -2.880 -5.598 0.064 1.00 0.00 N ATOM 232 CA ALA A 18 -1.765 -5.175 -0.774 1.00 0.00 C ATOM 233 C ALA A 18 -1.287 -6.314 -1.668 1.00 0.00 C ATOM 234 O ALA A 18 -1.001 -6.112 -2.847 1.00 0.00 O ATOM 235 CB ALA A 18 -0.620 -4.664 0.089 1.00 0.00 C ATOM 0 H ALA A 18 -2.660 -5.662 1.058 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.112 -4.365 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.206 -4.352 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.962 -3.815 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.283 -5.459 0.754 1.00 0.00 H new ATOM 241 N GLY A 19 -1.204 -7.513 -1.099 1.00 0.00 N ATOM 242 CA GLY A 19 -0.760 -8.666 -1.859 1.00 0.00 C ATOM 243 C GLY A 19 -0.015 -9.672 -1.005 1.00 0.00 C ATOM 244 O GLY A 19 -0.542 -10.738 -0.687 1.00 0.00 O ATOM 0 H GLY A 19 -1.437 -7.706 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.623 -9.150 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.114 -8.335 -2.672 1.00 0.00 H new ATOM 248 N ASP A 20 1.216 -9.335 -0.634 1.00 0.00 N ATOM 249 CA ASP A 20 2.035 -10.217 0.189 1.00 0.00 C ATOM 250 C ASP A 20 3.335 -9.529 0.594 1.00 0.00 C ATOM 251 O ASP A 20 3.600 -8.396 0.195 1.00 0.00 O ATOM 252 CB ASP A 20 2.342 -11.512 -0.565 1.00 0.00 C ATOM 253 CG ASP A 20 2.706 -12.652 0.367 1.00 0.00 C ATOM 254 OD1 ASP A 20 1.841 -13.060 1.170 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.855 -13.134 0.294 1.00 0.00 O ATOM 0 H ASP A 20 1.668 -8.457 -0.890 1.00 0.00 H new ATOM 0 HA ASP A 20 1.474 -10.456 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.475 -11.796 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.163 -11.338 -1.260 1.00 0.00 H new ATOM 260 N ASN A 21 4.142 -10.223 1.391 1.00 0.00 N ATOM 261 CA ASN A 21 5.414 -9.678 1.853 1.00 0.00 C ATOM 262 C ASN A 21 6.441 -9.667 0.725 1.00 0.00 C ATOM 263 O ASN A 21 6.678 -10.687 0.076 1.00 0.00 O ATOM 264 CB ASN A 21 5.944 -10.495 3.033 1.00 0.00 C ATOM 265 CG ASN A 21 6.182 -11.948 2.670 1.00 0.00 C ATOM 266 OD1 ASN A 21 7.116 -12.270 1.935 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.337 -12.832 3.186 1.00 0.00 N ATOM 0 H ASN A 21 3.938 -11.163 1.730 1.00 0.00 H new ATOM 0 HA ASN A 21 5.246 -8.651 2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.876 -10.054 3.387 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.233 -10.441 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.447 -13.824 2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.577 -12.519 3.790 1.00 0.00 H new ATOM 274 N LEU A 22 7.050 -8.508 0.498 1.00 0.00 N ATOM 275 CA LEU A 22 8.053 -8.363 -0.551 1.00 0.00 C ATOM 276 C LEU A 22 9.431 -8.099 0.047 1.00 0.00 C ATOM 277 O LEU A 22 9.565 -7.351 1.016 1.00 0.00 O ATOM 278 CB LEU A 22 7.669 -7.226 -1.498 1.00 0.00 C ATOM 279 CG LEU A 22 6.204 -7.181 -1.935 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.671 -8.588 -2.157 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.362 -6.447 -0.902 1.00 0.00 C ATOM 0 H LEU A 22 6.867 -7.655 1.026 1.00 0.00 H new ATOM 0 HA LEU A 22 8.093 -9.296 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.912 -6.280 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.291 -7.297 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 22 6.142 -6.637 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.627 -8.537 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.257 -9.081 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.746 -9.156 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.323 -6.425 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.430 -6.963 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.730 -5.427 -0.791 1.00 0.00 H new ATOM 293 N ILE A 23 10.453 -8.716 -0.538 1.00 0.00 N ATOM 294 CA ILE A 23 11.821 -8.544 -0.064 1.00 0.00 C ATOM 295 C ILE A 23 12.764 -8.215 -1.217 1.00 0.00 C ATOM 296 O ILE A 23 12.891 -8.986 -2.167 1.00 0.00 O ATOM 297 CB ILE A 23 12.330 -9.807 0.656 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.446 -10.123 1.864 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.778 -9.624 1.085 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.667 -11.509 2.429 1.00 0.00 C ATOM 0 H ILE A 23 10.359 -9.339 -1.340 1.00 0.00 H new ATOM 0 HA ILE A 23 11.809 -7.713 0.642 1.00 0.00 H new ATOM 0 HB ILE A 23 12.280 -10.648 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.635 -9.387 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.400 -10.020 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 23 14.124 -10.525 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.397 -9.442 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.852 -8.774 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.007 -11.663 3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.449 -12.253 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.704 -11.610 2.749 1.00 0.00 H new ATOM 312 N ILE A 24 13.423 -7.065 -1.124 1.00 0.00 N ATOM 313 CA ILE A 24 14.357 -6.635 -2.157 1.00 0.00 C ATOM 314 C ILE A 24 15.796 -6.694 -1.656 1.00 0.00 C ATOM 315 O ILE A 24 16.050 -6.640 -0.453 1.00 0.00 O ATOM 316 CB ILE A 24 14.049 -5.202 -2.632 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.458 -4.377 -1.487 1.00 0.00 C ATOM 318 CG2 ILE A 24 13.097 -5.231 -3.818 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.476 -2.887 -1.744 1.00 0.00 C ATOM 0 H ILE A 24 13.327 -6.415 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 24 14.239 -7.321 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 24 14.980 -4.732 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.430 -4.695 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.015 -4.587 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.889 -4.211 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.553 -5.786 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.166 -5.716 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 24 13.042 -2.365 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.504 -2.555 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.895 -2.665 -2.639 1.00 0.00 H new ATOM 331 N THR A 25 16.737 -6.806 -2.589 1.00 0.00 N ATOM 332 CA THR A 25 18.151 -6.872 -2.244 1.00 0.00 C ATOM 333 C THR A 25 18.947 -5.800 -2.979 1.00 0.00 C ATOM 334 O THR A 25 18.880 -5.692 -4.204 1.00 0.00 O ATOM 335 CB THR A 25 18.746 -8.254 -2.574 1.00 0.00 C ATOM 336 OG1 THR A 25 18.034 -9.276 -1.867 1.00 0.00 O ATOM 337 CG2 THR A 25 20.221 -8.310 -2.207 1.00 0.00 C ATOM 0 H THR A 25 16.544 -6.853 -3.590 1.00 0.00 H new ATOM 0 HA THR A 25 18.222 -6.701 -1.170 1.00 0.00 H new ATOM 0 HB THR A 25 18.648 -8.420 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.417 -10.151 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.619 -9.295 -2.449 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.765 -7.551 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.338 -8.124 -1.139 1.00 0.00 H new ATOM 345 N LEU A 26 19.702 -5.009 -2.224 1.00 0.00 N ATOM 346 CA LEU A 26 20.513 -3.944 -2.804 1.00 0.00 C ATOM 347 C LEU A 26 21.343 -4.467 -3.973 1.00 0.00 C ATOM 348 O LEU A 26 21.649 -5.656 -4.066 1.00 0.00 O ATOM 349 CB LEU A 26 21.432 -3.339 -1.742 1.00 0.00 C ATOM 350 CG LEU A 26 20.769 -2.394 -0.740 1.00 0.00 C ATOM 351 CD1 LEU A 26 20.703 -0.982 -1.302 1.00 0.00 C ATOM 352 CD2 LEU A 26 19.377 -2.891 -0.379 1.00 0.00 C ATOM 0 H LEU A 26 19.769 -5.085 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 26 19.841 -3.171 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.900 -4.153 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.231 -2.797 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 26 21.373 -2.375 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.228 -0.323 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.712 -0.626 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.122 -0.984 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.920 -2.206 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.763 -2.940 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.449 -3.884 0.065 1.00 0.00 H new ATOM 364 N PRO A 27 21.719 -3.559 -4.885 1.00 0.00 N ATOM 365 CA PRO A 27 21.361 -2.141 -4.785 1.00 0.00 C ATOM 366 C PRO A 27 19.873 -1.901 -5.016 1.00 0.00 C ATOM 367 O PRO A 27 19.330 -0.873 -4.612 1.00 0.00 O ATOM 368 CB PRO A 27 22.187 -1.487 -5.895 1.00 0.00 C ATOM 369 CG PRO A 27 22.422 -2.576 -6.884 1.00 0.00 C ATOM 370 CD PRO A 27 22.523 -3.846 -6.085 1.00 0.00 C ATOM 0 HA PRO A 27 21.563 -1.739 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.652 -0.651 -6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.127 -1.093 -5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.606 -2.632 -7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.336 -2.398 -7.451 1.00 0.00 H new ATOM 0 HD2 PRO A 27 22.131 -4.700 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.557 -4.079 -5.830 1.00 0.00 H new ATOM 378 N ASP A 28 19.219 -2.856 -5.668 1.00 0.00 N ATOM 379 CA ASP A 28 17.793 -2.749 -5.951 1.00 0.00 C ATOM 380 C ASP A 28 17.023 -2.315 -4.708 1.00 0.00 C ATOM 381 O ASP A 28 16.708 -3.132 -3.844 1.00 0.00 O ATOM 382 CB ASP A 28 17.251 -4.085 -6.461 1.00 0.00 C ATOM 383 CG ASP A 28 17.352 -4.213 -7.969 1.00 0.00 C ATOM 384 OD1 ASP A 28 17.243 -3.179 -8.661 1.00 0.00 O ATOM 385 OD2 ASP A 28 17.540 -5.347 -8.456 1.00 0.00 O ATOM 0 H ASP A 28 19.654 -3.713 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 28 17.657 -1.992 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.802 -4.900 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.209 -4.190 -6.159 1.00 0.00 H new ATOM 390 N ASN A 29 16.723 -1.023 -4.625 1.00 0.00 N ATOM 391 CA ASN A 29 15.991 -0.480 -3.487 1.00 0.00 C ATOM 392 C ASN A 29 14.640 0.079 -3.924 1.00 0.00 C ATOM 393 O ASN A 29 14.071 0.944 -3.260 1.00 0.00 O ATOM 394 CB ASN A 29 16.811 0.616 -2.802 1.00 0.00 C ATOM 395 CG ASN A 29 16.952 1.856 -3.664 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.032 2.228 -4.392 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.110 2.502 -3.585 1.00 0.00 N ATOM 0 H ASN A 29 16.976 -0.333 -5.332 1.00 0.00 H new ATOM 0 HA ASN A 29 15.817 -1.291 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.337 0.885 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.801 0.229 -2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.264 3.343 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.845 2.157 -2.968 1.00 0.00 H new ATOM 404 N GLU A 30 14.134 -0.423 -5.047 1.00 0.00 N ATOM 405 CA GLU A 30 12.851 0.027 -5.573 1.00 0.00 C ATOM 406 C GLU A 30 11.837 -1.114 -5.583 1.00 0.00 C ATOM 407 O GLU A 30 12.132 -2.217 -6.044 1.00 0.00 O ATOM 408 CB GLU A 30 13.022 0.584 -6.988 1.00 0.00 C ATOM 409 CG GLU A 30 14.169 1.572 -7.118 1.00 0.00 C ATOM 410 CD GLU A 30 14.241 2.204 -8.495 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.520 3.197 -8.729 1.00 0.00 O ATOM 412 OE2 GLU A 30 15.017 1.707 -9.337 1.00 0.00 O ATOM 0 H GLU A 30 14.593 -1.140 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 30 12.477 0.817 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.186 -0.244 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.096 1.073 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.056 2.355 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.109 1.062 -6.907 1.00 0.00 H new ATOM 419 N VAL A 31 10.642 -0.840 -5.070 1.00 0.00 N ATOM 420 CA VAL A 31 9.584 -1.841 -5.020 1.00 0.00 C ATOM 421 C VAL A 31 8.223 -1.219 -5.314 1.00 0.00 C ATOM 422 O VAL A 31 7.893 -0.154 -4.794 1.00 0.00 O ATOM 423 CB VAL A 31 9.533 -2.536 -3.646 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.627 -1.511 -2.526 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.264 -3.365 -3.515 1.00 0.00 C ATOM 0 H VAL A 31 10.383 0.067 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 31 9.814 -2.582 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 31 10.388 -3.207 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.589 -2.020 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.566 -0.964 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.793 -0.813 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.245 -3.849 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.394 -2.717 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.243 -4.124 -4.297 1.00 0.00 H new ATOM 435 N GLU A 32 7.439 -1.892 -6.149 1.00 0.00 N ATOM 436 CA GLU A 32 6.113 -1.404 -6.512 1.00 0.00 C ATOM 437 C GLU A 32 5.025 -2.214 -5.813 1.00 0.00 C ATOM 438 O GLU A 32 4.935 -3.430 -5.982 1.00 0.00 O ATOM 439 CB GLU A 32 5.918 -1.470 -8.028 1.00 0.00 C ATOM 440 CG GLU A 32 4.483 -1.239 -8.468 1.00 0.00 C ATOM 441 CD GLU A 32 4.382 -0.763 -9.904 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.379 -0.213 -10.418 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.307 -0.939 -10.515 1.00 0.00 O ATOM 0 H GLU A 32 7.698 -2.776 -6.587 1.00 0.00 H new ATOM 0 HA GLU A 32 6.035 -0.366 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.558 -0.725 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.246 -2.446 -8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.919 -2.165 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.020 -0.502 -7.812 1.00 0.00 H new ATOM 450 N LEU A 33 4.201 -1.530 -5.027 1.00 0.00 N ATOM 451 CA LEU A 33 3.118 -2.184 -4.300 1.00 0.00 C ATOM 452 C LEU A 33 1.762 -1.805 -4.886 1.00 0.00 C ATOM 453 O LEU A 33 1.596 -0.719 -5.443 1.00 0.00 O ATOM 454 CB LEU A 33 3.170 -1.807 -2.819 1.00 0.00 C ATOM 455 CG LEU A 33 4.552 -1.844 -2.165 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.601 -0.907 -0.968 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.906 -3.264 -1.748 1.00 0.00 C ATOM 0 H LEU A 33 4.262 -0.523 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 33 3.247 -3.262 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.763 -0.802 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.512 -2.481 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 33 5.288 -1.507 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.592 -0.947 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.392 0.112 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.855 -1.214 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.892 -3.272 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.167 -3.629 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.912 -3.910 -2.626 1.00 0.00 H new ATOM 469 N LYS A 34 0.793 -2.705 -4.755 1.00 0.00 N ATOM 470 CA LYS A 34 -0.550 -2.464 -5.268 1.00 0.00 C ATOM 471 C LYS A 34 -1.599 -2.738 -4.194 1.00 0.00 C ATOM 472 O LYS A 34 -1.421 -3.613 -3.348 1.00 0.00 O ATOM 473 CB LYS A 34 -0.816 -3.343 -6.492 1.00 0.00 C ATOM 474 CG LYS A 34 -2.134 -3.039 -7.184 1.00 0.00 C ATOM 475 CD LYS A 34 -2.332 -3.911 -8.412 1.00 0.00 C ATOM 476 CE LYS A 34 -3.472 -3.400 -9.281 1.00 0.00 C ATOM 477 NZ LYS A 34 -3.550 -4.128 -10.578 1.00 0.00 N ATOM 0 H LYS A 34 0.913 -3.609 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.619 -1.416 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.002 -3.214 -7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.809 -4.389 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.957 -3.198 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.160 -1.989 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.411 -3.935 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.540 -4.935 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.415 -3.511 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.336 -2.335 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.339 -3.751 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.660 -4.002 -11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.706 -5.141 -10.399 1.00 0.00 H new ATOM 491 N ALA A 35 -2.693 -1.984 -4.236 1.00 0.00 N ATOM 492 CA ALA A 35 -3.772 -2.148 -3.270 1.00 0.00 C ATOM 493 C ALA A 35 -5.019 -2.723 -3.932 1.00 0.00 C ATOM 494 O ALA A 35 -5.637 -2.078 -4.779 1.00 0.00 O ATOM 495 CB ALA A 35 -4.090 -0.818 -2.604 1.00 0.00 C ATOM 0 H ALA A 35 -2.855 -1.253 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.440 -2.853 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.898 -0.955 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.204 -0.448 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.397 -0.096 -3.361 1.00 0.00 H new ATOM 501 N PHE A 36 -5.384 -3.939 -3.541 1.00 0.00 N ATOM 502 CA PHE A 36 -6.558 -4.602 -4.098 1.00 0.00 C ATOM 503 C PHE A 36 -7.770 -4.414 -3.191 1.00 0.00 C ATOM 504 O PHE A 36 -7.800 -4.909 -2.065 1.00 0.00 O ATOM 505 CB PHE A 36 -6.282 -6.094 -4.296 1.00 0.00 C ATOM 506 CG PHE A 36 -5.483 -6.396 -5.532 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.068 -6.324 -6.786 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.148 -6.754 -5.440 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.336 -6.602 -7.925 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.411 -7.032 -6.575 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.006 -6.957 -7.819 1.00 0.00 C ATOM 0 H PHE A 36 -4.884 -4.486 -2.840 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.776 -4.148 -5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.748 -6.475 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.231 -6.628 -4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.108 -6.047 -6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.678 -6.817 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.804 -6.542 -8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.370 -7.308 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.432 -7.176 -8.707 1.00 0.00 H new ATOM 521 N VAL A 37 -8.770 -3.693 -3.691 1.00 0.00 N ATOM 522 CA VAL A 37 -9.985 -3.439 -2.927 1.00 0.00 C ATOM 523 C VAL A 37 -11.160 -4.235 -3.484 1.00 0.00 C ATOM 524 O VAL A 37 -11.405 -4.238 -4.690 1.00 0.00 O ATOM 525 CB VAL A 37 -10.347 -1.942 -2.929 1.00 0.00 C ATOM 526 CG1 VAL A 37 -11.625 -1.700 -2.140 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.199 -1.117 -2.368 1.00 0.00 C ATOM 0 H VAL A 37 -8.762 -3.275 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.787 -3.756 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.520 -1.629 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.865 -0.637 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.443 -2.262 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.484 -2.028 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.471 -0.062 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.992 -1.430 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.310 -1.267 -2.980 1.00 0.00 H new ATOM 537 N ALA A 38 -11.885 -4.909 -2.597 1.00 0.00 N ATOM 538 CA ALA A 38 -13.036 -5.708 -2.999 1.00 0.00 C ATOM 539 C ALA A 38 -14.213 -5.487 -2.055 1.00 0.00 C ATOM 540 O ALA A 38 -14.058 -5.422 -0.835 1.00 0.00 O ATOM 541 CB ALA A 38 -12.665 -7.182 -3.047 1.00 0.00 C ATOM 0 H ALA A 38 -11.695 -4.917 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.338 -5.389 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.534 -7.766 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.860 -7.331 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.334 -7.506 -2.060 1.00 0.00 H new ATOM 547 N PRO A 39 -15.419 -5.370 -2.629 1.00 0.00 N ATOM 548 CA PRO A 39 -15.616 -5.445 -4.080 1.00 0.00 C ATOM 549 C PRO A 39 -15.043 -4.234 -4.807 1.00 0.00 C ATOM 550 O PRO A 39 -14.691 -3.233 -4.183 1.00 0.00 O ATOM 551 CB PRO A 39 -17.139 -5.488 -4.230 1.00 0.00 C ATOM 552 CG PRO A 39 -17.659 -4.821 -3.004 1.00 0.00 C ATOM 553 CD PRO A 39 -16.684 -5.152 -1.907 1.00 0.00 C ATOM 0 HA PRO A 39 -15.107 -6.304 -4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.463 -4.968 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.501 -6.513 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.733 -3.743 -3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.659 -5.180 -2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.600 -4.339 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.989 -6.040 -1.353 1.00 0.00 H new ATOM 561 N ALA A 40 -14.952 -4.331 -6.129 1.00 0.00 N ATOM 562 CA ALA A 40 -14.424 -3.241 -6.941 1.00 0.00 C ATOM 563 C ALA A 40 -15.506 -2.213 -7.251 1.00 0.00 C ATOM 564 O ALA A 40 -16.652 -2.552 -7.549 1.00 0.00 O ATOM 565 CB ALA A 40 -13.826 -3.786 -8.230 1.00 0.00 C ATOM 0 H ALA A 40 -15.237 -5.153 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.640 -2.743 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.435 -2.962 -8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.017 -4.477 -7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.596 -4.310 -8.795 1.00 0.00 H new ATOM 571 N PRO A 41 -15.138 -0.925 -7.178 1.00 0.00 N ATOM 572 CA PRO A 41 -16.064 0.179 -7.447 1.00 0.00 C ATOM 573 C PRO A 41 -16.445 0.270 -8.921 1.00 0.00 C ATOM 574 O PRO A 41 -15.732 -0.210 -9.802 1.00 0.00 O ATOM 575 CB PRO A 41 -15.271 1.418 -7.023 1.00 0.00 C ATOM 576 CG PRO A 41 -13.842 1.018 -7.159 1.00 0.00 C ATOM 577 CD PRO A 41 -13.790 -0.448 -6.828 1.00 0.00 C ATOM 0 HA PRO A 41 -17.008 0.057 -6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.505 2.274 -7.657 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.506 1.707 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.479 1.203 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.209 1.594 -6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.020 -0.963 -7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.566 -0.614 -5.774 1.00 0.00 H new ATOM 585 N PRO A 42 -17.597 0.899 -9.197 1.00 0.00 N ATOM 586 CA PRO A 42 -18.099 1.067 -10.564 1.00 0.00 C ATOM 587 C PRO A 42 -17.256 2.047 -11.374 1.00 0.00 C ATOM 588 O PRO A 42 -16.129 2.369 -10.999 1.00 0.00 O ATOM 589 CB PRO A 42 -19.511 1.621 -10.358 1.00 0.00 C ATOM 590 CG PRO A 42 -19.465 2.291 -9.028 1.00 0.00 C ATOM 591 CD PRO A 42 -18.498 1.494 -8.196 1.00 0.00 C ATOM 0 HA PRO A 42 -18.070 0.134 -11.126 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.779 2.324 -11.146 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -20.255 0.825 -10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -19.137 3.326 -9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -20.452 2.311 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.956 2.127 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -19.008 0.730 -7.609 1.00 0.00 H new ATOM 599 N VAL A 43 -17.810 2.518 -12.487 1.00 0.00 N ATOM 600 CA VAL A 43 -17.110 3.462 -13.349 1.00 0.00 C ATOM 601 C VAL A 43 -17.323 4.897 -12.881 1.00 0.00 C ATOM 602 O VAL A 43 -16.447 5.747 -13.036 1.00 0.00 O ATOM 603 CB VAL A 43 -17.575 3.337 -14.813 1.00 0.00 C ATOM 604 CG1 VAL A 43 -19.050 2.972 -14.875 1.00 0.00 C ATOM 605 CG2 VAL A 43 -17.304 4.629 -15.569 1.00 0.00 C ATOM 0 H VAL A 43 -18.742 2.261 -12.813 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.049 3.217 -13.290 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.008 2.538 -15.290 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.361 2.888 -15.916 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -19.211 2.019 -14.371 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -19.638 3.747 -14.382 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.638 4.524 -16.601 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.844 5.448 -15.095 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.235 4.842 -15.554 1.00 0.00 H new ATOM 615 N GLU A 44 -18.493 5.158 -12.306 1.00 0.00 N ATOM 616 CA GLU A 44 -18.821 6.491 -11.814 1.00 0.00 C ATOM 617 C GLU A 44 -18.334 6.677 -10.380 1.00 0.00 C ATOM 618 O GLU A 44 -18.734 7.618 -9.693 1.00 0.00 O ATOM 619 CB GLU A 44 -20.331 6.729 -11.887 1.00 0.00 C ATOM 620 CG GLU A 44 -21.153 5.455 -11.783 1.00 0.00 C ATOM 621 CD GLU A 44 -22.642 5.728 -11.690 1.00 0.00 C ATOM 622 OE1 GLU A 44 -23.109 6.092 -10.590 1.00 0.00 O ATOM 623 OE2 GLU A 44 -23.338 5.578 -12.715 1.00 0.00 O ATOM 0 H GLU A 44 -19.229 4.465 -12.170 1.00 0.00 H new ATOM 0 HA GLU A 44 -18.315 7.219 -12.448 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.623 7.406 -11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.567 7.228 -12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -20.956 4.828 -12.652 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.835 4.892 -10.905 1.00 0.00 H new ATOM 630 N THR A 45 -17.468 5.773 -9.933 1.00 0.00 N ATOM 631 CA THR A 45 -16.928 5.836 -8.581 1.00 0.00 C ATOM 632 C THR A 45 -15.571 5.145 -8.499 1.00 0.00 C ATOM 633 O THR A 45 -15.404 4.022 -8.976 1.00 0.00 O ATOM 634 CB THR A 45 -17.884 5.186 -7.563 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.197 5.743 -7.700 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.385 5.396 -6.141 1.00 0.00 C ATOM 0 H THR A 45 -17.126 4.989 -10.488 1.00 0.00 H new ATOM 0 HA THR A 45 -16.811 6.892 -8.336 1.00 0.00 H new ATOM 0 HB THR A 45 -17.920 4.115 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.800 5.324 -7.051 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.076 4.928 -5.440 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.398 4.947 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.323 6.464 -5.931 1.00 0.00 H new ATOM 644 N THR A 46 -14.603 5.822 -7.889 1.00 0.00 N ATOM 645 CA THR A 46 -13.261 5.273 -7.744 1.00 0.00 C ATOM 646 C THR A 46 -12.704 5.543 -6.351 1.00 0.00 C ATOM 647 O THR A 46 -12.412 6.686 -5.999 1.00 0.00 O ATOM 648 CB THR A 46 -12.298 5.861 -8.792 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.623 7.233 -9.042 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.367 5.074 -10.092 1.00 0.00 C ATOM 0 H THR A 46 -14.724 6.752 -7.487 1.00 0.00 H new ATOM 0 HA THR A 46 -13.341 4.197 -7.898 1.00 0.00 H new ATOM 0 HB THR A 46 -11.284 5.794 -8.398 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.005 7.599 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.678 5.508 -10.817 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.090 4.037 -9.904 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.382 5.113 -10.487 1.00 0.00 H new ATOM 658 N TYR A 47 -12.559 4.484 -5.562 1.00 0.00 N ATOM 659 CA TYR A 47 -12.038 4.608 -4.206 1.00 0.00 C ATOM 660 C TYR A 47 -10.700 5.340 -4.200 1.00 0.00 C ATOM 661 O TYR A 47 -9.963 5.316 -5.185 1.00 0.00 O ATOM 662 CB TYR A 47 -11.878 3.225 -3.571 1.00 0.00 C ATOM 663 CG TYR A 47 -13.174 2.455 -3.463 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.366 3.100 -3.160 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.207 1.080 -3.667 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.553 2.400 -3.060 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.389 0.372 -3.570 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.559 1.036 -3.266 1.00 0.00 C ATOM 669 OH TYR A 47 -16.739 0.335 -3.169 1.00 0.00 O ATOM 0 H TYR A 47 -12.795 3.531 -5.838 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.751 5.189 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.168 2.644 -4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.449 3.339 -2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.365 4.168 -3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.293 0.557 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.471 2.918 -2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.397 -0.696 -3.731 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.571 -0.615 -3.343 1.00 0.00 H new ATOM 679 N ASN A 48 -10.393 5.990 -3.083 1.00 0.00 N ATOM 680 CA ASN A 48 -9.143 6.730 -2.947 1.00 0.00 C ATOM 681 C ASN A 48 -8.093 5.897 -2.219 1.00 0.00 C ATOM 682 O ASN A 48 -8.367 5.314 -1.169 1.00 0.00 O ATOM 683 CB ASN A 48 -9.381 8.041 -2.195 1.00 0.00 C ATOM 684 CG ASN A 48 -10.268 8.998 -2.968 1.00 0.00 C ATOM 685 OD1 ASN A 48 -11.494 8.933 -2.883 1.00 0.00 O ATOM 686 ND2 ASN A 48 -9.650 9.894 -3.729 1.00 0.00 N ATOM 0 H ASN A 48 -10.992 6.020 -2.258 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.773 6.954 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.839 7.825 -1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.423 8.520 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.194 10.564 -4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.631 9.912 -3.770 1.00 0.00 H new ATOM 693 N TYR A 49 -6.892 5.845 -2.783 1.00 0.00 N ATOM 694 CA TYR A 49 -5.801 5.081 -2.188 1.00 0.00 C ATOM 695 C TYR A 49 -4.825 6.001 -1.461 1.00 0.00 C ATOM 696 O TYR A 49 -4.066 6.738 -2.088 1.00 0.00 O ATOM 697 CB TYR A 49 -5.062 4.285 -3.265 1.00 0.00 C ATOM 698 CG TYR A 49 -5.973 3.436 -4.123 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.383 2.177 -3.700 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.423 3.891 -5.356 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.214 1.397 -4.480 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.256 3.119 -6.142 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.649 1.873 -5.700 1.00 0.00 C ATOM 704 OH TYR A 49 -8.477 1.100 -6.481 1.00 0.00 O ATOM 0 H TYR A 49 -6.649 6.322 -3.651 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.229 4.389 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.515 4.977 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.324 3.642 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.046 1.802 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.116 4.865 -5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.522 0.420 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.598 3.489 -7.097 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.691 1.582 -7.307 1.00 0.00 H new ATOM 714 N GLU A 50 -4.853 5.950 -0.133 1.00 0.00 N ATOM 715 CA GLU A 50 -3.971 6.779 0.681 1.00 0.00 C ATOM 716 C GLU A 50 -2.971 5.919 1.449 1.00 0.00 C ATOM 717 O GLU A 50 -3.327 5.253 2.421 1.00 0.00 O ATOM 718 CB GLU A 50 -4.789 7.625 1.660 1.00 0.00 C ATOM 719 CG GLU A 50 -3.952 8.278 2.746 1.00 0.00 C ATOM 720 CD GLU A 50 -4.781 9.129 3.689 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.989 8.849 3.834 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.221 10.075 4.281 1.00 0.00 O ATOM 0 H GLU A 50 -5.476 5.344 0.402 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.419 7.440 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.317 8.400 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.547 6.995 2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.438 7.505 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.183 8.898 2.284 1.00 0.00 H new ATOM 729 N TRP A 51 -1.720 5.938 1.004 1.00 0.00 N ATOM 730 CA TRP A 51 -0.668 5.160 1.648 1.00 0.00 C ATOM 731 C TRP A 51 -0.010 5.957 2.768 1.00 0.00 C ATOM 732 O TRP A 51 -0.014 7.187 2.752 1.00 0.00 O ATOM 733 CB TRP A 51 0.383 4.737 0.620 1.00 0.00 C ATOM 734 CG TRP A 51 -0.119 3.718 -0.358 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.748 3.962 -1.545 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.035 2.294 -0.232 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.061 2.776 -2.165 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.633 1.738 -1.380 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.489 1.435 0.738 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.721 0.364 -1.581 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.400 0.071 0.537 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.200 -0.454 -0.615 1.00 0.00 C ATOM 0 H TRP A 51 -1.409 6.483 0.200 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.122 4.269 2.081 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.722 5.618 0.074 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.250 4.332 1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.967 4.943 -1.939 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.535 2.684 -3.063 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.955 1.830 1.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.184 -0.043 -2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.800 -0.602 1.281 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.252 -1.525 -0.743 1.00 0.00 H new ATOM 753 N ASN A 52 0.556 5.247 3.740 1.00 0.00 N ATOM 754 CA ASN A 52 1.218 5.890 4.869 1.00 0.00 C ATOM 755 C ASN A 52 2.188 4.929 5.550 1.00 0.00 C ATOM 756 O ASN A 52 1.882 3.751 5.738 1.00 0.00 O ATOM 757 CB ASN A 52 0.182 6.387 5.879 1.00 0.00 C ATOM 758 CG ASN A 52 -0.330 7.776 5.547 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.389 8.765 5.689 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.578 7.855 5.101 1.00 0.00 N ATOM 0 H ASN A 52 0.569 4.227 3.768 1.00 0.00 H new ATOM 0 HA ASN A 52 1.783 6.741 4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.656 5.691 5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.624 6.394 6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.977 8.762 4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.138 7.008 4.999 1.00 0.00 H new ATOM 767 N LEU A 53 3.358 5.439 5.917 1.00 0.00 N ATOM 768 CA LEU A 53 4.374 4.627 6.578 1.00 0.00 C ATOM 769 C LEU A 53 4.303 4.793 8.092 1.00 0.00 C ATOM 770 O LEU A 53 4.624 5.855 8.626 1.00 0.00 O ATOM 771 CB LEU A 53 5.767 5.010 6.076 1.00 0.00 C ATOM 772 CG LEU A 53 6.906 4.073 6.480 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.692 2.687 5.892 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.246 4.642 6.036 1.00 0.00 C ATOM 0 H LEU A 53 3.627 6.412 5.768 1.00 0.00 H new ATOM 0 HA LEU A 53 4.182 3.582 6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.737 5.065 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.000 6.011 6.439 1.00 0.00 H new ATOM 0 HG LEU A 53 6.912 3.986 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.513 2.035 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.751 2.277 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.659 2.754 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.046 3.963 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.251 4.758 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.403 5.613 6.506 1.00 0.00 H new ATOM 786 N ILE A 54 3.883 3.736 8.779 1.00 0.00 N ATOM 787 CA ILE A 54 3.774 3.764 10.232 1.00 0.00 C ATOM 788 C ILE A 54 4.946 3.040 10.886 1.00 0.00 C ATOM 789 O ILE A 54 5.349 3.369 12.001 1.00 0.00 O ATOM 790 CB ILE A 54 2.458 3.122 10.711 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.297 1.725 10.107 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.274 4.004 10.342 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.505 1.711 8.818 1.00 0.00 C ATOM 0 H ILE A 54 3.613 2.850 8.353 1.00 0.00 H new ATOM 0 HA ILE A 54 3.787 4.813 10.528 1.00 0.00 H new ATOM 0 HB ILE A 54 2.491 3.026 11.796 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.284 1.302 9.922 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.805 1.079 10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.351 3.537 10.687 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.386 4.980 10.815 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.236 4.127 9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.431 0.689 8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.505 2.104 9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.008 2.331 8.075 1.00 0.00 H new ATOM 805 N SER A 55 5.491 2.053 10.182 1.00 0.00 N ATOM 806 CA SER A 55 6.617 1.280 10.694 1.00 0.00 C ATOM 807 C SER A 55 7.841 1.445 9.799 1.00 0.00 C ATOM 808 O SER A 55 7.786 1.181 8.597 1.00 0.00 O ATOM 809 CB SER A 55 6.243 -0.199 10.798 1.00 0.00 C ATOM 810 OG SER A 55 6.943 -0.830 11.857 1.00 0.00 O ATOM 0 H SER A 55 5.171 1.770 9.256 1.00 0.00 H new ATOM 0 HA SER A 55 6.862 1.656 11.687 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.169 -0.295 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.470 -0.702 9.858 1.00 0.00 H new ATOM 0 HG SER A 55 6.685 -1.774 11.903 1.00 0.00 H new ATOM 816 N HIS A 56 8.947 1.883 10.393 1.00 0.00 N ATOM 817 CA HIS A 56 10.186 2.083 9.650 1.00 0.00 C ATOM 818 C HIS A 56 11.339 2.411 10.594 1.00 0.00 C ATOM 819 O HIS A 56 11.160 3.047 11.633 1.00 0.00 O ATOM 820 CB HIS A 56 10.016 3.205 8.625 1.00 0.00 C ATOM 821 CG HIS A 56 9.712 4.536 9.239 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.659 5.526 9.398 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.557 5.040 9.734 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.100 6.580 9.965 1.00 0.00 C ATOM 825 NE2 HIS A 56 8.825 6.311 10.179 1.00 0.00 N ATOM 0 H HIS A 56 9.010 2.106 11.386 1.00 0.00 H new ATOM 0 HA HIS A 56 10.420 1.156 9.127 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.928 3.287 8.034 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.213 2.939 7.938 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.603 4.536 9.772 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.601 7.505 10.212 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.149 6.945 10.606 1.00 0.00 H new ATOM 834 N PRO A 57 12.550 1.968 10.226 1.00 0.00 N ATOM 835 CA PRO A 57 13.755 2.203 11.027 1.00 0.00 C ATOM 836 C PRO A 57 14.180 3.667 11.019 1.00 0.00 C ATOM 837 O PRO A 57 14.199 4.314 9.971 1.00 0.00 O ATOM 838 CB PRO A 57 14.813 1.336 10.339 1.00 0.00 C ATOM 839 CG PRO A 57 14.339 1.204 8.933 1.00 0.00 C ATOM 840 CD PRO A 57 12.837 1.204 9.000 1.00 0.00 C ATOM 0 HA PRO A 57 13.600 1.958 12.078 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.797 1.803 10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.901 0.362 10.820 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.702 2.029 8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.709 0.284 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.396 1.674 8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.437 0.191 9.055 1.00 0.00 H new ATOM 848 N THR A 58 14.522 4.186 12.194 1.00 0.00 N ATOM 849 CA THR A 58 14.946 5.575 12.323 1.00 0.00 C ATOM 850 C THR A 58 15.986 5.932 11.266 1.00 0.00 C ATOM 851 O THR A 58 16.074 7.081 10.832 1.00 0.00 O ATOM 852 CB THR A 58 15.533 5.856 13.719 1.00 0.00 C ATOM 853 OG1 THR A 58 15.373 7.241 14.047 1.00 0.00 O ATOM 854 CG2 THR A 58 17.007 5.484 13.772 1.00 0.00 C ATOM 0 H THR A 58 14.514 3.665 13.071 1.00 0.00 H new ATOM 0 HA THR A 58 14.058 6.191 12.179 1.00 0.00 H new ATOM 0 HB THR A 58 14.995 5.246 14.445 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.747 7.412 14.937 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.399 5.691 14.768 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.123 4.423 13.550 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.557 6.071 13.036 1.00 0.00 H new ATOM 862 N ASP A 59 16.769 4.941 10.855 1.00 0.00 N ATOM 863 CA ASP A 59 17.802 5.151 9.847 1.00 0.00 C ATOM 864 C ASP A 59 17.187 5.590 8.522 1.00 0.00 C ATOM 865 O ASP A 59 17.769 6.393 7.792 1.00 0.00 O ATOM 866 CB ASP A 59 18.616 3.872 9.646 1.00 0.00 C ATOM 867 CG ASP A 59 19.458 3.525 10.858 1.00 0.00 C ATOM 868 OD1 ASP A 59 18.873 3.237 11.923 1.00 0.00 O ATOM 869 OD2 ASP A 59 20.701 3.542 10.742 1.00 0.00 O ATOM 0 H ASP A 59 16.708 3.984 11.204 1.00 0.00 H new ATOM 0 HA ASP A 59 18.464 5.942 10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.940 3.045 9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.265 3.990 8.778 1.00 0.00 H new ATOM 874 N TYR A 60 16.008 5.059 8.218 1.00 0.00 N ATOM 875 CA TYR A 60 15.315 5.393 6.980 1.00 0.00 C ATOM 876 C TYR A 60 15.365 6.895 6.716 1.00 0.00 C ATOM 877 O TYR A 60 15.342 7.700 7.647 1.00 0.00 O ATOM 878 CB TYR A 60 13.861 4.923 7.041 1.00 0.00 C ATOM 879 CG TYR A 60 13.028 5.375 5.863 1.00 0.00 C ATOM 880 CD1 TYR A 60 13.393 5.048 4.563 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.877 6.130 6.049 1.00 0.00 C ATOM 882 CE1 TYR A 60 12.636 5.459 3.483 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.113 6.545 4.976 1.00 0.00 C ATOM 884 CZ TYR A 60 11.497 6.207 3.695 1.00 0.00 C ATOM 885 OH TYR A 60 10.739 6.619 2.622 1.00 0.00 O ATOM 0 H TYR A 60 15.512 4.395 8.813 1.00 0.00 H new ATOM 0 HA TYR A 60 15.821 4.881 6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.842 3.834 7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.407 5.293 7.960 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.284 4.462 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.574 6.397 7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.934 5.196 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.220 7.131 5.139 1.00 0.00 H new ATOM 0 HH TYR A 60 10.819 5.967 1.895 1.00 0.00 H new ATOM 934 N ILE A 64 7.890 9.196 1.283 1.00 0.00 N ATOM 935 CA ILE A 64 6.761 8.684 0.516 1.00 0.00 C ATOM 936 C ILE A 64 5.697 9.759 0.320 1.00 0.00 C ATOM 937 O ILE A 64 5.547 10.658 1.148 1.00 0.00 O ATOM 938 CB ILE A 64 6.122 7.463 1.202 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.206 6.506 1.702 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.180 6.750 0.243 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.672 5.394 2.578 1.00 0.00 C ATOM 0 HA ILE A 64 7.151 8.381 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 64 5.544 7.808 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.717 6.069 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.950 7.073 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.736 5.889 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.392 7.435 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.737 6.415 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.495 4.754 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.186 5.823 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.949 4.803 2.015 1.00 0.00 H new ATOM 953 N LYS A 65 4.959 9.659 -0.780 1.00 0.00 N ATOM 954 CA LYS A 65 3.905 10.620 -1.084 1.00 0.00 C ATOM 955 C LYS A 65 2.528 10.012 -0.840 1.00 0.00 C ATOM 956 O LYS A 65 1.553 10.378 -1.497 1.00 0.00 O ATOM 957 CB LYS A 65 4.018 11.088 -2.537 1.00 0.00 C ATOM 958 CG LYS A 65 5.381 11.659 -2.888 1.00 0.00 C ATOM 959 CD LYS A 65 5.428 13.163 -2.672 1.00 0.00 C ATOM 960 CE LYS A 65 5.928 13.510 -1.278 1.00 0.00 C ATOM 961 NZ LYS A 65 5.800 14.965 -0.989 1.00 0.00 N ATOM 0 H LYS A 65 5.071 8.922 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 65 4.026 11.477 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.804 10.248 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.257 11.845 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.146 11.179 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.615 11.432 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.080 13.619 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.433 13.584 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.364 12.942 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.972 13.211 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.151 15.161 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.358 15.506 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.801 15.246 -1.056 1.00 0.00 H new ATOM 975 N GLN A 66 2.455 9.084 0.108 1.00 0.00 N ATOM 976 CA GLN A 66 1.195 8.427 0.438 1.00 0.00 C ATOM 977 C GLN A 66 0.554 7.823 -0.806 1.00 0.00 C ATOM 978 O GLN A 66 -0.661 7.640 -0.864 1.00 0.00 O ATOM 979 CB GLN A 66 0.233 9.421 1.091 1.00 0.00 C ATOM 980 CG GLN A 66 0.726 9.961 2.424 1.00 0.00 C ATOM 981 CD GLN A 66 0.230 11.365 2.705 1.00 0.00 C ATOM 982 OE1 GLN A 66 0.227 12.223 1.822 1.00 0.00 O ATOM 983 NE2 GLN A 66 -0.193 11.608 3.940 1.00 0.00 N ATOM 0 H GLN A 66 3.252 8.770 0.661 1.00 0.00 H new ATOM 0 HA GLN A 66 1.407 7.622 1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.068 10.255 0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.732 8.936 1.240 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.398 9.297 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.816 9.956 2.433 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.173 10.867 4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.538 12.535 4.188 1.00 0.00 H new ATOM 992 N GLY A 67 1.380 7.515 -1.802 1.00 0.00 N ATOM 993 CA GLY A 67 0.875 6.935 -3.032 1.00 0.00 C ATOM 994 C GLY A 67 -0.516 7.428 -3.378 1.00 0.00 C ATOM 995 O GLY A 67 -1.511 6.777 -3.056 1.00 0.00 O ATOM 0 H GLY A 67 2.390 7.657 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.556 7.175 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.859 5.849 -2.938 1.00 0.00 H new ATOM 999 N HIS A 68 -0.587 8.582 -4.033 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.868 9.163 -4.421 1.00 0.00 C ATOM 1001 C HIS A 68 -2.612 8.243 -5.384 1.00 0.00 C ATOM 1002 O HIS A 68 -3.784 8.463 -5.689 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.655 10.532 -5.068 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.604 11.659 -4.082 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.214 11.493 -2.770 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -1.894 12.973 -4.224 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -1.268 12.657 -2.147 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.678 13.572 -3.007 1.00 0.00 N ATOM 0 H HIS A 68 0.226 9.133 -4.306 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.472 9.284 -3.522 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.725 10.515 -5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.460 10.718 -5.779 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.232 13.460 -5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.019 12.831 -1.111 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.812 14.562 -2.801 1.00 0.00 H new ATOM 1017 N LYS A 69 -1.923 7.211 -5.860 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.518 6.257 -6.788 1.00 0.00 C ATOM 1019 C LYS A 69 -2.715 4.899 -6.120 1.00 0.00 C ATOM 1020 O LYS A 69 -2.361 4.714 -4.956 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.637 6.103 -8.029 1.00 0.00 C ATOM 1022 CG LYS A 69 -1.190 7.427 -8.625 1.00 0.00 C ATOM 1023 CD LYS A 69 -0.934 7.308 -10.119 1.00 0.00 C ATOM 1024 CE LYS A 69 0.458 6.767 -10.405 1.00 0.00 C ATOM 1025 NZ LYS A 69 1.468 7.856 -10.499 1.00 0.00 N ATOM 0 H LYS A 69 -0.952 7.014 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.493 6.640 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.757 5.515 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.184 5.540 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.953 8.184 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.282 7.764 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.680 6.650 -10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.049 8.285 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.746 6.072 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.444 6.203 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.403 7.446 -10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.207 8.506 -11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.500 8.378 -9.600 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.280 3.955 -6.865 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.522 2.614 -6.344 1.00 0.00 C ATOM 1041 C GLN A 70 -2.209 1.870 -6.126 1.00 0.00 C ATOM 1042 O GLN A 70 -2.139 0.932 -5.331 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.416 1.826 -7.303 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.551 0.356 -6.938 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.129 -0.475 -8.067 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -5.113 -0.063 -9.227 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.645 -1.651 -7.732 1.00 0.00 N ATOM 0 H GLN A 70 -3.579 4.093 -7.830 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.028 2.710 -5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.407 2.280 -7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.012 1.906 -8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.572 -0.038 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.188 0.261 -6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.637 -1.953 -6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.050 -2.253 -8.449 1.00 0.00 H new ATOM 1056 N THR A 71 -1.168 2.294 -6.837 1.00 0.00 N ATOM 1057 CA THR A 71 0.142 1.667 -6.722 1.00 0.00 C ATOM 1058 C THR A 71 1.159 2.626 -6.114 1.00 0.00 C ATOM 1059 O THR A 71 1.225 3.797 -6.488 1.00 0.00 O ATOM 1060 CB THR A 71 0.659 1.189 -8.092 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.214 2.081 -9.121 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.175 -0.221 -8.392 1.00 0.00 C ATOM 0 H THR A 71 -1.208 3.069 -7.499 1.00 0.00 H new ATOM 0 HA THR A 71 0.023 0.804 -6.066 1.00 0.00 H new ATOM 0 HB THR A 71 1.749 1.183 -8.062 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.548 1.772 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.553 -0.536 -9.365 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.539 -0.902 -7.623 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.915 -0.237 -8.404 1.00 0.00 H new ATOM 1070 N LEU A 72 1.952 2.122 -5.175 1.00 0.00 N ATOM 1071 CA LEU A 72 2.968 2.935 -4.515 1.00 0.00 C ATOM 1072 C LEU A 72 4.369 2.434 -4.852 1.00 0.00 C ATOM 1073 O LEU A 72 4.693 1.268 -4.630 1.00 0.00 O ATOM 1074 CB LEU A 72 2.759 2.917 -2.999 1.00 0.00 C ATOM 1075 CG LEU A 72 3.756 3.731 -2.174 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.569 5.219 -2.428 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.604 3.417 -0.693 1.00 0.00 C ATOM 0 H LEU A 72 1.911 1.155 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 72 2.871 3.959 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.756 3.286 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.797 1.882 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 72 4.765 3.455 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.287 5.783 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.729 5.431 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.557 5.511 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.321 4.005 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.593 3.664 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.789 2.356 -0.525 1.00 0.00 H new ATOM 1089 N ASN A 73 5.198 3.326 -5.387 1.00 0.00 N ATOM 1090 CA ASN A 73 6.565 2.975 -5.753 1.00 0.00 C ATOM 1091 C ASN A 73 7.565 3.601 -4.785 1.00 0.00 C ATOM 1092 O ASN A 73 7.473 4.785 -4.460 1.00 0.00 O ATOM 1093 CB ASN A 73 6.866 3.433 -7.181 1.00 0.00 C ATOM 1094 CG ASN A 73 6.572 2.356 -8.208 1.00 0.00 C ATOM 1095 OD1 ASN A 73 7.452 1.947 -8.965 1.00 0.00 O ATOM 1096 ND2 ASN A 73 5.328 1.891 -8.238 1.00 0.00 N ATOM 0 H ASN A 73 4.946 4.296 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 73 6.663 1.891 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.273 4.319 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.914 3.724 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.071 1.166 -8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.630 2.259 -7.591 1.00 0.00 H new ATOM 1103 N LEU A 74 8.519 2.798 -4.328 1.00 0.00 N ATOM 1104 CA LEU A 74 9.538 3.272 -3.398 1.00 0.00 C ATOM 1105 C LEU A 74 10.894 3.386 -4.087 1.00 0.00 C ATOM 1106 O LEU A 74 11.175 2.671 -5.049 1.00 0.00 O ATOM 1107 CB LEU A 74 9.640 2.329 -2.198 1.00 0.00 C ATOM 1108 CG LEU A 74 8.728 2.649 -1.013 1.00 0.00 C ATOM 1109 CD1 LEU A 74 8.899 4.098 -0.584 1.00 0.00 C ATOM 1110 CD2 LEU A 74 7.275 2.363 -1.366 1.00 0.00 C ATOM 0 H LEU A 74 8.608 1.815 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 74 9.244 4.262 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.420 1.317 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.672 2.330 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 74 9.011 2.009 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.242 4.307 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.934 4.271 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.643 4.756 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.640 2.596 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.979 2.978 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.164 1.310 -1.624 1.00 0.00 H new ATOM 1122 N SER A 75 11.733 4.287 -3.586 1.00 0.00 N ATOM 1123 CA SER A 75 13.060 4.495 -4.154 1.00 0.00 C ATOM 1124 C SER A 75 14.065 4.858 -3.066 1.00 0.00 C ATOM 1125 O SER A 75 13.687 5.266 -1.968 1.00 0.00 O ATOM 1126 CB SER A 75 13.017 5.598 -5.213 1.00 0.00 C ATOM 1127 OG SER A 75 13.078 6.882 -4.615 1.00 0.00 O ATOM 0 H SER A 75 11.517 4.885 -2.788 1.00 0.00 H new ATOM 0 HA SER A 75 13.378 3.564 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.851 5.475 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.102 5.509 -5.798 1.00 0.00 H new ATOM 0 HG SER A 75 13.051 7.570 -5.313 1.00 0.00 H new ATOM 1133 N GLN A 76 15.348 4.706 -3.379 1.00 0.00 N ATOM 1134 CA GLN A 76 16.409 5.016 -2.428 1.00 0.00 C ATOM 1135 C GLN A 76 16.127 4.380 -1.071 1.00 0.00 C ATOM 1136 O GLN A 76 16.445 4.952 -0.028 1.00 0.00 O ATOM 1137 CB GLN A 76 16.557 6.531 -2.274 1.00 0.00 C ATOM 1138 CG GLN A 76 17.232 7.200 -3.460 1.00 0.00 C ATOM 1139 CD GLN A 76 17.736 8.593 -3.135 1.00 0.00 C ATOM 1140 OE1 GLN A 76 17.034 9.583 -3.341 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.959 8.676 -2.623 1.00 0.00 N ATOM 0 H GLN A 76 15.678 4.370 -4.284 1.00 0.00 H new ATOM 0 HA GLN A 76 17.341 4.604 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.570 6.972 -2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.133 6.742 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.067 6.584 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.527 7.257 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.506 7.829 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.351 9.587 -2.384 1.00 0.00 H new ATOM 1150 N LEU A 77 15.528 3.194 -1.093 1.00 0.00 N ATOM 1151 CA LEU A 77 15.203 2.479 0.137 1.00 0.00 C ATOM 1152 C LEU A 77 16.461 1.913 0.787 1.00 0.00 C ATOM 1153 O LEU A 77 17.265 1.248 0.133 1.00 0.00 O ATOM 1154 CB LEU A 77 14.213 1.350 -0.154 1.00 0.00 C ATOM 1155 CG LEU A 77 12.741 1.754 -0.242 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.899 0.596 -0.754 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.235 2.225 1.114 1.00 0.00 C ATOM 0 H LEU A 77 15.258 2.708 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 77 14.746 3.186 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.497 0.879 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.316 0.594 0.625 1.00 0.00 H new ATOM 0 HG LEU A 77 12.653 2.580 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.854 0.902 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.245 0.305 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.993 -0.251 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.186 2.508 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.338 1.419 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.819 3.085 1.441 1.00 0.00 H new ATOM 1169 N SER A 78 16.625 2.179 2.079 1.00 0.00 N ATOM 1170 CA SER A 78 17.786 1.698 2.817 1.00 0.00 C ATOM 1171 C SER A 78 17.477 0.376 3.514 1.00 0.00 C ATOM 1172 O SER A 78 16.329 0.095 3.856 1.00 0.00 O ATOM 1173 CB SER A 78 18.229 2.738 3.848 1.00 0.00 C ATOM 1174 OG SER A 78 18.433 4.003 3.241 1.00 0.00 O ATOM 0 H SER A 78 15.968 2.725 2.636 1.00 0.00 H new ATOM 0 HA SER A 78 18.595 1.534 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.475 2.824 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.150 2.409 4.329 1.00 0.00 H new ATOM 0 HG SER A 78 18.714 4.651 3.921 1.00 0.00 H new ATOM 1180 N VAL A 79 18.512 -0.433 3.719 1.00 0.00 N ATOM 1181 CA VAL A 79 18.353 -1.726 4.376 1.00 0.00 C ATOM 1182 C VAL A 79 17.468 -1.609 5.611 1.00 0.00 C ATOM 1183 O VAL A 79 17.751 -0.830 6.520 1.00 0.00 O ATOM 1184 CB VAL A 79 19.714 -2.317 4.787 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.524 -3.640 5.513 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.608 -2.493 3.568 1.00 0.00 C ATOM 0 H VAL A 79 19.469 -0.216 3.440 1.00 0.00 H new ATOM 0 HA VAL A 79 17.879 -2.392 3.655 1.00 0.00 H new ATOM 0 HB VAL A 79 20.201 -1.621 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.497 -4.043 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.923 -3.481 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.016 -4.346 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.566 -2.912 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 79 20.128 -3.168 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.771 -1.525 3.094 1.00 0.00 H new ATOM 1196 N GLY A 80 16.393 -2.391 5.638 1.00 0.00 N ATOM 1197 CA GLY A 80 15.482 -2.361 6.767 1.00 0.00 C ATOM 1198 C GLY A 80 14.073 -2.772 6.387 1.00 0.00 C ATOM 1199 O GLY A 80 13.774 -2.975 5.210 1.00 0.00 O ATOM 0 H GLY A 80 16.137 -3.045 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.853 -3.026 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.463 -1.356 7.188 1.00 0.00 H new ATOM 1203 N LEU A 81 13.205 -2.898 7.385 1.00 0.00 N ATOM 1204 CA LEU A 81 11.820 -3.290 7.150 1.00 0.00 C ATOM 1205 C LEU A 81 10.909 -2.067 7.105 1.00 0.00 C ATOM 1206 O LEU A 81 11.180 -1.054 7.749 1.00 0.00 O ATOM 1207 CB LEU A 81 11.349 -4.251 8.242 1.00 0.00 C ATOM 1208 CG LEU A 81 9.956 -4.853 8.051 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.954 -5.839 6.894 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.487 -5.529 9.331 1.00 0.00 C ATOM 0 H LEU A 81 13.436 -2.734 8.365 1.00 0.00 H new ATOM 0 HA LEU A 81 11.769 -3.794 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.068 -5.067 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.367 -3.723 9.195 1.00 0.00 H new ATOM 0 HG LEU A 81 9.262 -4.046 7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.954 -6.257 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.245 -5.325 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.661 -6.643 7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.494 -5.952 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.182 -6.325 9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.448 -4.796 10.136 1.00 0.00 H new ATOM 1222 N TYR A 82 9.827 -2.170 6.341 1.00 0.00 N ATOM 1223 CA TYR A 82 8.875 -1.073 6.212 1.00 0.00 C ATOM 1224 C TYR A 82 7.446 -1.600 6.119 1.00 0.00 C ATOM 1225 O TYR A 82 7.174 -2.570 5.412 1.00 0.00 O ATOM 1226 CB TYR A 82 9.201 -0.231 4.978 1.00 0.00 C ATOM 1227 CG TYR A 82 10.623 0.281 4.952 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.665 -0.528 4.516 1.00 0.00 C ATOM 1229 CD2 TYR A 82 10.926 1.573 5.365 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.967 -0.066 4.492 1.00 0.00 C ATOM 1231 CE2 TYR A 82 12.224 2.044 5.342 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.241 1.221 4.905 1.00 0.00 C ATOM 1233 OH TYR A 82 14.536 1.687 4.883 1.00 0.00 O ATOM 0 H TYR A 82 9.587 -3.002 5.802 1.00 0.00 H new ATOM 0 HA TYR A 82 8.955 -0.449 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.022 -0.828 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.518 0.617 4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.454 -1.536 4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.133 2.220 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.765 -0.709 4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 82 12.442 3.051 5.664 1.00 0.00 H new ATOM 0 HH TYR A 82 15.123 1.005 4.494 1.00 0.00 H new ATOM 1243 N VAL A 83 6.536 -0.952 6.839 1.00 0.00 N ATOM 1244 CA VAL A 83 5.134 -1.352 6.838 1.00 0.00 C ATOM 1245 C VAL A 83 4.249 -0.254 6.257 1.00 0.00 C ATOM 1246 O VAL A 83 3.992 0.760 6.907 1.00 0.00 O ATOM 1247 CB VAL A 83 4.646 -1.690 8.260 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.171 -2.063 8.243 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.481 -2.813 8.856 1.00 0.00 C ATOM 0 H VAL A 83 6.745 -0.148 7.431 1.00 0.00 H new ATOM 0 HA VAL A 83 5.060 -2.243 6.214 1.00 0.00 H new ATOM 0 HB VAL A 83 4.766 -0.806 8.887 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.844 -2.299 9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.588 -1.226 7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.023 -2.932 7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.123 -3.039 9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.394 -3.702 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.525 -2.504 8.904 1.00 0.00 H new ATOM 1259 N PHE A 84 3.786 -0.463 5.030 1.00 0.00 N ATOM 1260 CA PHE A 84 2.930 0.509 4.359 1.00 0.00 C ATOM 1261 C PHE A 84 1.457 0.163 4.556 1.00 0.00 C ATOM 1262 O PHE A 84 0.997 -0.904 4.147 1.00 0.00 O ATOM 1263 CB PHE A 84 3.257 0.564 2.866 1.00 0.00 C ATOM 1264 CG PHE A 84 4.731 0.581 2.575 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.425 1.779 2.514 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.422 -0.601 2.364 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.781 1.797 2.246 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.778 -0.589 2.096 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.459 0.611 2.038 1.00 0.00 C ATOM 0 H PHE A 84 3.989 -1.297 4.479 1.00 0.00 H new ATOM 0 HA PHE A 84 3.118 1.488 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.807 -0.297 2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.799 1.454 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.901 2.709 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.895 -1.543 2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.310 2.737 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.305 -1.518 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.519 0.623 1.831 1.00 0.00 H new ATOM 1279 N LYS A 85 0.721 1.073 5.186 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.700 0.867 5.438 1.00 0.00 C ATOM 1281 C LYS A 85 -1.548 1.747 4.524 1.00 0.00 C ATOM 1282 O LYS A 85 -1.594 2.966 4.688 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.029 1.168 6.902 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.504 1.030 7.235 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.845 1.712 8.549 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.802 3.227 8.418 1.00 0.00 C ATOM 1287 NZ LYS A 85 -1.454 3.773 8.739 1.00 0.00 N ATOM 0 H LYS A 85 1.086 1.961 5.531 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.933 -0.177 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.457 0.495 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.705 2.182 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.101 1.464 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.768 -0.026 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.838 1.402 8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.143 1.392 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.077 3.512 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.542 3.670 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.556 4.695 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.954 3.115 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.909 3.891 7.861 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.218 1.120 3.562 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.066 1.846 2.624 1.00 0.00 C ATOM 1303 C VAL A 86 -4.488 1.979 3.159 1.00 0.00 C ATOM 1304 O VAL A 86 -5.192 0.985 3.339 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.109 1.150 1.251 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.148 -0.361 1.420 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.303 1.636 0.445 1.00 0.00 C ATOM 0 H VAL A 86 -2.190 0.111 3.412 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.630 2.838 2.506 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.202 1.407 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.178 -0.836 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.258 -0.690 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.036 -0.641 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.318 1.134 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.223 1.411 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.226 2.713 0.294 1.00 0.00 H new ATOM 1317 N THR A 87 -4.906 3.216 3.410 1.00 0.00 N ATOM 1318 CA THR A 87 -6.244 3.480 3.925 1.00 0.00 C ATOM 1319 C THR A 87 -7.195 3.883 2.803 1.00 0.00 C ATOM 1320 O THR A 87 -7.075 4.968 2.234 1.00 0.00 O ATOM 1321 CB THR A 87 -6.226 4.592 4.991 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.086 4.436 5.842 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.497 4.560 5.827 1.00 0.00 C ATOM 0 H THR A 87 -4.337 4.050 3.265 1.00 0.00 H new ATOM 0 HA THR A 87 -6.596 2.555 4.381 1.00 0.00 H new ATOM 0 HB THR A 87 -6.169 5.554 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.081 5.148 6.516 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.462 5.354 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.362 4.708 5.180 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.579 3.595 6.328 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.140 3.003 2.490 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.113 3.268 1.437 1.00 0.00 C ATOM 1333 C VAL A 88 -10.536 3.245 1.985 1.00 0.00 C ATOM 1334 O VAL A 88 -11.015 2.213 2.452 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.998 2.240 0.295 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.142 2.410 -0.693 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.654 2.371 -0.405 1.00 0.00 C ATOM 0 H VAL A 88 -8.253 2.100 2.951 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.893 4.261 1.046 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.064 1.239 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.044 1.676 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.092 2.263 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.111 3.414 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.589 1.638 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.556 3.374 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.852 2.195 0.312 1.00 0.00 H new ATOM 1347 N SER A 89 -11.205 4.392 1.923 1.00 0.00 N ATOM 1348 CA SER A 89 -12.573 4.505 2.417 1.00 0.00 C ATOM 1349 C SER A 89 -13.417 5.368 1.484 1.00 0.00 C ATOM 1350 O SER A 89 -12.888 6.173 0.717 1.00 0.00 O ATOM 1351 CB SER A 89 -12.582 5.099 3.827 1.00 0.00 C ATOM 1352 OG SER A 89 -11.941 6.363 3.852 1.00 0.00 O ATOM 0 H SER A 89 -10.823 5.255 1.536 1.00 0.00 H new ATOM 0 HA SER A 89 -13.005 3.505 2.450 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.610 5.202 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.079 4.419 4.515 1.00 0.00 H new ATOM 0 HG SER A 89 -11.962 6.722 4.764 1.00 0.00 H new ATOM 1358 N SER A 90 -14.733 5.194 1.556 1.00 0.00 N ATOM 1359 CA SER A 90 -15.652 5.954 0.716 1.00 0.00 C ATOM 1360 C SER A 90 -16.757 6.588 1.555 1.00 0.00 C ATOM 1361 O SER A 90 -16.779 6.450 2.778 1.00 0.00 O ATOM 1362 CB SER A 90 -16.264 5.049 -0.355 1.00 0.00 C ATOM 1363 OG SER A 90 -17.306 4.254 0.185 1.00 0.00 O ATOM 0 H SER A 90 -15.187 4.534 2.187 1.00 0.00 H new ATOM 0 HA SER A 90 -15.088 6.750 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.652 5.658 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.492 4.405 -0.776 1.00 0.00 H new ATOM 0 HG SER A 90 -17.618 3.619 -0.493 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.672 7.284 0.888 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.780 7.940 1.572 1.00 0.00 C ATOM 1371 C GLU A 91 -19.472 6.979 2.534 1.00 0.00 C ATOM 1372 O GLU A 91 -19.630 7.275 3.717 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.790 8.477 0.556 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.348 7.410 -0.370 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.984 7.993 -1.617 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -22.155 8.420 -1.542 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.309 8.022 -2.668 1.00 0.00 O ATOM 0 H GLU A 91 -17.668 7.408 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.376 8.773 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.614 8.949 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.313 9.252 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.546 6.730 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.089 6.818 0.168 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.883 5.826 2.015 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.559 4.821 2.827 1.00 0.00 C ATOM 1386 C ASN A 92 -19.737 3.538 2.900 1.00 0.00 C ATOM 1387 O ASN A 92 -20.284 2.436 2.884 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.945 4.519 2.253 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.875 3.749 0.948 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -21.616 4.322 -0.111 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.107 2.444 1.019 1.00 0.00 N ATOM 0 H ASN A 92 -19.760 5.565 1.037 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.669 5.219 3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.519 3.945 2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.480 5.455 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.074 1.874 0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.318 2.012 1.918 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.419 3.690 2.982 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.521 2.544 3.061 1.00 0.00 C ATOM 1400 C ALA A 93 -16.194 2.930 3.705 1.00 0.00 C ATOM 1401 O ALA A 93 -15.845 4.109 3.772 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.288 1.960 1.676 1.00 0.00 C ATOM 0 H ALA A 93 -17.950 4.595 2.995 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.992 1.787 3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.616 1.105 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.239 1.638 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.842 2.718 1.032 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.458 1.930 4.178 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.170 2.166 4.819 1.00 0.00 C ATOM 1410 C PHE A 94 -13.330 0.892 4.836 1.00 0.00 C ATOM 1411 O PHE A 94 -13.832 -0.192 5.132 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.372 2.676 6.247 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.092 2.812 7.022 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -12.593 1.746 7.753 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.388 4.005 7.019 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -11.416 1.868 8.467 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.210 4.133 7.731 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.723 3.063 8.455 1.00 0.00 C ATOM 0 H PHE A 94 -15.731 0.949 4.129 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.639 2.923 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.870 3.645 6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.038 1.995 6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.130 0.809 7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.764 4.845 6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.038 1.030 9.034 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.671 5.069 7.721 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.802 3.160 9.011 1.00 0.00 H new ATOM 1428 N GLY A 95 -12.047 1.031 4.516 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.158 -0.116 4.500 1.00 0.00 C ATOM 1430 C GLY A 95 -9.721 0.260 4.806 1.00 0.00 C ATOM 1431 O GLY A 95 -9.337 1.421 4.677 1.00 0.00 O ATOM 0 H GLY A 95 -11.608 1.917 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.502 -0.849 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.205 -0.595 3.522 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.928 -0.725 5.215 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.527 -0.491 5.543 1.00 0.00 C ATOM 1437 C GLU A 96 -6.686 -1.731 5.257 1.00 0.00 C ATOM 1438 O GLU A 96 -7.152 -2.860 5.411 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.384 -0.091 7.013 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.789 1.346 7.295 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.207 1.871 8.594 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -7.230 1.129 9.598 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -6.729 3.025 8.605 1.00 0.00 O ATOM 0 H GLU A 96 -9.232 -1.692 5.327 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.165 0.324 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.993 -0.758 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.348 -0.235 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.461 1.980 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.876 1.412 7.335 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.442 -1.513 4.840 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.556 -2.622 4.538 1.00 0.00 C ATOM 1452 C GLY A 97 -3.177 -2.442 5.141 1.00 0.00 C ATOM 1453 O GLY A 97 -2.790 -1.331 5.504 1.00 0.00 O ATOM 0 H GLY A 97 -5.032 -0.588 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.995 -3.547 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.466 -2.727 3.457 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.433 -3.538 5.250 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.089 -3.497 5.816 1.00 0.00 C ATOM 1459 C PHE A 98 -0.164 -4.470 5.091 1.00 0.00 C ATOM 1460 O PHE A 98 -0.469 -5.655 4.962 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.131 -3.831 7.309 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.803 -2.776 8.141 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.184 -2.675 8.173 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -1.052 -1.885 8.891 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.804 -1.705 8.937 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.667 -0.912 9.657 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.045 -0.823 9.681 1.00 0.00 C ATOM 0 H PHE A 98 -2.738 -4.465 4.954 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.698 -2.488 5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.653 -4.778 7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.112 -3.973 7.670 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.783 -3.362 7.594 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.026 -1.951 8.877 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.882 -1.637 8.952 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.071 -0.222 10.236 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.528 -0.065 10.280 1.00 0.00 H new ATOM 1477 N VAL A 99 0.969 -3.960 4.620 1.00 0.00 N ATOM 1478 CA VAL A 99 1.941 -4.782 3.909 1.00 0.00 C ATOM 1479 C VAL A 99 3.344 -4.587 4.472 1.00 0.00 C ATOM 1480 O VAL A 99 3.743 -3.470 4.798 1.00 0.00 O ATOM 1481 CB VAL A 99 1.954 -4.458 2.403 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.549 -3.080 2.158 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.724 -5.524 1.636 1.00 0.00 C ATOM 0 H VAL A 99 1.237 -2.981 4.718 1.00 0.00 H new ATOM 0 HA VAL A 99 1.639 -5.820 4.048 1.00 0.00 H new ATOM 0 HB VAL A 99 0.926 -4.453 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.550 -2.869 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.953 -2.329 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.572 -3.053 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.723 -5.280 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.751 -5.563 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.250 -6.494 1.786 1.00 0.00 H new ATOM 1493 N ASN A 100 4.088 -5.682 4.584 1.00 0.00 N ATOM 1494 CA ASN A 100 5.448 -5.632 5.109 1.00 0.00 C ATOM 1495 C ASN A 100 6.468 -5.861 3.998 1.00 0.00 C ATOM 1496 O ASN A 100 6.248 -6.668 3.095 1.00 0.00 O ATOM 1497 CB ASN A 100 5.631 -6.679 6.209 1.00 0.00 C ATOM 1498 CG ASN A 100 6.694 -6.280 7.215 1.00 0.00 C ATOM 1499 OD1 ASN A 100 7.553 -7.083 7.579 1.00 0.00 O ATOM 1500 ND2 ASN A 100 6.639 -5.034 7.670 1.00 0.00 N ATOM 0 H ASN A 100 3.772 -6.615 4.318 1.00 0.00 H new ATOM 0 HA ASN A 100 5.612 -4.640 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.683 -6.829 6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.902 -7.633 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.327 -4.708 8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.909 -4.402 7.340 1.00 0.00 H new ATOM 1507 N VAL A 101 7.586 -5.146 4.072 1.00 0.00 N ATOM 1508 CA VAL A 101 8.642 -5.272 3.074 1.00 0.00 C ATOM 1509 C VAL A 101 10.018 -5.090 3.704 1.00 0.00 C ATOM 1510 O VAL A 101 10.242 -4.157 4.476 1.00 0.00 O ATOM 1511 CB VAL A 101 8.469 -4.243 1.940 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.593 -4.375 0.924 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.112 -4.411 1.273 1.00 0.00 C ATOM 0 H VAL A 101 7.784 -4.473 4.813 1.00 0.00 H new ATOM 0 HA VAL A 101 8.566 -6.277 2.658 1.00 0.00 H new ATOM 0 HB VAL A 101 8.516 -3.242 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.454 -3.641 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.550 -4.202 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.581 -5.378 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.006 -3.677 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.033 -5.415 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.323 -4.262 2.010 1.00 0.00 H new ATOM 1523 N THR A 102 10.940 -5.988 3.370 1.00 0.00 N ATOM 1524 CA THR A 102 12.295 -5.928 3.903 1.00 0.00 C ATOM 1525 C THR A 102 13.307 -5.639 2.800 1.00 0.00 C ATOM 1526 O THR A 102 13.092 -5.987 1.639 1.00 0.00 O ATOM 1527 CB THR A 102 12.680 -7.243 4.606 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.646 -7.633 5.517 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.994 -7.089 5.358 1.00 0.00 C ATOM 0 H THR A 102 10.772 -6.766 2.732 1.00 0.00 H new ATOM 0 HA THR A 102 12.313 -5.117 4.631 1.00 0.00 H new ATOM 0 HB THR A 102 12.803 -8.014 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.898 -8.471 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.246 -8.030 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.785 -6.821 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.894 -6.306 6.109 1.00 0.00 H new ATOM 1537 N VAL A 103 14.413 -5.002 3.171 1.00 0.00 N ATOM 1538 CA VAL A 103 15.460 -4.668 2.213 1.00 0.00 C ATOM 1539 C VAL A 103 16.797 -5.274 2.627 1.00 0.00 C ATOM 1540 O VAL A 103 17.501 -4.731 3.478 1.00 0.00 O ATOM 1541 CB VAL A 103 15.623 -3.143 2.069 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.787 -2.815 1.147 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.335 -2.516 1.559 1.00 0.00 C ATOM 0 H VAL A 103 14.607 -4.707 4.128 1.00 0.00 H new ATOM 0 HA VAL A 103 15.156 -5.086 1.253 1.00 0.00 H new ATOM 0 HB VAL A 103 15.840 -2.724 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.887 -1.733 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.706 -3.231 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.604 -3.245 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.468 -1.438 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.085 -2.939 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.527 -2.721 2.262 1.00 0.00 H new ATOM 1553 N LYS A 104 17.141 -6.403 2.018 1.00 0.00 N ATOM 1554 CA LYS A 104 18.395 -7.084 2.320 1.00 0.00 C ATOM 1555 C LYS A 104 19.567 -6.402 1.621 1.00 0.00 C ATOM 1556 O LYS A 104 19.461 -5.947 0.482 1.00 0.00 O ATOM 1557 CB LYS A 104 18.317 -8.552 1.894 1.00 0.00 C ATOM 1558 CG LYS A 104 17.134 -9.296 2.489 1.00 0.00 C ATOM 1559 CD LYS A 104 17.375 -9.652 3.947 1.00 0.00 C ATOM 1560 CE LYS A 104 16.342 -10.645 4.456 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.762 -12.054 4.216 1.00 0.00 N ATOM 0 H LYS A 104 16.569 -6.866 1.312 1.00 0.00 H new ATOM 0 HA LYS A 104 18.558 -7.032 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.258 -8.603 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.238 -9.056 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.238 -8.681 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.950 -10.205 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.374 -10.074 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.342 -8.747 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.184 -10.490 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.388 -10.461 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.032 -12.700 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.888 -12.210 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.660 -12.237 4.708 1.00 0.00 H new ATOM 1575 N PRO A 105 20.711 -6.331 2.317 1.00 0.00 N ATOM 1576 CA PRO A 105 21.926 -5.708 1.781 1.00 0.00 C ATOM 1577 C PRO A 105 22.547 -6.526 0.654 1.00 0.00 C ATOM 1578 O PRO A 105 22.392 -7.745 0.600 1.00 0.00 O ATOM 1579 CB PRO A 105 22.864 -5.664 2.989 1.00 0.00 C ATOM 1580 CG PRO A 105 22.397 -6.769 3.872 1.00 0.00 C ATOM 1581 CD PRO A 105 20.909 -6.853 3.679 1.00 0.00 C ATOM 0 HA PRO A 105 21.725 -4.730 1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.902 -5.808 2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.810 -4.701 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.879 -7.710 3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.644 -6.567 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.549 -7.878 3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.374 -6.258 4.419 1.00 0.00 H new ATOM 1589 N ALA A 106 23.251 -5.846 -0.245 1.00 0.00 N ATOM 1590 CA ALA A 106 23.898 -6.510 -1.370 1.00 0.00 C ATOM 1591 C ALA A 106 24.609 -7.782 -0.922 1.00 0.00 C ATOM 1592 O ALA A 106 25.725 -7.731 -0.405 1.00 0.00 O ATOM 1593 CB ALA A 106 24.880 -5.565 -2.047 1.00 0.00 C ATOM 0 H ALA A 106 23.388 -4.836 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 106 23.126 -6.790 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.356 -6.074 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.347 -4.686 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.641 -5.257 -1.330 1.00 0.00 H new